USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 538 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 31 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 32 HIS : no HE2:sc= 0.236 K(o=1.3,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -158:sc=0.000818 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -22:sc= 1.18 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.8!) USER MOD Single : A 17 CYS SG : rot -83:sc=0.000698 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.7!) USER MOD Single : A 26 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 40 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 1.13 K(o=1.1,f=-0.32) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= 0.644 (180deg=0.385) USER MOD Single : A 59 SER OG : rot 180:sc= 0.112 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.589 13.278 11.042 1.00 0.00 N ATOM 2 CA GLY A 1 -3.252 12.750 12.369 1.00 0.00 C ATOM 3 C GLY A 1 -2.209 13.642 13.025 1.00 0.00 C ATOM 4 O GLY A 1 -2.376 14.864 13.043 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.523 12.923 10.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.609 14.317 11.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.874 12.968 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.146 12.702 12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.871 11.733 12.280 1.00 0.00 H new ATOM 8 N SER A 2 -1.128 13.053 13.543 1.00 0.00 N ATOM 9 CA SER A 2 -0.031 13.720 14.237 1.00 0.00 C ATOM 10 C SER A 2 1.206 13.784 13.337 1.00 0.00 C ATOM 11 O SER A 2 1.608 14.883 12.951 1.00 0.00 O ATOM 12 CB SER A 2 0.265 12.986 15.548 1.00 0.00 C ATOM 13 OG SER A 2 -0.902 12.843 16.334 1.00 0.00 O ATOM 0 H SER A 2 -0.990 12.044 13.485 1.00 0.00 H new ATOM 0 HA SER A 2 -0.317 14.745 14.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.682 12.003 15.330 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.020 13.534 16.111 1.00 0.00 H new ATOM 0 HG SER A 2 -0.682 12.369 17.163 1.00 0.00 H new ATOM 19 N SER A 3 1.791 12.638 12.972 1.00 0.00 N ATOM 20 CA SER A 3 2.980 12.547 12.127 1.00 0.00 C ATOM 21 C SER A 3 2.634 11.786 10.842 1.00 0.00 C ATOM 22 O SER A 3 1.474 11.425 10.605 1.00 0.00 O ATOM 23 CB SER A 3 4.116 11.884 12.929 1.00 0.00 C ATOM 24 OG SER A 3 5.370 12.011 12.275 1.00 0.00 O ATOM 0 H SER A 3 1.439 11.727 13.265 1.00 0.00 H new ATOM 0 HA SER A 3 3.326 13.537 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.175 12.338 13.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.888 10.828 13.076 1.00 0.00 H new ATOM 0 HG SER A 3 6.065 11.580 12.815 1.00 0.00 H new ATOM 30 N GLY A 4 3.646 11.564 10.008 1.00 0.00 N ATOM 31 CA GLY A 4 3.643 10.768 8.794 1.00 0.00 C ATOM 32 C GLY A 4 4.757 11.247 7.872 1.00 0.00 C ATOM 33 O GLY A 4 5.274 12.354 8.056 1.00 0.00 O ATOM 0 H GLY A 4 4.564 11.973 10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.784 9.715 9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.679 10.853 8.292 1.00 0.00 H new ATOM 37 N SER A 5 5.093 10.456 6.860 1.00 0.00 N ATOM 38 CA SER A 5 5.988 10.822 5.765 1.00 0.00 C ATOM 39 C SER A 5 5.353 10.335 4.458 1.00 0.00 C ATOM 40 O SER A 5 5.915 9.517 3.735 1.00 0.00 O ATOM 41 CB SER A 5 7.408 10.277 6.008 1.00 0.00 C ATOM 42 OG SER A 5 8.041 10.966 7.081 1.00 0.00 O ATOM 0 H SER A 5 4.736 9.504 6.775 1.00 0.00 H new ATOM 0 HA SER A 5 6.111 11.903 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.359 9.212 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.003 10.384 5.101 1.00 0.00 H new ATOM 0 HG SER A 5 8.940 10.602 7.218 1.00 0.00 H new ATOM 48 N SER A 6 4.152 10.848 4.172 1.00 0.00 N ATOM 49 CA SER A 6 3.248 10.399 3.117 1.00 0.00 C ATOM 50 C SER A 6 2.888 8.913 3.240 1.00 0.00 C ATOM 51 O SER A 6 3.182 8.288 4.264 1.00 0.00 O ATOM 52 CB SER A 6 3.773 10.823 1.748 1.00 0.00 C ATOM 53 OG SER A 6 4.859 10.052 1.287 1.00 0.00 O ATOM 0 H SER A 6 3.767 11.630 4.701 1.00 0.00 H new ATOM 0 HA SER A 6 2.290 10.903 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.961 10.759 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.077 11.869 1.795 1.00 0.00 H new ATOM 0 HG SER A 6 5.308 9.631 2.049 1.00 0.00 H new ATOM 59 N GLY A 7 2.226 8.339 2.234 1.00 0.00 N ATOM 60 CA GLY A 7 1.910 6.923 2.204 1.00 0.00 C ATOM 61 C GLY A 7 0.699 6.618 3.074 1.00 0.00 C ATOM 62 O GLY A 7 -0.403 6.491 2.540 1.00 0.00 O ATOM 0 H GLY A 7 1.895 8.852 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.713 6.612 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.767 6.348 2.553 1.00 0.00 H new ATOM 66 N VAL A 8 0.936 6.523 4.382 1.00 0.00 N ATOM 67 CA VAL A 8 0.047 6.449 5.529 1.00 0.00 C ATOM 68 C VAL A 8 -0.342 4.995 5.823 1.00 0.00 C ATOM 69 O VAL A 8 -0.501 4.198 4.897 1.00 0.00 O ATOM 70 CB VAL A 8 -1.122 7.453 5.367 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.446 6.793 5.004 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.264 8.296 6.629 1.00 0.00 C ATOM 0 H VAL A 8 1.904 6.492 4.701 1.00 0.00 H new ATOM 0 HA VAL A 8 0.559 6.771 6.436 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.869 8.095 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.218 7.556 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.340 6.261 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.728 6.089 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.088 8.999 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.466 7.646 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.340 8.847 6.804 1.00 0.00 H new ATOM 82 N GLU A 9 -0.555 4.662 7.102 1.00 0.00 N ATOM 83 CA GLU A 9 -0.991 3.340 7.556 1.00 0.00 C ATOM 84 C GLU A 9 0.044 2.274 7.179 1.00 0.00 C ATOM 85 O GLU A 9 1.200 2.361 7.608 1.00 0.00 O ATOM 86 CB GLU A 9 -2.454 3.113 7.124 1.00 0.00 C ATOM 87 CG GLU A 9 -3.188 2.019 7.908 1.00 0.00 C ATOM 88 CD GLU A 9 -4.684 2.098 7.595 1.00 0.00 C ATOM 89 OE1 GLU A 9 -5.091 1.571 6.537 1.00 0.00 O ATOM 90 OE2 GLU A 9 -5.453 2.691 8.388 1.00 0.00 O ATOM 0 H GLU A 9 -0.425 5.323 7.868 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.023 3.262 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.001 4.049 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.471 2.856 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.799 1.037 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.020 2.146 8.978 1.00 0.00 H new ATOM 97 N ASN A 10 -0.366 1.260 6.433 1.00 0.00 N ATOM 98 CA ASN A 10 0.463 0.161 5.946 1.00 0.00 C ATOM 99 C ASN A 10 0.714 0.364 4.456 1.00 0.00 C ATOM 100 O ASN A 10 0.186 1.310 3.872 1.00 0.00 O ATOM 101 CB ASN A 10 -0.251 -1.162 6.250 1.00 0.00 C ATOM 102 CG ASN A 10 -0.025 -1.545 7.699 1.00 0.00 C ATOM 103 OD1 ASN A 10 -0.876 -1.327 8.559 1.00 0.00 O ATOM 104 ND2 ASN A 10 1.145 -2.068 8.003 1.00 0.00 N ATOM 0 H ASN A 10 -1.337 1.174 6.133 1.00 0.00 H new ATOM 0 HA ASN A 10 1.433 0.135 6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.318 -1.064 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.124 -1.947 5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.363 -2.302 8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.833 -2.239 7.270 1.00 0.00 H new ATOM 111 N LEU A 11 1.503 -0.490 3.795 1.00 0.00 N ATOM 112 CA LEU A 11 1.621 -0.400 2.348 1.00 0.00 C ATOM 113 C LEU A 11 0.237 -0.726 1.770 1.00 0.00 C ATOM 114 O LEU A 11 -0.475 -1.572 2.292 1.00 0.00 O ATOM 115 CB LEU A 11 2.757 -1.328 1.869 1.00 0.00 C ATOM 116 CG LEU A 11 2.734 -1.585 0.372 1.00 0.00 C ATOM 117 CD1 LEU A 11 3.002 -0.308 -0.428 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.790 -2.649 0.068 1.00 0.00 C ATOM 0 H LEU A 11 2.053 -1.230 4.230 1.00 0.00 H new ATOM 0 HA LEU A 11 1.901 0.594 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.716 -0.886 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.685 -2.280 2.395 1.00 0.00 H new ATOM 0 HG LEU A 11 1.744 -1.931 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.977 -0.534 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.237 0.434 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.983 0.088 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.799 -2.857 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.771 -2.286 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.553 -3.563 0.613 1.00 0.00 H new ATOM 130 N LYS A 12 -0.164 -0.084 0.676 1.00 0.00 N ATOM 131 CA LYS A 12 -1.336 -0.453 -0.103 1.00 0.00 C ATOM 132 C LYS A 12 -0.866 -0.707 -1.525 1.00 0.00 C ATOM 133 O LYS A 12 0.146 -0.155 -1.974 1.00 0.00 O ATOM 134 CB LYS A 12 -2.355 0.695 -0.038 1.00 0.00 C ATOM 135 CG LYS A 12 -3.249 0.646 1.219 1.00 0.00 C ATOM 136 CD LYS A 12 -4.709 0.448 0.795 1.00 0.00 C ATOM 137 CE LYS A 12 -5.708 0.219 1.937 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.778 1.296 2.939 1.00 0.00 N ATOM 0 H LYS A 12 0.330 0.725 0.300 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.822 -1.349 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.823 1.646 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.986 0.662 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.934 -0.168 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.146 1.569 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.026 1.324 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.759 -0.404 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.700 0.080 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.448 -0.710 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.479 1.048 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.846 1.418 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.059 2.184 2.476 1.00 0.00 H new ATOM 152 N ALA A 13 -1.581 -1.572 -2.237 1.00 0.00 N ATOM 153 CA ALA A 13 -1.233 -1.970 -3.587 1.00 0.00 C ATOM 154 C ALA A 13 -2.500 -2.339 -4.342 1.00 0.00 C ATOM 155 O ALA A 13 -3.313 -3.131 -3.857 1.00 0.00 O ATOM 156 CB ALA A 13 -0.246 -3.120 -3.544 1.00 0.00 C ATOM 0 H ALA A 13 -2.427 -2.019 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.753 -1.145 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.013 -3.416 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.655 -2.807 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.695 -3.966 -3.023 1.00 0.00 H new ATOM 162 N GLN A 14 -2.668 -1.747 -5.522 1.00 0.00 N ATOM 163 CA GLN A 14 -3.824 -1.955 -6.368 1.00 0.00 C ATOM 164 C GLN A 14 -3.581 -3.199 -7.230 1.00 0.00 C ATOM 165 O GLN A 14 -2.553 -3.296 -7.905 1.00 0.00 O ATOM 166 CB GLN A 14 -4.049 -0.679 -7.192 1.00 0.00 C ATOM 167 CG GLN A 14 -5.406 -0.722 -7.904 1.00 0.00 C ATOM 168 CD GLN A 14 -5.676 0.545 -8.708 1.00 0.00 C ATOM 169 OE1 GLN A 14 -5.812 1.623 -8.142 1.00 0.00 O ATOM 170 NE2 GLN A 14 -5.751 0.483 -10.024 1.00 0.00 N ATOM 0 H GLN A 14 -1.988 -1.098 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.731 -2.138 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.003 0.193 -6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.251 -0.570 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.438 -1.585 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.197 -0.858 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.638 -0.412 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.922 1.330 -10.566 1.00 0.00 H new ATOM 179 N ALA A 15 -4.497 -4.166 -7.201 1.00 0.00 N ATOM 180 CA ALA A 15 -4.478 -5.340 -8.060 1.00 0.00 C ATOM 181 C ALA A 15 -4.567 -4.940 -9.537 1.00 0.00 C ATOM 182 O ALA A 15 -5.242 -3.978 -9.906 1.00 0.00 O ATOM 183 CB ALA A 15 -5.608 -6.287 -7.649 1.00 0.00 C ATOM 0 H ALA A 15 -5.292 -4.150 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.531 -5.866 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.596 -7.168 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.468 -6.592 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.566 -5.777 -7.751 1.00 0.00 H new ATOM 189 N LEU A 16 -3.884 -5.682 -10.406 1.00 0.00 N ATOM 190 CA LEU A 16 -3.798 -5.468 -11.855 1.00 0.00 C ATOM 191 C LEU A 16 -4.599 -6.503 -12.641 1.00 0.00 C ATOM 192 O LEU A 16 -4.660 -6.401 -13.866 1.00 0.00 O ATOM 193 CB LEU A 16 -2.340 -5.547 -12.356 1.00 0.00 C ATOM 194 CG LEU A 16 -1.317 -4.648 -11.655 1.00 0.00 C ATOM 195 CD1 LEU A 16 0.044 -4.750 -12.342 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.757 -3.190 -11.573 1.00 0.00 C ATOM 0 H LEU A 16 -3.345 -6.494 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.209 -4.473 -12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.005 -6.580 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.333 -5.305 -13.419 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.238 -5.011 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.759 -4.105 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.394 -5.781 -12.304 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.049 -4.437 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.989 -2.606 -11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.906 -2.798 -12.579 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.691 -3.123 -11.016 1.00 0.00 H new ATOM 208 N CYS A 17 -5.152 -7.517 -11.978 1.00 0.00 N ATOM 209 CA CYS A 17 -5.908 -8.619 -12.555 1.00 0.00 C ATOM 210 C CYS A 17 -6.941 -9.043 -11.507 1.00 0.00 C ATOM 211 O CYS A 17 -6.823 -8.645 -10.349 1.00 0.00 O ATOM 212 CB CYS A 17 -4.931 -9.759 -12.894 1.00 0.00 C ATOM 213 SG CYS A 17 -5.633 -10.895 -14.121 1.00 0.00 S ATOM 0 H CYS A 17 -5.078 -7.593 -10.964 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.421 -8.340 -13.475 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.000 -9.340 -13.276 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.684 -10.310 -11.986 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.406 -11.754 -13.525 1.00 0.00 H new ATOM 219 N SER A 18 -7.924 -9.850 -11.891 1.00 0.00 N ATOM 220 CA SER A 18 -8.775 -10.581 -10.962 1.00 0.00 C ATOM 221 C SER A 18 -8.082 -11.901 -10.616 1.00 0.00 C ATOM 222 O SER A 18 -7.386 -12.471 -11.462 1.00 0.00 O ATOM 223 CB SER A 18 -10.178 -10.776 -11.573 1.00 0.00 C ATOM 224 OG SER A 18 -10.165 -10.954 -12.983 1.00 0.00 O ATOM 0 H SER A 18 -8.155 -10.016 -12.871 1.00 0.00 H new ATOM 0 HA SER A 18 -8.921 -10.023 -10.037 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.649 -11.643 -11.110 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.794 -9.910 -11.330 1.00 0.00 H new ATOM 0 HG SER A 18 -11.082 -11.074 -13.306 1.00 0.00 H new ATOM 230 N TRP A 19 -8.240 -12.394 -9.385 1.00 0.00 N ATOM 231 CA TRP A 19 -7.760 -13.711 -8.985 1.00 0.00 C ATOM 232 C TRP A 19 -8.528 -14.209 -7.752 1.00 0.00 C ATOM 233 O TRP A 19 -9.173 -13.426 -7.054 1.00 0.00 O ATOM 234 CB TRP A 19 -6.244 -13.658 -8.728 1.00 0.00 C ATOM 235 CG TRP A 19 -5.628 -14.993 -8.464 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.772 -16.084 -9.247 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.881 -15.433 -7.294 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.219 -17.179 -8.621 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.645 -16.834 -7.416 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.404 -14.796 -6.130 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.941 -17.555 -6.441 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.711 -15.517 -5.140 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.455 -16.888 -5.309 1.00 0.00 C ATOM 0 H TRP A 19 -8.708 -11.884 -8.636 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.941 -14.422 -9.791 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.755 -13.207 -9.591 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.052 -13.005 -7.876 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.248 -16.096 -10.216 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.232 -18.126 -9.001 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.573 -13.738 -5.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.775 -18.615 -6.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.374 -15.014 -4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.884 -17.427 -4.567 1.00 0.00 H new ATOM 254 N THR A 20 -8.439 -15.507 -7.469 1.00 0.00 N ATOM 255 CA THR A 20 -9.240 -16.239 -6.495 1.00 0.00 C ATOM 256 C THR A 20 -8.326 -17.052 -5.576 1.00 0.00 C ATOM 257 O THR A 20 -7.178 -17.333 -5.926 1.00 0.00 O ATOM 258 CB THR A 20 -10.245 -17.132 -7.247 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.623 -17.748 -8.365 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.425 -16.293 -7.743 1.00 0.00 C ATOM 0 H THR A 20 -7.766 -16.110 -7.942 1.00 0.00 H new ATOM 0 HA THR A 20 -9.801 -15.548 -5.865 1.00 0.00 H new ATOM 0 HB THR A 20 -10.598 -17.899 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.274 -18.313 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.130 -16.934 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.925 -15.830 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.062 -15.517 -8.417 1.00 0.00 H new ATOM 268 N ALA A 21 -8.818 -17.429 -4.394 1.00 0.00 N ATOM 269 CA ALA A 21 -8.021 -18.205 -3.458 1.00 0.00 C ATOM 270 C ALA A 21 -7.841 -19.634 -3.975 1.00 0.00 C ATOM 271 O ALA A 21 -8.581 -20.092 -4.846 1.00 0.00 O ATOM 272 CB ALA A 21 -8.684 -18.168 -2.077 1.00 0.00 C ATOM 0 H ALA A 21 -9.759 -17.208 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.025 -17.771 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.089 -18.749 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.749 -17.136 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.686 -18.593 -2.143 1.00 0.00 H new ATOM 278 N LYS A 22 -6.831 -20.329 -3.444 1.00 0.00 N ATOM 279 CA LYS A 22 -6.444 -21.681 -3.853 1.00 0.00 C ATOM 280 C LYS A 22 -6.149 -22.514 -2.618 1.00 0.00 C ATOM 281 O LYS A 22 -6.580 -23.664 -2.549 1.00 0.00 O ATOM 282 CB LYS A 22 -5.199 -21.681 -4.763 1.00 0.00 C ATOM 283 CG LYS A 22 -5.295 -20.932 -6.102 1.00 0.00 C ATOM 284 CD LYS A 22 -6.068 -21.626 -7.229 1.00 0.00 C ATOM 285 CE LYS A 22 -7.562 -21.300 -7.203 1.00 0.00 C ATOM 286 NZ LYS A 22 -8.269 -21.791 -8.400 1.00 0.00 N ATOM 0 H LYS A 22 -6.244 -19.956 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.275 -22.103 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.370 -21.254 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.939 -22.718 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.761 -19.964 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.282 -20.736 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.651 -21.325 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.933 -22.705 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.011 -21.741 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.694 -20.221 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.277 -21.545 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.861 -21.351 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.169 -22.824 -8.463 1.00 0.00 H new ATOM 300 N LYS A 23 -5.303 -22.010 -1.716 1.00 0.00 N ATOM 301 CA LYS A 23 -5.169 -22.525 -0.360 1.00 0.00 C ATOM 302 C LYS A 23 -5.970 -21.595 0.539 1.00 0.00 C ATOM 303 O LYS A 23 -6.249 -20.460 0.152 1.00 0.00 O ATOM 304 CB LYS A 23 -3.710 -22.518 0.120 1.00 0.00 C ATOM 305 CG LYS A 23 -2.695 -23.238 -0.779 1.00 0.00 C ATOM 306 CD LYS A 23 -1.316 -23.185 -0.095 1.00 0.00 C ATOM 307 CE LYS A 23 -0.233 -23.988 -0.828 1.00 0.00 C ATOM 308 NZ LYS A 23 1.131 -23.689 -0.327 1.00 0.00 N ATOM 0 H LYS A 23 -4.686 -21.222 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.522 -23.556 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.392 -21.482 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.673 -22.973 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.999 -24.272 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.651 -22.762 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.997 -22.145 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.410 -23.564 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.434 -25.053 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.281 -23.768 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.826 -24.256 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.336 -22.678 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.188 -23.923 0.685 1.00 0.00 H new ATOM 322 N ASP A 24 -6.231 -22.034 1.763 1.00 0.00 N ATOM 323 CA ASP A 24 -7.091 -21.354 2.728 1.00 0.00 C ATOM 324 C ASP A 24 -6.605 -19.932 2.956 1.00 0.00 C ATOM 325 O ASP A 24 -7.337 -18.973 2.723 1.00 0.00 O ATOM 326 CB ASP A 24 -7.143 -22.134 4.048 1.00 0.00 C ATOM 327 CG ASP A 24 -7.375 -23.613 3.782 1.00 0.00 C ATOM 328 OD1 ASP A 24 -8.550 -24.017 3.602 1.00 0.00 O ATOM 329 OD2 ASP A 24 -6.352 -24.316 3.606 1.00 0.00 O ATOM 0 H ASP A 24 -5.838 -22.902 2.126 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.102 -21.310 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.210 -21.999 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.941 -21.742 4.678 1.00 0.00 H new ATOM 334 N ASN A 25 -5.334 -19.782 3.329 1.00 0.00 N ATOM 335 CA ASN A 25 -4.738 -18.488 3.652 1.00 0.00 C ATOM 336 C ASN A 25 -4.365 -17.686 2.393 1.00 0.00 C ATOM 337 O ASN A 25 -3.361 -16.978 2.404 1.00 0.00 O ATOM 338 CB ASN A 25 -3.521 -18.692 4.579 1.00 0.00 C ATOM 339 CG ASN A 25 -3.151 -17.421 5.345 1.00 0.00 C ATOM 340 OD1 ASN A 25 -3.967 -16.536 5.583 1.00 0.00 O ATOM 341 ND2 ASN A 25 -1.915 -17.306 5.808 1.00 0.00 N ATOM 0 H ASN A 25 -4.684 -20.563 3.416 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.485 -17.893 4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.738 -19.490 5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.666 -19.017 3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.650 -16.488 6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.229 -18.036 5.616 1.00 0.00 H new ATOM 348 N HIS A 26 -5.071 -17.841 1.267 1.00 0.00 N ATOM 349 CA HIS A 26 -4.891 -17.008 0.076 1.00 0.00 C ATOM 350 C HIS A 26 -5.912 -15.874 0.063 1.00 0.00 C ATOM 351 O HIS A 26 -7.061 -16.040 0.477 1.00 0.00 O ATOM 352 CB HIS A 26 -5.060 -17.817 -1.213 1.00 0.00 C ATOM 353 CG HIS A 26 -3.926 -18.732 -1.580 1.00 0.00 C ATOM 354 ND1 HIS A 26 -3.700 -19.207 -2.850 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.909 -19.176 -0.778 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.577 -19.941 -2.821 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.059 -19.943 -1.583 1.00 0.00 N ATOM 0 H HIS A 26 -5.790 -18.556 1.158 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.877 -16.610 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.967 -18.415 -1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.217 -17.120 -2.036 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.282 -19.033 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.786 -18.973 0.276 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.152 -20.455 -3.670 1.00 0.00 H new ATOM 365 N LEU A 27 -5.488 -14.730 -0.465 1.00 0.00 N ATOM 366 CA LEU A 27 -6.330 -13.583 -0.763 1.00 0.00 C ATOM 367 C LEU A 27 -7.038 -13.845 -2.100 1.00 0.00 C ATOM 368 O LEU A 27 -6.646 -14.735 -2.857 1.00 0.00 O ATOM 369 CB LEU A 27 -5.406 -12.348 -0.800 1.00 0.00 C ATOM 370 CG LEU A 27 -6.003 -10.946 -0.591 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.678 -10.430 -1.852 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.915 -10.876 0.639 1.00 0.00 C ATOM 0 H LEU A 27 -4.509 -14.573 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.106 -13.411 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.638 -12.492 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.902 -12.347 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.171 -10.273 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.088 -9.437 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.948 -10.375 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.483 -11.107 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.311 -9.865 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.740 -11.578 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.344 -11.134 1.531 1.00 0.00 H new ATOM 384 N ASN A 28 -8.070 -13.067 -2.407 1.00 0.00 N ATOM 385 CA ASN A 28 -8.827 -13.077 -3.653 1.00 0.00 C ATOM 386 C ASN A 28 -9.273 -11.642 -3.911 1.00 0.00 C ATOM 387 O ASN A 28 -9.778 -10.997 -2.992 1.00 0.00 O ATOM 388 CB ASN A 28 -10.029 -14.030 -3.565 1.00 0.00 C ATOM 389 CG ASN A 28 -10.746 -14.048 -2.220 1.00 0.00 C ATOM 390 OD1 ASN A 28 -10.311 -14.906 -1.311 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 -11.708 -13.330 -1.977 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.422 -12.369 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.211 -13.440 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.747 -13.756 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.688 -15.041 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.042 -12.669 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.176 -13.393 -1.073 1.00 0.00 H new ATOM 398 N PHE A 29 -9.034 -11.136 -5.124 1.00 0.00 N ATOM 399 CA PHE A 29 -9.314 -9.753 -5.502 1.00 0.00 C ATOM 400 C PHE A 29 -9.812 -9.664 -6.935 1.00 0.00 C ATOM 401 O PHE A 29 -9.816 -10.641 -7.686 1.00 0.00 O ATOM 402 CB PHE A 29 -8.086 -8.829 -5.339 1.00 0.00 C ATOM 403 CG PHE A 29 -6.755 -9.341 -5.888 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.593 -9.641 -7.256 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.645 -9.481 -5.031 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.364 -10.116 -7.747 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.417 -9.956 -5.517 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.277 -10.286 -6.874 1.00 0.00 C ATOM 0 H PHE A 29 -8.633 -11.688 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.091 -9.410 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.310 -7.879 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.957 -8.621 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.422 -9.504 -7.934 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.740 -9.220 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.256 -10.350 -8.796 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.578 -10.068 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.338 -10.669 -7.245 1.00 0.00 H new ATOM 418 N SER A 30 -10.129 -8.445 -7.348 1.00 0.00 N ATOM 419 CA SER A 30 -10.510 -8.082 -8.684 1.00 0.00 C ATOM 420 C SER A 30 -9.599 -7.014 -9.291 1.00 0.00 C ATOM 421 O SER A 30 -8.718 -6.451 -8.641 1.00 0.00 O ATOM 422 CB SER A 30 -11.949 -7.639 -8.611 1.00 0.00 C ATOM 423 OG SER A 30 -12.779 -8.775 -8.702 1.00 0.00 O ATOM 0 H SER A 30 -10.123 -7.645 -6.715 1.00 0.00 H new ATOM 0 HA SER A 30 -10.402 -8.934 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.134 -7.110 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.171 -6.943 -9.420 1.00 0.00 H new ATOM 0 HG SER A 30 -13.718 -8.499 -8.654 1.00 0.00 H new ATOM 429 N LYS A 31 -9.789 -6.755 -10.585 1.00 0.00 N ATOM 430 CA LYS A 31 -8.957 -5.835 -11.340 1.00 0.00 C ATOM 431 C LYS A 31 -9.177 -4.413 -10.843 1.00 0.00 C ATOM 432 O LYS A 31 -10.307 -3.937 -10.746 1.00 0.00 O ATOM 433 CB LYS A 31 -9.260 -6.017 -12.830 1.00 0.00 C ATOM 434 CG LYS A 31 -8.352 -5.125 -13.682 1.00 0.00 C ATOM 435 CD LYS A 31 -7.897 -5.836 -14.954 1.00 0.00 C ATOM 436 CE LYS A 31 -6.959 -4.930 -15.754 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.682 -3.941 -16.576 1.00 0.00 N ATOM 0 H LYS A 31 -10.532 -7.184 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.898 -6.045 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.118 -7.061 -13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.304 -5.773 -13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.884 -4.211 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.480 -4.829 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.388 -6.765 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.762 -6.103 -15.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.293 -4.407 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.332 -5.544 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.025 -3.507 -17.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.451 -4.414 -17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.081 -3.203 -15.961 1.00 0.00 H new ATOM 451 N HIS A 32 -8.070 -3.736 -10.554 1.00 0.00 N ATOM 452 CA HIS A 32 -7.981 -2.396 -10.009 1.00 0.00 C ATOM 453 C HIS A 32 -8.526 -2.282 -8.581 1.00 0.00 C ATOM 454 O HIS A 32 -8.693 -1.166 -8.084 1.00 0.00 O ATOM 455 CB HIS A 32 -8.563 -1.339 -10.956 1.00 0.00 C ATOM 456 CG HIS A 32 -8.168 -1.480 -12.407 1.00 0.00 C ATOM 457 ND1 HIS A 32 -6.901 -1.492 -12.943 1.00 0.00 N ATOM 458 CD2 HIS A 32 -9.044 -1.632 -13.439 1.00 0.00 C ATOM 459 CE1 HIS A 32 -7.010 -1.658 -14.270 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.305 -1.732 -14.627 1.00 0.00 N ATOM 0 H HIS A 32 -7.148 -4.144 -10.708 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.916 -2.181 -9.926 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.650 -1.374 -10.888 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.254 -0.354 -10.607 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.030 -1.392 -12.422 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.120 -1.669 -13.357 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.177 -1.723 -14.954 1.00 0.00 H new ATOM 468 N ASP A 33 -8.814 -3.395 -7.902 1.00 0.00 N ATOM 469 CA ASP A 33 -9.191 -3.360 -6.491 1.00 0.00 C ATOM 470 C ASP A 33 -7.968 -2.965 -5.677 1.00 0.00 C ATOM 471 O ASP A 33 -6.834 -3.202 -6.090 1.00 0.00 O ATOM 472 CB ASP A 33 -9.742 -4.707 -6.016 1.00 0.00 C ATOM 473 CG ASP A 33 -11.209 -4.897 -6.400 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.651 -4.379 -7.453 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.918 -5.579 -5.630 1.00 0.00 O ATOM 0 H ASP A 33 -8.793 -4.330 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.988 -2.629 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.148 -5.513 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.639 -4.779 -4.933 1.00 0.00 H new ATOM 480 N ILE A 34 -8.187 -2.349 -4.523 1.00 0.00 N ATOM 481 CA ILE A 34 -7.141 -1.899 -3.622 1.00 0.00 C ATOM 482 C ILE A 34 -7.125 -2.875 -2.461 1.00 0.00 C ATOM 483 O ILE A 34 -8.185 -3.191 -1.916 1.00 0.00 O ATOM 484 CB ILE A 34 -7.434 -0.459 -3.157 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.421 0.549 -4.333 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.454 -0.080 -2.027 1.00 0.00 C ATOM 487 CD1 ILE A 34 -6.031 1.070 -4.661 1.00 0.00 C ATOM 0 H ILE A 34 -9.126 -2.144 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.165 -1.878 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.447 -0.413 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.840 0.070 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.069 1.391 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.658 0.938 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.581 -0.767 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.431 -0.143 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.092 1.771 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.617 1.577 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.385 0.236 -4.936 1.00 0.00 H new ATOM 499 N ILE A 35 -5.930 -3.324 -2.080 1.00 0.00 N ATOM 500 CA ILE A 35 -5.725 -4.253 -0.984 1.00 0.00 C ATOM 501 C ILE A 35 -4.687 -3.598 -0.076 1.00 0.00 C ATOM 502 O ILE A 35 -3.716 -3.000 -0.561 1.00 0.00 O ATOM 503 CB ILE A 35 -5.286 -5.622 -1.561 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.230 -6.114 -2.688 1.00 0.00 C ATOM 505 CG2 ILE A 35 -5.040 -6.717 -0.505 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.601 -6.060 -4.076 1.00 0.00 C ATOM 0 H ILE A 35 -5.063 -3.043 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.624 -4.456 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.308 -5.430 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.533 -7.139 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.135 -5.506 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.737 -7.639 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.252 -6.395 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.957 -6.892 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.318 -6.419 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.323 -5.032 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.712 -6.690 -4.097 1.00 0.00 H new ATOM 518 N THR A 36 -4.898 -3.715 1.229 1.00 0.00 N ATOM 519 CA THR A 36 -3.924 -3.360 2.245 1.00 0.00 C ATOM 520 C THR A 36 -2.824 -4.407 2.156 1.00 0.00 C ATOM 521 O THR A 36 -3.107 -5.588 2.331 1.00 0.00 O ATOM 522 CB THR A 36 -4.621 -3.414 3.610 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.666 -2.470 3.631 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.677 -3.144 4.777 1.00 0.00 C ATOM 0 H THR A 36 -5.773 -4.068 1.616 1.00 0.00 H new ATOM 0 HA THR A 36 -3.509 -2.361 2.109 1.00 0.00 H new ATOM 0 HB THR A 36 -5.002 -4.428 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.117 -2.501 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.232 -3.197 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.883 -3.891 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.240 -2.151 4.670 1.00 0.00 H new ATOM 532 N VAL A 37 -1.596 -4.021 1.844 1.00 0.00 N ATOM 533 CA VAL A 37 -0.447 -4.896 1.988 1.00 0.00 C ATOM 534 C VAL A 37 -0.054 -4.892 3.462 1.00 0.00 C ATOM 535 O VAL A 37 -0.222 -3.888 4.149 1.00 0.00 O ATOM 536 CB VAL A 37 0.715 -4.425 1.103 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.893 -5.417 1.152 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.243 -4.302 -0.349 1.00 0.00 C ATOM 0 H VAL A 37 -1.370 -3.093 1.485 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.694 -5.908 1.666 1.00 0.00 H new ATOM 0 HB VAL A 37 1.049 -3.458 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.700 -5.055 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.252 -5.505 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.561 -6.393 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.071 -3.967 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.108 -5.272 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.571 -3.579 -0.407 1.00 0.00 H new ATOM 548 N LEU A 38 0.485 -6.006 3.949 1.00 0.00 N ATOM 549 CA LEU A 38 0.886 -6.146 5.342 1.00 0.00 C ATOM 550 C LEU A 38 2.288 -6.741 5.440 1.00 0.00 C ATOM 551 O LEU A 38 3.069 -6.316 6.292 1.00 0.00 O ATOM 552 CB LEU A 38 -0.138 -7.031 6.069 1.00 0.00 C ATOM 553 CG LEU A 38 -1.573 -6.461 6.074 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.574 -7.576 6.392 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.716 -5.280 7.048 1.00 0.00 C ATOM 0 H LEU A 38 0.656 -6.839 3.385 1.00 0.00 H new ATOM 0 HA LEU A 38 0.912 -5.164 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.151 -8.014 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.188 -7.174 7.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.790 -6.071 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.585 -7.168 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.500 -8.358 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.351 -7.997 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.740 -4.908 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.476 -5.611 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.033 -4.483 6.756 1.00 0.00 H new ATOM 567 N GLU A 39 2.624 -7.702 4.580 1.00 0.00 N ATOM 568 CA GLU A 39 3.790 -8.569 4.728 1.00 0.00 C ATOM 569 C GLU A 39 4.283 -8.927 3.325 1.00 0.00 C ATOM 570 O GLU A 39 3.469 -9.014 2.403 1.00 0.00 O ATOM 571 CB GLU A 39 3.336 -9.822 5.502 1.00 0.00 C ATOM 572 CG GLU A 39 4.161 -10.175 6.738 1.00 0.00 C ATOM 573 CD GLU A 39 3.257 -10.758 7.831 1.00 0.00 C ATOM 574 OE1 GLU A 39 2.454 -9.993 8.414 1.00 0.00 O ATOM 575 OE2 GLU A 39 3.365 -11.972 8.117 1.00 0.00 O ATOM 0 H GLU A 39 2.079 -7.903 3.741 1.00 0.00 H new ATOM 0 HA GLU A 39 4.604 -8.090 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.300 -9.681 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.354 -10.673 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.935 -10.896 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.668 -9.285 7.112 1.00 0.00 H new ATOM 582 N GLN A 40 5.588 -9.134 3.141 1.00 0.00 N ATOM 583 CA GLN A 40 6.201 -9.355 1.836 1.00 0.00 C ATOM 584 C GLN A 40 7.225 -10.489 1.895 1.00 0.00 C ATOM 585 O GLN A 40 8.346 -10.286 2.373 1.00 0.00 O ATOM 586 CB GLN A 40 6.885 -8.074 1.338 1.00 0.00 C ATOM 587 CG GLN A 40 5.971 -6.852 1.188 1.00 0.00 C ATOM 588 CD GLN A 40 6.676 -5.748 0.400 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.892 -5.565 0.475 1.00 0.00 O ATOM 590 NE2 GLN A 40 5.960 -5.001 -0.417 1.00 0.00 N ATOM 0 H GLN A 40 6.258 -9.153 3.910 1.00 0.00 H new ATOM 0 HA GLN A 40 5.408 -9.634 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.690 -7.821 2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.346 -8.281 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.051 -7.139 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.688 -6.480 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.952 -5.144 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.414 -4.281 -0.979 1.00 0.00 H new ATOM 599 N GLN A 41 6.858 -11.665 1.388 1.00 0.00 N ATOM 600 CA GLN A 41 7.807 -12.721 1.061 1.00 0.00 C ATOM 601 C GLN A 41 8.426 -12.404 -0.313 1.00 0.00 C ATOM 602 O GLN A 41 8.131 -11.369 -0.922 1.00 0.00 O ATOM 603 CB GLN A 41 7.117 -14.103 1.120 1.00 0.00 C ATOM 604 CG GLN A 41 6.383 -14.362 2.447 1.00 0.00 C ATOM 605 CD GLN A 41 7.270 -14.951 3.524 1.00 0.00 C ATOM 606 OE1 GLN A 41 7.506 -16.159 3.546 1.00 0.00 O ATOM 607 NE2 GLN A 41 7.742 -14.147 4.454 1.00 0.00 N ATOM 0 H GLN A 41 5.887 -11.911 1.192 1.00 0.00 H new ATOM 0 HA GLN A 41 8.615 -12.764 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.405 -14.181 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.865 -14.881 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.961 -13.424 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.548 -15.039 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.535 -13.149 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.314 -14.522 5.210 1.00 0.00 H new ATOM 616 N GLU A 42 9.252 -13.321 -0.821 1.00 0.00 N ATOM 617 CA GLU A 42 9.951 -13.308 -2.114 1.00 0.00 C ATOM 618 C GLU A 42 9.158 -12.726 -3.298 1.00 0.00 C ATOM 619 O GLU A 42 9.721 -12.156 -4.238 1.00 0.00 O ATOM 620 CB GLU A 42 10.330 -14.768 -2.447 1.00 0.00 C ATOM 621 CG GLU A 42 9.146 -15.758 -2.313 1.00 0.00 C ATOM 622 CD GLU A 42 9.268 -16.988 -3.206 1.00 0.00 C ATOM 623 OE1 GLU A 42 9.147 -16.847 -4.443 1.00 0.00 O ATOM 624 OE2 GLU A 42 9.333 -18.115 -2.666 1.00 0.00 O ATOM 0 H GLU A 42 9.470 -14.167 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 42 10.808 -12.646 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.717 -14.812 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.136 -15.086 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.070 -16.081 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.220 -15.236 -2.553 1.00 0.00 H new ATOM 631 N ASN A 43 7.847 -12.937 -3.294 1.00 0.00 N ATOM 632 CA ASN A 43 6.942 -12.873 -4.430 1.00 0.00 C ATOM 633 C ASN A 43 5.534 -12.787 -3.879 1.00 0.00 C ATOM 634 O ASN A 43 4.768 -11.916 -4.269 1.00 0.00 O ATOM 635 CB ASN A 43 7.070 -14.146 -5.292 1.00 0.00 C ATOM 636 CG ASN A 43 8.133 -13.990 -6.369 1.00 0.00 C ATOM 637 OD1 ASN A 43 8.118 -13.010 -7.115 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.078 -14.905 -6.461 1.00 0.00 N ATOM 0 H ASN A 43 7.355 -13.174 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 43 7.180 -12.011 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.319 -14.994 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.110 -14.369 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.815 -14.809 -7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.072 -15.709 -5.833 1.00 0.00 H new ATOM 645 N TRP A 44 5.209 -13.700 -2.972 1.00 0.00 N ATOM 646 CA TRP A 44 3.940 -13.773 -2.283 1.00 0.00 C ATOM 647 C TRP A 44 3.899 -12.684 -1.230 1.00 0.00 C ATOM 648 O TRP A 44 4.809 -12.636 -0.410 1.00 0.00 O ATOM 649 CB TRP A 44 3.819 -15.165 -1.663 1.00 0.00 C ATOM 650 CG TRP A 44 3.788 -16.216 -2.736 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.862 -16.831 -3.284 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.652 -16.621 -3.551 1.00 0.00 C ATOM 653 NE1 TRP A 44 4.453 -17.607 -4.348 1.00 0.00 N ATOM 654 CE2 TRP A 44 3.116 -17.431 -4.627 1.00 0.00 C ATOM 655 CE3 TRP A 44 1.279 -16.337 -3.517 1.00 0.00 C ATOM 656 CZ2 TRP A 44 2.272 -17.860 -5.667 1.00 0.00 C ATOM 657 CZ3 TRP A 44 0.417 -16.795 -4.527 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.911 -17.509 -5.626 1.00 0.00 C ATOM 0 H TRP A 44 5.854 -14.438 -2.689 1.00 0.00 H new ATOM 0 HA TRP A 44 3.101 -13.619 -2.962 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.659 -15.346 -0.993 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.912 -15.224 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.881 -16.730 -2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.067 -18.236 -4.866 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.877 -15.756 -2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.663 -18.449 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.642 -16.594 -4.455 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.252 -17.788 -6.435 1.00 0.00 H new ATOM 669 N TRP A 45 2.895 -11.812 -1.231 1.00 0.00 N ATOM 670 CA TRP A 45 2.684 -10.808 -0.195 1.00 0.00 C ATOM 671 C TRP A 45 1.383 -11.152 0.506 1.00 0.00 C ATOM 672 O TRP A 45 0.491 -11.743 -0.100 1.00 0.00 O ATOM 673 CB TRP A 45 2.656 -9.398 -0.798 1.00 0.00 C ATOM 674 CG TRP A 45 3.955 -8.896 -1.356 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.118 -9.579 -1.417 1.00 0.00 C ATOM 676 CD2 TRP A 45 4.235 -7.612 -1.977 1.00 0.00 C ATOM 677 NE1 TRP A 45 6.086 -8.818 -2.024 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.570 -7.619 -2.464 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.476 -6.457 -2.221 1.00 0.00 C ATOM 680 CZ2 TRP A 45 6.083 -6.568 -3.237 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.980 -5.386 -2.976 1.00 0.00 C ATOM 682 CH2 TRP A 45 5.284 -5.438 -3.500 1.00 0.00 C ATOM 0 H TRP A 45 2.191 -11.784 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 45 3.503 -10.812 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.910 -9.379 -1.593 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.320 -8.702 -0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.266 -10.581 -1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.059 -9.103 -2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.477 -6.390 -1.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.088 -6.624 -3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.363 -4.518 -3.155 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.668 -4.623 -4.096 1.00 0.00 H new ATOM 693 N PHE A 46 1.292 -10.804 1.783 1.00 0.00 N ATOM 694 CA PHE A 46 0.105 -10.988 2.591 1.00 0.00 C ATOM 695 C PHE A 46 -0.576 -9.634 2.651 1.00 0.00 C ATOM 696 O PHE A 46 0.092 -8.602 2.809 1.00 0.00 O ATOM 697 CB PHE A 46 0.511 -11.472 3.984 1.00 0.00 C ATOM 698 CG PHE A 46 -0.591 -11.825 4.958 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.347 -12.996 4.773 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.789 -11.048 6.116 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.322 -13.362 5.717 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.760 -11.417 7.061 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.534 -12.571 6.859 1.00 0.00 C ATOM 0 H PHE A 46 2.064 -10.376 2.294 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.571 -11.735 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.144 -12.351 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.126 -10.697 4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.178 -13.615 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.191 -10.164 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.910 -14.255 5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.911 -10.813 7.943 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.290 -12.850 7.579 1.00 0.00 H new ATOM 713 N GLY A 47 -1.894 -9.621 2.530 1.00 0.00 N ATOM 714 CA GLY A 47 -2.665 -8.399 2.528 1.00 0.00 C ATOM 715 C GLY A 47 -4.131 -8.692 2.777 1.00 0.00 C ATOM 716 O GLY A 47 -4.495 -9.848 2.984 1.00 0.00 O ATOM 0 H GLY A 47 -2.457 -10.465 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.288 -7.724 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.548 -7.890 1.571 1.00 0.00 H new ATOM 720 N GLU A 48 -4.948 -7.642 2.807 1.00 0.00 N ATOM 721 CA GLU A 48 -6.311 -7.664 3.314 1.00 0.00 C ATOM 722 C GLU A 48 -7.265 -6.878 2.417 1.00 0.00 C ATOM 723 O GLU A 48 -7.056 -5.682 2.179 1.00 0.00 O ATOM 724 CB GLU A 48 -6.300 -7.084 4.733 1.00 0.00 C ATOM 725 CG GLU A 48 -7.694 -7.057 5.351 1.00 0.00 C ATOM 726 CD GLU A 48 -7.663 -6.631 6.811 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.284 -5.483 7.126 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.041 -7.445 7.681 1.00 0.00 O ATOM 0 H GLU A 48 -4.666 -6.723 2.467 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.673 -8.692 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.636 -7.677 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.895 -6.072 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.327 -6.372 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.145 -8.046 5.272 1.00 0.00 H new ATOM 735 N VAL A 49 -8.308 -7.537 1.908 1.00 0.00 N ATOM 736 CA VAL A 49 -9.363 -6.877 1.119 1.00 0.00 C ATOM 737 C VAL A 49 -10.703 -7.586 1.286 1.00 0.00 C ATOM 738 O VAL A 49 -10.737 -8.754 1.678 1.00 0.00 O ATOM 739 CB VAL A 49 -8.930 -6.658 -0.347 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.681 -7.974 -1.062 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.860 -5.786 -1.191 1.00 0.00 C ATOM 0 H VAL A 49 -8.450 -8.540 2.028 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.516 -5.873 1.515 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.001 -6.096 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.378 -7.778 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.891 -8.523 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.595 -8.568 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.460 -5.699 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.850 -6.241 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.934 -4.795 -0.744 1.00 0.00 H new ATOM 751 N HIS A 50 -11.799 -6.860 1.042 1.00 0.00 N ATOM 752 CA HIS A 50 -13.201 -7.262 1.119 1.00 0.00 C ATOM 753 C HIS A 50 -13.650 -7.427 2.567 1.00 0.00 C ATOM 754 O HIS A 50 -14.689 -6.903 2.957 1.00 0.00 O ATOM 755 CB HIS A 50 -13.520 -8.496 0.259 1.00 0.00 C ATOM 756 CG HIS A 50 -13.360 -8.289 -1.226 1.00 0.00 C ATOM 757 ND1 HIS A 50 -14.087 -7.415 -2.005 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.560 -9.024 -2.060 1.00 0.00 C ATOM 759 CE1 HIS A 50 -13.736 -7.614 -3.283 1.00 0.00 C ATOM 760 NE2 HIS A 50 -12.806 -8.584 -3.369 1.00 0.00 N ATOM 0 H HIS A 50 -11.715 -5.884 0.759 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.786 -6.450 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.872 -9.315 0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.545 -8.807 0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.868 -9.799 -1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.142 -7.073 -4.125 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.366 -8.931 -4.221 1.00 0.00 H new ATOM 768 N GLY A 51 -12.849 -8.086 3.393 1.00 0.00 N ATOM 769 CA GLY A 51 -13.202 -8.459 4.749 1.00 0.00 C ATOM 770 C GLY A 51 -12.373 -9.643 5.220 1.00 0.00 C ATOM 771 O GLY A 51 -12.879 -10.462 5.987 1.00 0.00 O ATOM 0 H GLY A 51 -11.910 -8.383 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.044 -7.611 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.262 -8.710 4.797 1.00 0.00 H new ATOM 775 N GLY A 52 -11.138 -9.777 4.735 1.00 0.00 N ATOM 776 CA GLY A 52 -10.296 -10.907 5.044 1.00 0.00 C ATOM 777 C GLY A 52 -8.910 -10.720 4.450 1.00 0.00 C ATOM 778 O GLY A 52 -8.685 -9.882 3.575 1.00 0.00 O ATOM 0 H GLY A 52 -10.702 -9.095 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.221 -11.027 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.745 -11.820 4.653 1.00 0.00 H new ATOM 782 N ARG A 53 -7.974 -11.497 4.976 1.00 0.00 N ATOM 783 CA ARG A 53 -6.553 -11.517 4.659 1.00 0.00 C ATOM 784 C ARG A 53 -6.196 -12.727 3.801 1.00 0.00 C ATOM 785 O ARG A 53 -7.035 -13.595 3.551 1.00 0.00 O ATOM 786 CB ARG A 53 -5.724 -11.480 5.964 1.00 0.00 C ATOM 787 CG ARG A 53 -5.657 -10.067 6.527 1.00 0.00 C ATOM 788 CD ARG A 53 -5.198 -9.900 7.980 1.00 0.00 C ATOM 789 NE ARG A 53 -5.584 -8.550 8.407 1.00 0.00 N ATOM 790 CZ ARG A 53 -5.345 -7.881 9.532 1.00 0.00 C ATOM 791 NH1 ARG A 53 -4.539 -8.343 10.479 1.00 0.00 N ATOM 792 NH2 ARG A 53 -5.950 -6.709 9.683 1.00 0.00 N ATOM 0 H ARG A 53 -8.207 -12.184 5.693 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.311 -10.630 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.169 -12.148 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.716 -11.846 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.986 -9.485 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.648 -9.622 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.662 -10.652 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.119 -10.035 8.060 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.133 -8.033 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.075 -9.243 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.383 -7.798 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.568 -6.356 8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.796 -6.161 10.530 1.00 0.00 H new ATOM 806 N GLY A 54 -4.942 -12.779 3.355 1.00 0.00 N ATOM 807 CA GLY A 54 -4.333 -13.943 2.744 1.00 0.00 C ATOM 808 C GLY A 54 -3.119 -13.554 1.904 1.00 0.00 C ATOM 809 O GLY A 54 -2.833 -12.373 1.704 1.00 0.00 O ATOM 0 H GLY A 54 -4.307 -11.983 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.032 -14.648 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.065 -14.452 2.117 1.00 0.00 H new ATOM 813 N TRP A 55 -2.399 -14.563 1.420 1.00 0.00 N ATOM 814 CA TRP A 55 -1.255 -14.457 0.523 1.00 0.00 C ATOM 815 C TRP A 55 -1.706 -14.284 -0.922 1.00 0.00 C ATOM 816 O TRP A 55 -2.764 -14.801 -1.304 1.00 0.00 O ATOM 817 CB TRP A 55 -0.414 -15.735 0.651 1.00 0.00 C ATOM 818 CG TRP A 55 0.325 -15.802 1.939 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.036 -16.500 3.035 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.488 -15.021 2.317 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.846 -16.221 4.058 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.754 -15.250 3.698 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.310 -14.096 1.643 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.747 -14.546 4.397 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.273 -13.376 2.335 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.493 -13.572 3.713 1.00 0.00 C ATOM 0 H TRP A 55 -2.612 -15.532 1.658 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.666 -13.582 0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.065 -16.605 0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.296 -15.783 -0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.880 -17.170 3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.828 -16.678 4.970 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.189 -13.946 0.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 2.934 -14.749 5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.869 -12.648 1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.228 -12.979 4.238 1.00 0.00 H new ATOM 837 N PHE A 56 -0.875 -13.643 -1.747 1.00 0.00 N ATOM 838 CA PHE A 56 -1.085 -13.553 -3.199 1.00 0.00 C ATOM 839 C PHE A 56 0.226 -13.167 -3.901 1.00 0.00 C ATOM 840 O PHE A 56 1.095 -12.590 -3.248 1.00 0.00 O ATOM 841 CB PHE A 56 -2.181 -12.515 -3.496 1.00 0.00 C ATOM 842 CG PHE A 56 -1.856 -11.146 -2.942 1.00 0.00 C ATOM 843 CD1 PHE A 56 -1.053 -10.269 -3.688 1.00 0.00 C ATOM 844 CD2 PHE A 56 -2.266 -10.784 -1.647 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.633 -9.059 -3.121 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.881 -9.550 -1.103 1.00 0.00 C ATOM 847 CZ PHE A 56 -1.049 -8.688 -1.830 1.00 0.00 C ATOM 0 H PHE A 56 -0.031 -13.168 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.404 -14.524 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.323 -12.441 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.125 -12.859 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.760 -10.526 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.880 -11.459 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.017 -8.404 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.227 -9.263 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.731 -7.748 -1.403 1.00 0.00 H new ATOM 857 N PRO A 57 0.415 -13.439 -5.206 1.00 0.00 N ATOM 858 CA PRO A 57 1.630 -13.035 -5.903 1.00 0.00 C ATOM 859 C PRO A 57 1.614 -11.530 -6.177 1.00 0.00 C ATOM 860 O PRO A 57 0.700 -11.015 -6.825 1.00 0.00 O ATOM 861 CB PRO A 57 1.672 -13.838 -7.204 1.00 0.00 C ATOM 862 CG PRO A 57 0.281 -14.442 -7.376 1.00 0.00 C ATOM 863 CD PRO A 57 -0.509 -14.096 -6.120 1.00 0.00 C ATOM 0 HA PRO A 57 2.518 -13.233 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.926 -13.198 -8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.432 -14.618 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.208 -14.039 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.343 -15.522 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.347 -13.441 -6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.927 -14.995 -5.667 1.00 0.00 H new ATOM 871 N LYS A 58 2.648 -10.809 -5.742 1.00 0.00 N ATOM 872 CA LYS A 58 2.781 -9.368 -5.964 1.00 0.00 C ATOM 873 C LYS A 58 2.847 -8.997 -7.448 1.00 0.00 C ATOM 874 O LYS A 58 2.702 -7.825 -7.793 1.00 0.00 O ATOM 875 CB LYS A 58 4.033 -8.846 -5.237 1.00 0.00 C ATOM 876 CG LYS A 58 5.273 -9.020 -6.128 1.00 0.00 C ATOM 877 CD LYS A 58 6.611 -8.842 -5.427 1.00 0.00 C ATOM 878 CE LYS A 58 7.737 -9.345 -6.304 1.00 0.00 C ATOM 879 NZ LYS A 58 8.942 -9.752 -5.547 1.00 0.00 N ATOM 0 H LYS A 58 3.425 -11.213 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 58 1.885 -8.897 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.903 -7.794 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.170 -9.386 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.244 -10.015 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.214 -8.304 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.768 -7.790 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.608 -9.384 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.381 -10.194 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.011 -8.564 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.788 -9.597 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.014 -9.186 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.872 -10.760 -5.299 1.00 0.00 H new ATOM 893 N SER A 59 3.164 -9.938 -8.331 1.00 0.00 N ATOM 894 CA SER A 59 3.259 -9.673 -9.756 1.00 0.00 C ATOM 895 C SER A 59 1.890 -9.234 -10.299 1.00 0.00 C ATOM 896 O SER A 59 1.798 -8.497 -11.281 1.00 0.00 O ATOM 897 CB SER A 59 3.809 -10.926 -10.452 1.00 0.00 C ATOM 898 OG SER A 59 3.533 -12.115 -9.725 1.00 0.00 O ATOM 0 H SER A 59 3.362 -10.905 -8.075 1.00 0.00 H new ATOM 0 HA SER A 59 3.947 -8.852 -9.957 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.376 -11.004 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.887 -10.824 -10.580 1.00 0.00 H new ATOM 0 HG SER A 59 3.900 -12.886 -10.207 1.00 0.00 H new ATOM 904 N TYR A 60 0.815 -9.636 -9.620 1.00 0.00 N ATOM 905 CA TYR A 60 -0.562 -9.405 -10.006 1.00 0.00 C ATOM 906 C TYR A 60 -1.053 -8.038 -9.523 1.00 0.00 C ATOM 907 O TYR A 60 -2.232 -7.742 -9.693 1.00 0.00 O ATOM 908 CB TYR A 60 -1.435 -10.528 -9.416 1.00 0.00 C ATOM 909 CG TYR A 60 -1.305 -11.910 -10.051 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.048 -12.450 -10.399 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.462 -12.691 -10.264 1.00 0.00 C ATOM 912 CE1 TYR A 60 0.063 -13.733 -10.939 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.362 -13.981 -10.819 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.092 -14.509 -11.141 1.00 0.00 C ATOM 915 OH TYR A 60 -0.955 -15.784 -11.575 1.00 0.00 O ATOM 0 H TYR A 60 0.893 -10.155 -8.746 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.633 -9.410 -11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.200 -10.619 -8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.478 -10.219 -9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.844 -11.860 -10.245 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.431 -12.296 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.033 -14.128 -11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.253 -14.565 -10.998 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.840 -16.195 -11.667 1.00 0.00 H new ATOM 925 N VAL A 61 -0.211 -7.211 -8.897 1.00 0.00 N ATOM 926 CA VAL A 61 -0.605 -5.959 -8.254 1.00 0.00 C ATOM 927 C VAL A 61 0.422 -4.869 -8.601 1.00 0.00 C ATOM 928 O VAL A 61 1.430 -5.156 -9.256 1.00 0.00 O ATOM 929 CB VAL A 61 -0.777 -6.177 -6.734 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.602 -7.437 -6.388 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.585 -6.275 -6.018 1.00 0.00 C ATOM 0 H VAL A 61 0.788 -7.401 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.572 -5.621 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.324 -5.302 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.685 -7.532 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.598 -7.350 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.106 -8.319 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.425 -6.428 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.150 -7.114 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.144 -5.352 -6.172 1.00 0.00 H new ATOM 941 N LYS A 62 0.222 -3.627 -8.150 1.00 0.00 N ATOM 942 CA LYS A 62 1.287 -2.633 -8.100 1.00 0.00 C ATOM 943 C LYS A 62 1.210 -1.852 -6.800 1.00 0.00 C ATOM 944 O LYS A 62 0.114 -1.511 -6.353 1.00 0.00 O ATOM 945 CB LYS A 62 1.260 -1.730 -9.345 1.00 0.00 C ATOM 946 CG LYS A 62 0.197 -0.612 -9.369 1.00 0.00 C ATOM 947 CD LYS A 62 0.129 0.037 -10.764 1.00 0.00 C ATOM 948 CE LYS A 62 0.028 1.566 -10.748 1.00 0.00 C ATOM 949 NZ LYS A 62 -1.369 2.035 -10.682 1.00 0.00 N ATOM 0 H LYS A 62 -0.679 -3.288 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 62 2.252 -3.140 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.242 -1.268 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.109 -2.362 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.777 -1.023 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.438 0.143 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.016 -0.250 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.732 -0.366 -11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.580 1.955 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.502 1.968 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.386 3.075 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.892 1.687 -11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.816 1.674 -9.815 1.00 0.00 H new ATOM 963 N ILE A 63 2.366 -1.544 -6.213 1.00 0.00 N ATOM 964 CA ILE A 63 2.452 -0.655 -5.062 1.00 0.00 C ATOM 965 C ILE A 63 1.962 0.729 -5.501 1.00 0.00 C ATOM 966 O ILE A 63 2.149 1.131 -6.658 1.00 0.00 O ATOM 967 CB ILE A 63 3.911 -0.664 -4.523 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.138 -1.905 -3.635 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.324 0.651 -3.845 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.352 -1.860 -2.685 1.00 0.00 C ATOM 0 H ILE A 63 3.268 -1.905 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 63 1.819 -0.980 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 63 4.579 -0.738 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.242 -2.064 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.245 -2.774 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.353 0.572 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.247 1.469 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.666 0.846 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.403 -2.788 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.266 -1.740 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.246 -1.019 -1.999 1.00 0.00 H new ATOM 982 N ILE A 64 1.379 1.469 -4.557 1.00 0.00 N ATOM 983 CA ILE A 64 0.838 2.808 -4.754 1.00 0.00 C ATOM 984 C ILE A 64 1.489 3.732 -3.717 1.00 0.00 C ATOM 985 O ILE A 64 1.833 3.256 -2.637 1.00 0.00 O ATOM 986 CB ILE A 64 -0.700 2.828 -4.592 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.385 1.468 -4.765 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.306 3.814 -5.593 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.876 1.545 -4.480 1.00 0.00 C ATOM 0 H ILE A 64 1.268 1.137 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 64 1.058 3.144 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.879 3.131 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.228 1.109 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.924 0.742 -4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.390 3.828 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.908 4.812 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.052 3.505 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.323 0.560 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.034 1.879 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.342 2.252 -5.167 1.00 0.00 H new ATOM 1001 N PRO A 65 1.699 5.024 -4.014 1.00 0.00 N ATOM 1002 CA PRO A 65 2.372 5.967 -3.126 1.00 0.00 C ATOM 1003 C PRO A 65 1.414 6.870 -2.326 1.00 0.00 C ATOM 1004 O PRO A 65 1.866 7.777 -1.627 1.00 0.00 O ATOM 1005 CB PRO A 65 3.248 6.785 -4.075 1.00 0.00 C ATOM 1006 CG PRO A 65 2.338 6.936 -5.293 1.00 0.00 C ATOM 1007 CD PRO A 65 1.597 5.599 -5.342 1.00 0.00 C ATOM 0 HA PRO A 65 2.931 5.446 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.522 7.750 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.176 6.269 -4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.650 7.774 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.910 7.113 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.554 5.743 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.039 4.937 -6.087 1.00 0.00 H new ATOM 1015 N GLY A 66 0.103 6.675 -2.454 1.00 0.00 N ATOM 1016 CA GLY A 66 -0.931 7.494 -1.840 1.00 0.00 C ATOM 1017 C GLY A 66 -2.300 6.982 -2.276 1.00 0.00 C ATOM 1018 O GLY A 66 -2.387 5.964 -2.980 1.00 0.00 O ATOM 0 H GLY A 66 -0.279 5.911 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.844 7.457 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.809 8.536 -2.134 1.00 0.00 H new ATOM 1022 N SER A 67 -3.363 7.659 -1.856 1.00 0.00 N ATOM 1023 CA SER A 67 -4.725 7.334 -2.242 1.00 0.00 C ATOM 1024 C SER A 67 -5.518 8.624 -2.438 1.00 0.00 C ATOM 1025 O SER A 67 -5.717 9.040 -3.579 1.00 0.00 O ATOM 1026 CB SER A 67 -5.355 6.360 -1.230 1.00 0.00 C ATOM 1027 OG SER A 67 -5.129 6.749 0.113 1.00 0.00 O ATOM 0 H SER A 67 -3.298 8.460 -1.228 1.00 0.00 H new ATOM 0 HA SER A 67 -4.736 6.810 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.428 6.298 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.947 5.362 -1.389 1.00 0.00 H new ATOM 0 HG SER A 67 -5.549 6.101 0.716 1.00 0.00 H new ATOM 1033 N GLU A 68 -5.913 9.274 -1.346 1.00 0.00 N ATOM 1034 CA GLU A 68 -7.180 9.982 -1.189 1.00 0.00 C ATOM 1035 C GLU A 68 -8.362 9.004 -1.315 1.00 0.00 C ATOM 1036 O GLU A 68 -8.329 8.039 -2.091 1.00 0.00 O ATOM 1037 CB GLU A 68 -7.325 11.193 -2.144 1.00 0.00 C ATOM 1038 CG GLU A 68 -8.372 12.195 -1.617 1.00 0.00 C ATOM 1039 CD GLU A 68 -8.786 13.293 -2.600 1.00 0.00 C ATOM 1040 OE1 GLU A 68 -9.075 13.024 -3.789 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -8.901 14.462 -2.158 1.00 0.00 O ATOM 0 H GLU A 68 -5.332 9.323 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.188 10.404 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.362 11.692 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.617 10.845 -3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.263 11.641 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.977 12.667 -0.717 1.00 0.00 H new ATOM 1048 N SER A 69 -9.427 9.291 -0.572 1.00 0.00 N ATOM 1049 CA SER A 69 -10.787 8.881 -0.873 1.00 0.00 C ATOM 1050 C SER A 69 -11.560 10.142 -1.247 1.00 0.00 C ATOM 1051 O SER A 69 -12.065 10.833 -0.364 1.00 0.00 O ATOM 1052 CB SER A 69 -11.401 8.181 0.342 1.00 0.00 C ATOM 1053 OG SER A 69 -10.812 6.912 0.517 1.00 0.00 O ATOM 0 H SER A 69 -9.359 9.836 0.287 1.00 0.00 H new ATOM 0 HA SER A 69 -10.819 8.170 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.251 8.787 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.477 8.076 0.206 1.00 0.00 H new ATOM 0 HG SER A 69 -11.209 6.472 1.297 1.00 0.00 H new ATOM 1059 N GLY A 70 -11.616 10.457 -2.545 1.00 0.00 N ATOM 1060 CA GLY A 70 -12.329 11.593 -3.124 1.00 0.00 C ATOM 1061 C GLY A 70 -13.635 11.944 -2.401 1.00 0.00 C ATOM 1062 O GLY A 70 -13.719 13.035 -1.828 1.00 0.00 O ATOM 0 H GLY A 70 -11.141 9.897 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.674 12.464 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.551 11.375 -4.169 1.00 0.00 H new ATOM 1066 N PRO A 71 -14.652 11.058 -2.407 1.00 0.00 N ATOM 1067 CA PRO A 71 -15.905 11.253 -1.683 1.00 0.00 C ATOM 1068 C PRO A 71 -15.702 11.044 -0.174 1.00 0.00 C ATOM 1069 O PRO A 71 -16.157 10.047 0.398 1.00 0.00 O ATOM 1070 CB PRO A 71 -16.887 10.247 -2.300 1.00 0.00 C ATOM 1071 CG PRO A 71 -15.974 9.103 -2.736 1.00 0.00 C ATOM 1072 CD PRO A 71 -14.690 9.811 -3.159 1.00 0.00 C ATOM 0 HA PRO A 71 -16.290 12.269 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.633 9.916 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.428 10.676 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.795 8.400 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.408 8.535 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.816 9.197 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.685 10.002 -4.232 1.00 0.00 H new ATOM 1080 N SER A 72 -15.019 11.979 0.484 1.00 0.00 N ATOM 1081 CA SER A 72 -14.853 11.977 1.924 1.00 0.00 C ATOM 1082 C SER A 72 -14.696 13.417 2.403 1.00 0.00 C ATOM 1083 O SER A 72 -13.613 14.005 2.356 1.00 0.00 O ATOM 1084 CB SER A 72 -13.682 11.068 2.312 1.00 0.00 C ATOM 1085 OG SER A 72 -13.823 10.623 3.649 1.00 0.00 O ATOM 0 H SER A 72 -14.563 12.765 0.021 1.00 0.00 H new ATOM 0 HA SER A 72 -15.731 11.566 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.640 10.211 1.640 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.742 11.608 2.199 1.00 0.00 H new ATOM 0 HG SER A 72 -13.069 10.042 3.882 1.00 0.00 H new ATOM 1091 N SER A 73 -15.798 14.006 2.852 1.00 0.00 N ATOM 1092 CA SER A 73 -15.809 15.202 3.675 1.00 0.00 C ATOM 1093 C SER A 73 -15.162 14.825 5.012 1.00 0.00 C ATOM 1094 O SER A 73 -15.635 13.895 5.669 1.00 0.00 O ATOM 1095 CB SER A 73 -17.269 15.656 3.825 1.00 0.00 C ATOM 1096 OG SER A 73 -17.828 15.874 2.536 1.00 0.00 O ATOM 0 H SER A 73 -16.732 13.653 2.646 1.00 0.00 H new ATOM 0 HA SER A 73 -15.251 16.032 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.844 14.900 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.319 16.571 4.415 1.00 0.00 H new ATOM 0 HG SER A 73 -18.760 16.162 2.628 1.00 0.00 H new ATOM 1102 N GLY A 74 -14.037 15.445 5.375 1.00 0.00 N ATOM 1103 CA GLY A 74 -13.263 15.030 6.536 1.00 0.00 C ATOM 1104 C GLY A 74 -12.151 16.022 6.778 1.00 0.00 C ATOM 1105 O GLY A 74 -11.280 16.145 5.892 1.00 0.00 O ATOM 0 H GLY A 74 -13.643 16.242 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.907 14.968 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.849 14.035 6.374 1.00 0.00 H new TER 1109 GLY A 74