USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc=-0.00444 K(o=-0.0044,f=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 176:sc= 1.27 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -43:sc= 0.451 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0273 (180deg=-0.313) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0691 (180deg=-0.446) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -92:sc= 0.0904 USER MOD Single : A 21 THR OG1 : rot 30:sc= 0.218 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0676) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 40 CYS SG : rot 75:sc= 0.772 USER MOD Single : A 41 THR OG1 : rot -17:sc= 0.0538 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.597 K(o=-0.6,f=0) USER MOD Single : A 54 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.1!) USER MOD Single : A 55 SER OG : rot 31:sc= 0.268 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.480 -4.640 -11.596 1.00 0.00 N ATOM 2 CA MET A 1 3.681 -3.797 -11.406 1.00 0.00 C ATOM 3 C MET A 1 3.840 -2.850 -12.590 1.00 0.00 C ATOM 4 O MET A 1 4.753 -2.992 -13.404 1.00 0.00 O ATOM 5 CB MET A 1 4.929 -4.675 -11.255 1.00 0.00 C ATOM 6 CG MET A 1 6.191 -3.895 -10.916 1.00 0.00 C ATOM 7 SD MET A 1 7.653 -4.943 -10.811 1.00 0.00 S ATOM 8 CE MET A 1 8.898 -3.730 -10.379 1.00 0.00 C ATOM 0 H1 MET A 1 2.376 -5.284 -10.786 1.00 0.00 H new ATOM 0 H2 MET A 1 1.638 -4.034 -11.667 1.00 0.00 H new ATOM 0 H3 MET A 1 2.581 -5.196 -12.469 1.00 0.00 H new ATOM 0 HA MET A 1 3.561 -3.209 -10.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.749 -5.414 -10.475 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.090 -5.224 -12.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.353 -3.128 -11.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.050 -3.380 -9.966 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.865 -4.222 -10.277 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.956 -2.974 -11.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.631 -3.255 -9.435 1.00 0.00 H new ATOM 20 N VAL A 2 2.933 -1.893 -12.691 1.00 0.00 N ATOM 21 CA VAL A 2 2.937 -0.944 -13.793 1.00 0.00 C ATOM 22 C VAL A 2 2.881 0.485 -13.267 1.00 0.00 C ATOM 23 O VAL A 2 3.698 1.330 -13.640 1.00 0.00 O ATOM 24 CB VAL A 2 1.750 -1.190 -14.751 1.00 0.00 C ATOM 25 CG1 VAL A 2 1.747 -0.176 -15.884 1.00 0.00 C ATOM 26 CG2 VAL A 2 1.791 -2.606 -15.304 1.00 0.00 C ATOM 0 H VAL A 2 2.179 -1.752 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 2 3.864 -1.089 -14.347 1.00 0.00 H new ATOM 0 HB VAL A 2 0.828 -1.068 -14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.902 -0.371 -16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.662 0.830 -15.472 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.675 -0.259 -16.449 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.947 -2.759 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.722 -2.756 -15.851 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.734 -3.319 -14.482 1.00 0.00 H new ATOM 36 N LEU A 3 1.926 0.747 -12.385 1.00 0.00 N ATOM 37 CA LEU A 3 1.754 2.078 -11.820 1.00 0.00 C ATOM 38 C LEU A 3 2.840 2.365 -10.792 1.00 0.00 C ATOM 39 O LEU A 3 2.909 1.711 -9.750 1.00 0.00 O ATOM 40 CB LEU A 3 0.373 2.212 -11.171 1.00 0.00 C ATOM 41 CG LEU A 3 -0.818 2.006 -12.111 1.00 0.00 C ATOM 42 CD1 LEU A 3 -2.126 2.118 -11.344 1.00 0.00 C ATOM 43 CD2 LEU A 3 -0.782 3.015 -13.250 1.00 0.00 C ATOM 0 H LEU A 3 1.258 0.055 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 3 1.834 2.804 -12.629 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.301 1.490 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.295 3.203 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.750 1.005 -12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.962 1.969 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.156 1.358 -10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.199 3.107 -10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.636 2.853 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.824 4.025 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.141 2.891 -13.817 1.00 0.00 H new ATOM 55 N ARG A 4 3.698 3.331 -11.095 1.00 0.00 N ATOM 56 CA ARG A 4 4.787 3.697 -10.199 1.00 0.00 C ATOM 57 C ARG A 4 4.725 5.177 -9.846 1.00 0.00 C ATOM 58 O ARG A 4 4.573 5.538 -8.682 1.00 0.00 O ATOM 59 CB ARG A 4 6.145 3.355 -10.824 1.00 0.00 C ATOM 60 CG ARG A 4 6.410 1.858 -10.963 1.00 0.00 C ATOM 61 CD ARG A 4 6.604 1.177 -9.609 1.00 0.00 C ATOM 62 NE ARG A 4 5.387 1.197 -8.795 1.00 0.00 N ATOM 63 CZ ARG A 4 5.374 1.203 -7.463 1.00 0.00 C ATOM 64 NH1 ARG A 4 6.512 1.125 -6.781 1.00 0.00 N ATOM 65 NH2 ARG A 4 4.217 1.271 -6.814 1.00 0.00 N ATOM 0 H ARG A 4 3.660 3.876 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 4 4.674 3.120 -9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.205 3.816 -11.810 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.934 3.797 -10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.576 1.390 -11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.298 1.704 -11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.916 0.144 -9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.409 1.674 -9.067 1.00 0.00 H new ATOM 0 HE ARG A 4 4.490 1.207 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.401 1.060 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.497 1.130 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.342 1.318 -7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.204 1.276 -5.794 1.00 0.00 H new ATOM 79 N GLN A 5 4.834 6.031 -10.854 1.00 0.00 N ATOM 80 CA GLN A 5 4.799 7.473 -10.640 1.00 0.00 C ATOM 81 C GLN A 5 3.804 8.133 -11.587 1.00 0.00 C ATOM 82 O GLN A 5 2.781 8.673 -11.162 1.00 0.00 O ATOM 83 CB GLN A 5 6.187 8.080 -10.857 1.00 0.00 C ATOM 84 CG GLN A 5 7.269 7.472 -9.982 1.00 0.00 C ATOM 85 CD GLN A 5 8.633 8.067 -10.254 1.00 0.00 C ATOM 86 OE1 GLN A 5 9.033 9.045 -9.623 1.00 0.00 O ATOM 87 NE2 GLN A 5 9.352 7.490 -11.202 1.00 0.00 N ATOM 0 H GLN A 5 4.947 5.752 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 5 4.485 7.653 -9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.467 7.956 -11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.138 9.152 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.012 7.623 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.305 6.396 -10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.983 6.681 -11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.276 7.854 -11.434 1.00 0.00 H new ATOM 96 N LEU A 6 4.110 8.066 -12.876 1.00 0.00 N ATOM 97 CA LEU A 6 3.289 8.698 -13.897 1.00 0.00 C ATOM 98 C LEU A 6 3.232 7.835 -15.152 1.00 0.00 C ATOM 99 O LEU A 6 3.165 8.349 -16.272 1.00 0.00 O ATOM 100 CB LEU A 6 3.822 10.106 -14.215 1.00 0.00 C ATOM 101 CG LEU A 6 5.354 10.261 -14.254 1.00 0.00 C ATOM 102 CD1 LEU A 6 5.959 9.563 -15.465 1.00 0.00 C ATOM 103 CD2 LEU A 6 5.731 11.735 -14.249 1.00 0.00 C ATOM 0 H LEU A 6 4.927 7.576 -13.240 1.00 0.00 H new ATOM 0 HA LEU A 6 2.273 8.798 -13.515 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.422 10.414 -15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.427 10.798 -13.471 1.00 0.00 H new ATOM 0 HG LEU A 6 5.761 9.784 -13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.041 9.695 -15.458 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.722 8.500 -15.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.547 9.995 -16.377 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.816 11.833 -14.277 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.300 12.224 -15.123 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.347 12.206 -13.344 1.00 0.00 H new ATOM 115 N SER A 7 3.231 6.523 -14.940 1.00 0.00 N ATOM 116 CA SER A 7 3.256 5.542 -16.019 1.00 0.00 C ATOM 117 C SER A 7 2.210 5.852 -17.093 1.00 0.00 C ATOM 118 O SER A 7 2.542 5.999 -18.269 1.00 0.00 O ATOM 119 CB SER A 7 3.021 4.148 -15.436 1.00 0.00 C ATOM 120 OG SER A 7 3.883 3.910 -14.331 1.00 0.00 O ATOM 0 H SER A 7 3.213 6.108 -14.008 1.00 0.00 H new ATOM 0 HA SER A 7 4.234 5.584 -16.499 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.982 4.052 -15.120 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.191 3.394 -16.205 1.00 0.00 H new ATOM 0 HG SER A 7 3.675 3.037 -13.936 1.00 0.00 H new ATOM 126 N ARG A 8 0.952 5.971 -16.688 1.00 0.00 N ATOM 127 CA ARG A 8 -0.113 6.277 -17.632 1.00 0.00 C ATOM 128 C ARG A 8 -0.453 7.763 -17.604 1.00 0.00 C ATOM 129 O ARG A 8 -1.035 8.289 -18.553 1.00 0.00 O ATOM 130 CB ARG A 8 -1.361 5.440 -17.343 1.00 0.00 C ATOM 131 CG ARG A 8 -1.986 5.691 -15.980 1.00 0.00 C ATOM 132 CD ARG A 8 -3.247 4.864 -15.790 1.00 0.00 C ATOM 133 NE ARG A 8 -3.872 5.104 -14.489 1.00 0.00 N ATOM 134 CZ ARG A 8 -5.021 4.551 -14.101 1.00 0.00 C ATOM 135 NH1 ARG A 8 -5.686 3.741 -14.916 1.00 0.00 N ATOM 136 NH2 ARG A 8 -5.506 4.809 -12.895 1.00 0.00 N ATOM 0 H ARG A 8 0.647 5.861 -15.721 1.00 0.00 H new ATOM 0 HA ARG A 8 0.245 6.023 -18.630 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.105 5.643 -18.113 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.101 4.384 -17.421 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.267 5.447 -15.198 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.224 6.750 -15.876 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.958 5.100 -16.582 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.004 3.806 -15.885 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.400 5.733 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.318 3.538 -15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.565 3.321 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.000 5.431 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.385 4.386 -12.598 1.00 0.00 H new ATOM 150 N LYS A 9 -0.068 8.432 -16.519 1.00 0.00 N ATOM 151 CA LYS A 9 -0.319 9.869 -16.354 1.00 0.00 C ATOM 152 C LYS A 9 0.298 10.683 -17.485 1.00 0.00 C ATOM 153 O LYS A 9 -0.221 11.733 -17.860 1.00 0.00 O ATOM 154 CB LYS A 9 0.246 10.375 -15.025 1.00 0.00 C ATOM 155 CG LYS A 9 -0.461 9.841 -13.796 1.00 0.00 C ATOM 156 CD LYS A 9 0.156 10.406 -12.530 1.00 0.00 C ATOM 157 CE LYS A 9 -0.508 9.859 -11.279 1.00 0.00 C ATOM 158 NZ LYS A 9 0.080 10.448 -10.049 1.00 0.00 N ATOM 0 H LYS A 9 0.422 8.002 -15.735 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.401 10.000 -16.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.301 10.106 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.194 11.464 -15.014 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.519 10.101 -13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.401 8.753 -13.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.220 10.169 -12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.071 11.493 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.577 10.071 -11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.399 8.775 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.396 10.053 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.095 10.224 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.046 11.480 -10.064 1.00 0.00 H new ATOM 172 N ALA A 10 1.409 10.201 -18.018 1.00 0.00 N ATOM 173 CA ALA A 10 2.115 10.907 -19.077 1.00 0.00 C ATOM 174 C ALA A 10 1.456 10.681 -20.435 1.00 0.00 C ATOM 175 O ALA A 10 1.840 11.298 -21.428 1.00 0.00 O ATOM 176 CB ALA A 10 3.572 10.471 -19.116 1.00 0.00 C ATOM 0 H ALA A 10 1.843 9.322 -17.735 1.00 0.00 H new ATOM 0 HA ALA A 10 2.068 11.974 -18.859 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.091 11.005 -19.912 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.045 10.696 -18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.626 9.399 -19.304 1.00 0.00 H new ATOM 182 N SER A 11 0.457 9.811 -20.475 1.00 0.00 N ATOM 183 CA SER A 11 -0.191 9.466 -21.727 1.00 0.00 C ATOM 184 C SER A 11 -1.714 9.583 -21.610 1.00 0.00 C ATOM 185 O SER A 11 -2.456 8.985 -22.395 1.00 0.00 O ATOM 186 CB SER A 11 0.216 8.049 -22.143 1.00 0.00 C ATOM 187 OG SER A 11 -0.193 7.755 -23.471 1.00 0.00 O ATOM 0 H SER A 11 0.080 9.334 -19.656 1.00 0.00 H new ATOM 0 HA SER A 11 0.133 10.169 -22.495 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.298 7.943 -22.063 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.227 7.327 -21.457 1.00 0.00 H new ATOM 0 HG SER A 11 -1.109 8.075 -23.610 1.00 0.00 H new ATOM 193 N VAL A 12 -2.180 10.354 -20.632 1.00 0.00 N ATOM 194 CA VAL A 12 -3.610 10.596 -20.474 1.00 0.00 C ATOM 195 C VAL A 12 -4.084 11.570 -21.544 1.00 0.00 C ATOM 196 O VAL A 12 -5.002 11.278 -22.313 1.00 0.00 O ATOM 197 CB VAL A 12 -3.948 11.155 -19.074 1.00 0.00 C ATOM 198 CG1 VAL A 12 -5.431 11.483 -18.963 1.00 0.00 C ATOM 199 CG2 VAL A 12 -3.546 10.166 -17.995 1.00 0.00 C ATOM 0 H VAL A 12 -1.592 10.819 -19.941 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.124 9.641 -20.583 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.382 12.076 -18.933 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.644 11.875 -17.968 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.695 12.230 -19.711 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.017 10.579 -19.130 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.791 10.576 -17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.084 9.229 -18.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.473 9.981 -18.052 1.00 0.00 H new ATOM 209 N LYS A 13 -3.436 12.720 -21.596 1.00 0.00 N ATOM 210 CA LYS A 13 -3.708 13.702 -22.627 1.00 0.00 C ATOM 211 C LYS A 13 -2.418 14.044 -23.354 1.00 0.00 C ATOM 212 O LYS A 13 -2.274 13.774 -24.547 1.00 0.00 O ATOM 213 CB LYS A 13 -4.330 14.965 -22.025 1.00 0.00 C ATOM 214 CG LYS A 13 -4.699 16.007 -23.068 1.00 0.00 C ATOM 215 CD LYS A 13 -5.331 17.236 -22.442 1.00 0.00 C ATOM 216 CE LYS A 13 -5.702 18.264 -23.500 1.00 0.00 C ATOM 217 NZ LYS A 13 -6.662 17.717 -24.496 1.00 0.00 N ATOM 0 H LYS A 13 -2.714 12.997 -20.931 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.421 13.281 -23.335 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.223 14.690 -21.464 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.630 15.404 -21.315 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.806 16.300 -23.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.391 15.570 -23.788 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.222 16.946 -21.885 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.638 17.680 -21.727 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.139 19.139 -23.018 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.800 18.599 -24.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.069 18.497 -25.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.166 17.062 -25.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.423 17.209 -24.002 1.00 0.00 H new ATOM 231 N VAL A 14 -1.472 14.613 -22.623 1.00 0.00 N ATOM 232 CA VAL A 14 -0.185 14.975 -23.175 1.00 0.00 C ATOM 233 C VAL A 14 0.740 15.442 -22.054 1.00 0.00 C ATOM 234 O VAL A 14 0.275 15.887 -21.003 1.00 0.00 O ATOM 235 CB VAL A 14 -0.325 16.076 -24.248 1.00 0.00 C ATOM 236 CG1 VAL A 14 -0.782 17.387 -23.627 1.00 0.00 C ATOM 237 CG2 VAL A 14 0.977 16.252 -25.010 1.00 0.00 C ATOM 0 H VAL A 14 -1.579 14.835 -21.633 1.00 0.00 H new ATOM 0 HA VAL A 14 0.243 14.096 -23.656 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.090 15.763 -24.959 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.873 18.146 -24.404 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.749 17.244 -23.145 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.052 17.712 -22.886 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.856 17.033 -25.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.769 16.535 -24.317 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.241 15.315 -25.500 1.00 0.00 H new ATOM 247 N SER A 15 2.039 15.310 -22.261 1.00 0.00 N ATOM 248 CA SER A 15 3.011 15.748 -21.278 1.00 0.00 C ATOM 249 C SER A 15 4.077 16.604 -21.953 1.00 0.00 C ATOM 250 O SER A 15 5.102 16.088 -22.407 1.00 0.00 O ATOM 251 CB SER A 15 3.643 14.534 -20.584 1.00 0.00 C ATOM 252 OG SER A 15 4.487 14.929 -19.515 1.00 0.00 O ATOM 0 H SER A 15 2.444 14.902 -23.103 1.00 0.00 H new ATOM 0 HA SER A 15 2.511 16.351 -20.520 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.857 13.879 -20.206 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.217 13.957 -21.309 1.00 0.00 H new ATOM 0 HG SER A 15 4.873 14.134 -19.092 1.00 0.00 H new ATOM 258 N LYS A 16 3.804 17.908 -22.037 1.00 0.00 N ATOM 259 CA LYS A 16 4.707 18.876 -22.657 1.00 0.00 C ATOM 260 C LYS A 16 4.775 18.678 -24.166 1.00 0.00 C ATOM 261 O LYS A 16 4.266 17.692 -24.696 1.00 0.00 O ATOM 262 CB LYS A 16 6.110 18.807 -22.045 1.00 0.00 C ATOM 263 CG LYS A 16 6.132 19.110 -20.558 1.00 0.00 C ATOM 264 CD LYS A 16 7.530 18.985 -19.982 1.00 0.00 C ATOM 265 CE LYS A 16 7.522 19.198 -18.480 1.00 0.00 C ATOM 266 NZ LYS A 16 6.670 18.199 -17.781 1.00 0.00 N ATOM 0 H LYS A 16 2.945 18.323 -21.674 1.00 0.00 H new ATOM 0 HA LYS A 16 4.301 19.868 -22.459 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.523 17.812 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.760 19.513 -22.562 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.756 20.119 -20.386 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.461 18.427 -20.037 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.934 17.999 -20.211 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.187 19.716 -20.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.541 19.135 -18.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.160 20.202 -18.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.908 18.187 -16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.669 18.454 -17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.837 17.256 -18.187 1.00 0.00 H new ATOM 280 N THR A 17 5.369 19.657 -24.841 1.00 0.00 N ATOM 281 CA THR A 17 5.589 19.624 -26.288 1.00 0.00 C ATOM 282 C THR A 17 4.287 19.865 -27.069 1.00 0.00 C ATOM 283 O THR A 17 4.303 20.048 -28.284 1.00 0.00 O ATOM 284 CB THR A 17 6.278 18.301 -26.731 1.00 0.00 C ATOM 285 OG1 THR A 17 7.398 18.596 -27.580 1.00 0.00 O ATOM 286 CG2 THR A 17 5.324 17.367 -27.465 1.00 0.00 C ATOM 0 H THR A 17 5.716 20.507 -24.396 1.00 0.00 H new ATOM 0 HA THR A 17 6.266 20.444 -26.527 1.00 0.00 H new ATOM 0 HB THR A 17 6.610 17.793 -25.826 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.829 17.760 -27.855 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.853 16.459 -27.753 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.491 17.110 -26.810 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.944 17.863 -28.358 1.00 0.00 H new ATOM 294 N TRP A 18 3.170 19.933 -26.355 1.00 0.00 N ATOM 295 CA TRP A 18 1.862 20.119 -26.978 1.00 0.00 C ATOM 296 C TRP A 18 1.721 21.542 -27.519 1.00 0.00 C ATOM 297 O TRP A 18 0.754 21.877 -28.201 1.00 0.00 O ATOM 298 CB TRP A 18 0.761 19.824 -25.954 1.00 0.00 C ATOM 299 CG TRP A 18 -0.621 19.781 -26.537 1.00 0.00 C ATOM 300 CD1 TRP A 18 -1.661 20.613 -26.237 1.00 0.00 C ATOM 301 CD2 TRP A 18 -1.112 18.866 -27.526 1.00 0.00 C ATOM 302 NE1 TRP A 18 -2.767 20.269 -26.974 1.00 0.00 N ATOM 303 CE2 TRP A 18 -2.457 19.202 -27.772 1.00 0.00 C ATOM 304 CE3 TRP A 18 -0.547 17.797 -28.227 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -3.245 18.507 -28.688 1.00 0.00 C ATOM 306 CZ3 TRP A 18 -1.330 17.108 -29.136 1.00 0.00 C ATOM 307 CH2 TRP A 18 -2.666 17.465 -29.358 1.00 0.00 C ATOM 0 H TRP A 18 3.143 19.862 -25.338 1.00 0.00 H new ATOM 0 HA TRP A 18 1.766 19.428 -27.816 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.972 18.868 -25.475 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.791 20.585 -25.174 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.620 21.423 -25.524 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.674 20.734 -26.933 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.482 17.514 -28.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.275 18.781 -28.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.904 16.281 -29.684 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.251 16.906 -30.073 1.00 0.00 H new ATOM 318 N SER A 19 2.713 22.366 -27.226 1.00 0.00 N ATOM 319 CA SER A 19 2.715 23.756 -27.649 1.00 0.00 C ATOM 320 C SER A 19 3.026 23.886 -29.142 1.00 0.00 C ATOM 321 O SER A 19 2.725 24.907 -29.761 1.00 0.00 O ATOM 322 CB SER A 19 3.730 24.530 -26.810 1.00 0.00 C ATOM 323 OG SER A 19 4.903 23.758 -26.601 1.00 0.00 O ATOM 0 H SER A 19 3.537 22.092 -26.690 1.00 0.00 H new ATOM 0 HA SER A 19 1.721 24.175 -27.494 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.988 25.463 -27.312 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.288 24.796 -25.850 1.00 0.00 H new ATOM 0 HG SER A 19 4.818 23.254 -25.765 1.00 0.00 H new ATOM 329 N GLY A 20 3.619 22.848 -29.716 1.00 0.00 N ATOM 330 CA GLY A 20 3.922 22.851 -31.137 1.00 0.00 C ATOM 331 C GLY A 20 4.239 21.467 -31.642 1.00 0.00 C ATOM 332 O GLY A 20 3.754 21.061 -32.697 1.00 0.00 O ATOM 0 H GLY A 20 3.897 22.000 -29.222 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.073 23.254 -31.689 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.769 23.511 -31.327 1.00 0.00 H new ATOM 336 N THR A 21 5.083 20.770 -30.882 1.00 0.00 N ATOM 337 CA THR A 21 5.451 19.362 -31.092 1.00 0.00 C ATOM 338 C THR A 21 6.040 19.074 -32.476 1.00 0.00 C ATOM 339 O THR A 21 6.356 17.931 -32.780 1.00 0.00 O ATOM 340 CB THR A 21 4.268 18.384 -30.805 1.00 0.00 C ATOM 341 OG1 THR A 21 4.765 17.048 -30.647 1.00 0.00 O ATOM 342 CG2 THR A 21 3.227 18.381 -31.919 1.00 0.00 C ATOM 0 H THR A 21 5.548 21.181 -30.073 1.00 0.00 H new ATOM 0 HA THR A 21 6.240 19.181 -30.362 1.00 0.00 H new ATOM 0 HB THR A 21 3.789 18.733 -29.890 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.675 17.078 -30.283 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.427 17.684 -31.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.813 19.383 -32.033 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.696 18.074 -32.854 1.00 0.00 H new ATOM 350 N LYS A 22 6.209 20.106 -33.299 1.00 0.00 N ATOM 351 CA LYS A 22 6.704 19.937 -34.664 1.00 0.00 C ATOM 352 C LYS A 22 5.849 18.923 -35.426 1.00 0.00 C ATOM 353 O LYS A 22 6.353 18.187 -36.277 1.00 0.00 O ATOM 354 CB LYS A 22 8.174 19.499 -34.651 1.00 0.00 C ATOM 355 CG LYS A 22 9.107 20.527 -34.029 1.00 0.00 C ATOM 356 CD LYS A 22 10.534 20.011 -33.916 1.00 0.00 C ATOM 357 CE LYS A 22 11.116 19.657 -35.275 1.00 0.00 C ATOM 358 NZ LYS A 22 12.538 19.235 -35.178 1.00 0.00 N ATOM 0 H LYS A 22 6.009 21.073 -33.043 1.00 0.00 H new ATOM 0 HA LYS A 22 6.634 20.897 -35.176 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.261 18.562 -34.102 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.495 19.300 -35.674 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.097 21.436 -34.631 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.740 20.797 -33.039 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.157 20.768 -33.440 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.553 19.131 -33.272 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.529 18.855 -35.723 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.038 20.518 -35.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.897 19.003 -36.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.103 20.009 -34.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.611 18.398 -34.566 1.00 0.00 H new ATOM 372 N LYS A 23 4.550 18.898 -35.095 1.00 0.00 N ATOM 373 CA LYS A 23 3.576 17.977 -35.706 1.00 0.00 C ATOM 374 C LYS A 23 3.801 16.522 -35.273 1.00 0.00 C ATOM 375 O LYS A 23 3.108 15.619 -35.743 1.00 0.00 O ATOM 376 CB LYS A 23 3.605 18.066 -37.238 1.00 0.00 C ATOM 377 CG LYS A 23 3.219 19.427 -37.795 1.00 0.00 C ATOM 378 CD LYS A 23 1.772 19.769 -37.488 1.00 0.00 C ATOM 379 CE LYS A 23 1.355 21.074 -38.150 1.00 0.00 C ATOM 380 NZ LYS A 23 2.126 22.236 -37.637 1.00 0.00 N ATOM 0 H LYS A 23 4.142 19.517 -34.394 1.00 0.00 H new ATOM 0 HA LYS A 23 2.595 18.291 -35.349 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.607 17.816 -37.586 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.929 17.315 -37.646 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.871 20.191 -37.373 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.374 19.436 -38.874 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.125 18.962 -37.833 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.637 19.847 -36.409 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.496 20.994 -39.228 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.292 21.242 -37.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.730 23.115 -38.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.068 22.260 -36.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.121 22.147 -37.926 1.00 0.00 H new ATOM 394 N ARG A 24 4.748 16.296 -34.368 1.00 0.00 N ATOM 395 CA ARG A 24 5.083 14.940 -33.935 1.00 0.00 C ATOM 396 C ARG A 24 3.915 14.283 -33.209 1.00 0.00 C ATOM 397 O ARG A 24 3.519 13.174 -33.551 1.00 0.00 O ATOM 398 CB ARG A 24 6.319 14.943 -33.035 1.00 0.00 C ATOM 399 CG ARG A 24 7.596 15.353 -33.753 1.00 0.00 C ATOM 400 CD ARG A 24 8.733 15.586 -32.772 1.00 0.00 C ATOM 401 NE ARG A 24 9.089 14.375 -32.035 1.00 0.00 N ATOM 402 CZ ARG A 24 9.655 14.374 -30.828 1.00 0.00 C ATOM 403 NH1 ARG A 24 9.878 15.520 -30.194 1.00 0.00 N ATOM 404 NH2 ARG A 24 9.986 13.226 -30.249 1.00 0.00 N ATOM 0 H ARG A 24 5.297 17.030 -33.920 1.00 0.00 H new ATOM 0 HA ARG A 24 5.301 14.359 -34.831 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.148 15.622 -32.200 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.453 13.947 -32.613 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.880 14.578 -34.464 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.417 16.262 -34.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.607 15.949 -33.312 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.447 16.366 -32.067 1.00 0.00 H new ATOM 0 HE ARG A 24 8.892 13.474 -32.471 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.616 16.404 -30.631 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.311 15.516 -29.271 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.807 12.343 -30.728 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.419 13.227 -29.325 1.00 0.00 H new ATOM 418 N ALA A 25 3.355 14.973 -32.220 1.00 0.00 N ATOM 419 CA ALA A 25 2.261 14.422 -31.421 1.00 0.00 C ATOM 420 C ALA A 25 1.086 13.976 -32.291 1.00 0.00 C ATOM 421 O ALA A 25 0.407 13.000 -31.975 1.00 0.00 O ATOM 422 CB ALA A 25 1.792 15.429 -30.384 1.00 0.00 C ATOM 0 H ALA A 25 3.639 15.915 -31.951 1.00 0.00 H new ATOM 0 HA ALA A 25 2.649 13.541 -30.910 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.978 14.998 -29.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.620 15.681 -29.721 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.442 16.331 -30.885 1.00 0.00 H new ATOM 428 N GLN A 26 0.865 14.675 -33.399 1.00 0.00 N ATOM 429 CA GLN A 26 -0.248 14.358 -34.282 1.00 0.00 C ATOM 430 C GLN A 26 0.017 13.087 -35.078 1.00 0.00 C ATOM 431 O GLN A 26 -0.920 12.384 -35.456 1.00 0.00 O ATOM 432 CB GLN A 26 -0.549 15.525 -35.223 1.00 0.00 C ATOM 433 CG GLN A 26 -1.133 16.734 -34.513 1.00 0.00 C ATOM 434 CD GLN A 26 -1.634 17.792 -35.475 1.00 0.00 C ATOM 435 OE1 GLN A 26 -0.897 18.700 -35.858 1.00 0.00 O ATOM 436 NE2 GLN A 26 -2.892 17.678 -35.871 1.00 0.00 N ATOM 0 H GLN A 26 1.439 15.461 -33.705 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.123 14.185 -33.655 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.369 15.819 -35.731 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.246 15.192 -35.992 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.955 16.412 -33.873 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.374 17.170 -33.863 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.467 16.909 -35.528 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.286 18.359 -36.519 1.00 0.00 H new ATOM 445 N ARG A 27 1.284 12.778 -35.329 1.00 0.00 N ATOM 446 CA ARG A 27 1.624 11.550 -36.034 1.00 0.00 C ATOM 447 C ARG A 27 1.807 10.411 -35.033 1.00 0.00 C ATOM 448 O ARG A 27 1.660 9.237 -35.377 1.00 0.00 O ATOM 449 CB ARG A 27 2.876 11.733 -36.904 1.00 0.00 C ATOM 450 CG ARG A 27 4.172 11.856 -36.128 1.00 0.00 C ATOM 451 CD ARG A 27 5.331 12.214 -37.041 1.00 0.00 C ATOM 452 NE ARG A 27 6.610 12.144 -36.340 1.00 0.00 N ATOM 453 CZ ARG A 27 7.772 12.532 -36.857 1.00 0.00 C ATOM 454 NH1 ARG A 27 7.824 13.069 -38.070 1.00 0.00 N ATOM 455 NH2 ARG A 27 8.885 12.393 -36.151 1.00 0.00 N ATOM 0 H ARG A 27 2.082 13.353 -35.059 1.00 0.00 H new ATOM 0 HA ARG A 27 0.803 11.296 -36.704 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.955 10.886 -37.586 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.749 12.625 -37.517 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.065 12.619 -35.357 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.384 10.916 -35.619 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.346 11.536 -37.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.187 13.220 -37.436 1.00 0.00 H new ATOM 0 HE ARG A 27 6.612 11.773 -35.390 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.968 13.187 -38.613 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.719 13.364 -38.459 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.848 11.990 -35.215 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.778 12.689 -36.544 1.00 0.00 H new ATOM 469 N ILE A 28 2.105 10.773 -33.785 1.00 0.00 N ATOM 470 CA ILE A 28 2.162 9.805 -32.692 1.00 0.00 C ATOM 471 C ILE A 28 0.799 9.154 -32.508 1.00 0.00 C ATOM 472 O ILE A 28 0.698 7.984 -32.147 1.00 0.00 O ATOM 473 CB ILE A 28 2.600 10.470 -31.363 1.00 0.00 C ATOM 474 CG1 ILE A 28 4.021 11.017 -31.481 1.00 0.00 C ATOM 475 CG2 ILE A 28 2.506 9.489 -30.200 1.00 0.00 C ATOM 476 CD1 ILE A 28 5.068 9.955 -31.740 1.00 0.00 C ATOM 0 H ILE A 28 2.311 11.732 -33.506 1.00 0.00 H new ATOM 0 HA ILE A 28 2.903 9.050 -32.954 1.00 0.00 H new ATOM 0 HB ILE A 28 1.920 11.299 -31.163 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.052 11.748 -32.288 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.274 11.546 -30.562 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.820 9.984 -29.281 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.476 9.147 -30.095 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.155 8.634 -30.392 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.050 10.422 -31.811 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.067 9.236 -30.921 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.842 9.441 -32.675 1.00 0.00 H new ATOM 488 N LEU A 29 -0.247 9.924 -32.782 1.00 0.00 N ATOM 489 CA LEU A 29 -1.616 9.424 -32.718 1.00 0.00 C ATOM 490 C LEU A 29 -1.782 8.197 -33.614 1.00 0.00 C ATOM 491 O LEU A 29 -2.511 7.264 -33.281 1.00 0.00 O ATOM 492 CB LEU A 29 -2.605 10.516 -33.137 1.00 0.00 C ATOM 493 CG LEU A 29 -2.516 11.823 -32.343 1.00 0.00 C ATOM 494 CD1 LEU A 29 -3.566 12.810 -32.828 1.00 0.00 C ATOM 495 CD2 LEU A 29 -2.676 11.560 -30.853 1.00 0.00 C ATOM 0 H LEU A 29 -0.173 10.905 -33.053 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.826 9.136 -31.688 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.447 10.740 -34.192 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.617 10.122 -33.043 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.530 12.258 -32.507 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.490 13.734 -32.254 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.403 13.025 -33.884 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.559 12.380 -32.694 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.610 12.502 -30.308 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.647 11.101 -30.667 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.886 10.889 -30.515 1.00 0.00 H new ATOM 507 N ILE A 30 -1.087 8.202 -34.748 1.00 0.00 N ATOM 508 CA ILE A 30 -1.112 7.070 -35.661 1.00 0.00 C ATOM 509 C ILE A 30 -0.087 6.026 -35.224 1.00 0.00 C ATOM 510 O ILE A 30 -0.381 4.834 -35.196 1.00 0.00 O ATOM 511 CB ILE A 30 -0.837 7.485 -37.135 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.959 8.376 -37.687 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.674 6.257 -38.020 1.00 0.00 C ATOM 514 CD1 ILE A 30 -1.923 9.804 -37.185 1.00 0.00 C ATOM 0 H ILE A 30 -0.501 8.978 -35.054 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.117 6.650 -35.622 1.00 0.00 H new ATOM 0 HB ILE A 30 0.091 8.057 -37.143 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.899 8.384 -38.775 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.920 7.935 -37.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.483 6.571 -39.046 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.163 5.659 -37.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.586 5.661 -37.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.749 10.365 -37.623 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.016 9.810 -36.099 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.978 10.267 -37.471 1.00 0.00 H new ATOM 526 N PHE A 31 1.102 6.483 -34.851 1.00 0.00 N ATOM 527 CA PHE A 31 2.167 5.585 -34.408 1.00 0.00 C ATOM 528 C PHE A 31 1.695 4.710 -33.248 1.00 0.00 C ATOM 529 O PHE A 31 1.991 3.520 -33.199 1.00 0.00 O ATOM 530 CB PHE A 31 3.404 6.386 -33.990 1.00 0.00 C ATOM 531 CG PHE A 31 4.573 5.529 -33.587 1.00 0.00 C ATOM 532 CD1 PHE A 31 5.417 4.994 -34.546 1.00 0.00 C ATOM 533 CD2 PHE A 31 4.828 5.259 -32.250 1.00 0.00 C ATOM 534 CE1 PHE A 31 6.491 4.206 -34.181 1.00 0.00 C ATOM 535 CE2 PHE A 31 5.901 4.472 -31.881 1.00 0.00 C ATOM 536 CZ PHE A 31 6.733 3.944 -32.848 1.00 0.00 C ATOM 0 H PHE A 31 1.355 7.471 -34.846 1.00 0.00 H new ATOM 0 HA PHE A 31 2.431 4.938 -35.244 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.705 7.030 -34.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.139 7.038 -33.158 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.233 5.195 -35.591 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.180 5.669 -31.489 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.141 3.795 -34.939 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.089 4.270 -30.837 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.572 3.327 -32.562 1.00 0.00 H new ATOM 546 N LEU A 32 0.943 5.308 -32.332 1.00 0.00 N ATOM 547 CA LEU A 32 0.452 4.601 -31.156 1.00 0.00 C ATOM 548 C LEU A 32 -0.522 3.488 -31.539 1.00 0.00 C ATOM 549 O LEU A 32 -0.533 2.429 -30.915 1.00 0.00 O ATOM 550 CB LEU A 32 -0.227 5.582 -30.195 1.00 0.00 C ATOM 551 CG LEU A 32 0.306 5.575 -28.756 1.00 0.00 C ATOM 552 CD1 LEU A 32 0.106 4.211 -28.108 1.00 0.00 C ATOM 553 CD2 LEU A 32 1.778 5.964 -28.731 1.00 0.00 C ATOM 0 H LEU A 32 0.659 6.286 -32.382 1.00 0.00 H new ATOM 0 HA LEU A 32 1.309 4.144 -30.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.122 6.589 -30.598 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.294 5.359 -30.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.259 6.310 -28.182 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.492 4.232 -27.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.957 3.970 -28.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.640 3.454 -28.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.140 5.954 -27.703 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.352 5.253 -29.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.897 6.964 -29.148 1.00 0.00 H new ATOM 565 N LEU A 33 -1.333 3.719 -32.566 1.00 0.00 N ATOM 566 CA LEU A 33 -2.313 2.721 -32.978 1.00 0.00 C ATOM 567 C LEU A 33 -1.618 1.570 -33.697 1.00 0.00 C ATOM 568 O LEU A 33 -2.014 0.409 -33.564 1.00 0.00 O ATOM 569 CB LEU A 33 -3.428 3.355 -33.836 1.00 0.00 C ATOM 570 CG LEU A 33 -3.063 3.801 -35.259 1.00 0.00 C ATOM 571 CD1 LEU A 33 -3.180 2.650 -36.248 1.00 0.00 C ATOM 572 CD2 LEU A 33 -3.953 4.957 -35.688 1.00 0.00 C ATOM 0 H LEU A 33 -1.332 4.575 -33.121 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.796 2.315 -32.089 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.245 2.638 -33.908 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.812 4.223 -33.300 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.024 4.132 -35.253 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.915 2.999 -37.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.505 1.847 -35.953 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.205 2.278 -36.254 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.686 5.266 -36.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.996 4.640 -35.669 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.816 5.795 -35.004 1.00 0.00 H new ATOM 584 N GLU A 34 -0.566 1.900 -34.435 1.00 0.00 N ATOM 585 CA GLU A 34 0.256 0.898 -35.097 1.00 0.00 C ATOM 586 C GLU A 34 1.033 0.096 -34.060 1.00 0.00 C ATOM 587 O GLU A 34 1.119 -1.129 -34.135 1.00 0.00 O ATOM 588 CB GLU A 34 1.239 1.566 -36.059 1.00 0.00 C ATOM 589 CG GLU A 34 0.592 2.525 -37.044 1.00 0.00 C ATOM 590 CD GLU A 34 1.587 3.104 -38.029 1.00 0.00 C ATOM 591 OE1 GLU A 34 1.484 2.794 -39.233 1.00 0.00 O ATOM 592 OE2 GLU A 34 2.490 3.857 -37.604 1.00 0.00 O ATOM 0 H GLU A 34 -0.261 2.861 -34.590 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.398 0.232 -35.660 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.986 2.108 -35.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.767 0.792 -36.616 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.194 2.004 -37.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.114 3.337 -36.495 1.00 0.00 H new ATOM 599 N PHE A 35 1.583 0.813 -33.089 1.00 0.00 N ATOM 600 CA PHE A 35 2.370 0.214 -32.018 1.00 0.00 C ATOM 601 C PHE A 35 1.512 -0.747 -31.213 1.00 0.00 C ATOM 602 O PHE A 35 1.936 -1.859 -30.904 1.00 0.00 O ATOM 603 CB PHE A 35 2.940 1.310 -31.106 1.00 0.00 C ATOM 604 CG PHE A 35 3.841 0.794 -30.016 1.00 0.00 C ATOM 605 CD1 PHE A 35 3.333 0.492 -28.762 1.00 0.00 C ATOM 606 CD2 PHE A 35 5.193 0.615 -30.248 1.00 0.00 C ATOM 607 CE1 PHE A 35 4.160 0.019 -27.760 1.00 0.00 C ATOM 608 CE2 PHE A 35 6.026 0.143 -29.250 1.00 0.00 C ATOM 609 CZ PHE A 35 5.509 -0.155 -28.005 1.00 0.00 C ATOM 0 H PHE A 35 1.496 1.827 -33.021 1.00 0.00 H new ATOM 0 HA PHE A 35 3.198 -0.342 -32.458 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.496 2.022 -31.716 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.113 1.856 -30.652 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.280 0.628 -28.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.603 0.847 -31.220 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.752 -0.214 -26.787 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.080 0.008 -29.444 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.158 -0.523 -27.224 1.00 0.00 H new ATOM 619 N LEU A 36 0.304 -0.300 -30.881 1.00 0.00 N ATOM 620 CA LEU A 36 -0.664 -1.115 -30.167 1.00 0.00 C ATOM 621 C LEU A 36 -0.878 -2.436 -30.901 1.00 0.00 C ATOM 622 O LEU A 36 -0.849 -3.510 -30.297 1.00 0.00 O ATOM 623 CB LEU A 36 -1.985 -0.339 -30.057 1.00 0.00 C ATOM 624 CG LEU A 36 -2.930 -0.762 -28.929 1.00 0.00 C ATOM 625 CD1 LEU A 36 -4.010 0.289 -28.733 1.00 0.00 C ATOM 626 CD2 LEU A 36 -3.571 -2.112 -29.216 1.00 0.00 C ATOM 0 H LEU A 36 -0.028 0.639 -31.101 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.293 -1.338 -29.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.751 0.718 -29.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.518 -0.435 -31.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.340 -0.854 -28.017 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.677 -0.021 -27.929 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.548 1.242 -28.475 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.581 0.401 -29.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.235 -2.381 -28.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.143 -2.054 -30.142 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.794 -2.870 -29.317 1.00 0.00 H new ATOM 638 N LEU A 37 -1.064 -2.342 -32.212 1.00 0.00 N ATOM 639 CA LEU A 37 -1.306 -3.507 -33.044 1.00 0.00 C ATOM 640 C LEU A 37 -0.082 -4.421 -33.047 1.00 0.00 C ATOM 641 O LEU A 37 -0.179 -5.608 -32.741 1.00 0.00 O ATOM 642 CB LEU A 37 -1.641 -3.049 -34.468 1.00 0.00 C ATOM 643 CG LEU A 37 -2.505 -4.008 -35.288 1.00 0.00 C ATOM 644 CD1 LEU A 37 -3.002 -3.320 -36.549 1.00 0.00 C ATOM 645 CD2 LEU A 37 -1.743 -5.274 -35.652 1.00 0.00 C ATOM 0 H LEU A 37 -1.051 -1.459 -32.723 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.147 -4.072 -32.642 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.152 -2.088 -34.410 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.707 -2.881 -35.005 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.358 -4.294 -34.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.616 -4.013 -37.124 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.597 -2.448 -36.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.150 -3.005 -37.151 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.388 -5.932 -36.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.864 -5.013 -36.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.431 -5.785 -34.741 1.00 0.00 H new ATOM 657 N ASP A 38 1.066 -3.846 -33.380 1.00 0.00 N ATOM 658 CA ASP A 38 2.322 -4.592 -33.475 1.00 0.00 C ATOM 659 C ASP A 38 2.662 -5.282 -32.163 1.00 0.00 C ATOM 660 O ASP A 38 2.977 -6.475 -32.133 1.00 0.00 O ATOM 661 CB ASP A 38 3.457 -3.641 -33.842 1.00 0.00 C ATOM 662 CG ASP A 38 4.785 -4.353 -34.001 1.00 0.00 C ATOM 663 OD1 ASP A 38 5.565 -4.381 -33.027 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.059 -4.875 -35.101 1.00 0.00 O ATOM 0 H ASP A 38 1.157 -2.852 -33.592 1.00 0.00 H new ATOM 0 HA ASP A 38 2.199 -5.354 -34.245 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.210 -3.128 -34.772 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.549 -2.876 -33.071 1.00 0.00 H new ATOM 669 N PHE A 39 2.590 -4.515 -31.087 1.00 0.00 N ATOM 670 CA PHE A 39 2.934 -5.000 -29.753 1.00 0.00 C ATOM 671 C PHE A 39 2.085 -6.212 -29.374 1.00 0.00 C ATOM 672 O PHE A 39 2.612 -7.230 -28.925 1.00 0.00 O ATOM 673 CB PHE A 39 2.754 -3.876 -28.726 1.00 0.00 C ATOM 674 CG PHE A 39 3.215 -4.226 -27.337 1.00 0.00 C ATOM 675 CD1 PHE A 39 4.564 -4.390 -27.063 1.00 0.00 C ATOM 676 CD2 PHE A 39 2.303 -4.377 -26.306 1.00 0.00 C ATOM 677 CE1 PHE A 39 4.993 -4.699 -25.787 1.00 0.00 C ATOM 678 CE2 PHE A 39 2.726 -4.687 -25.027 1.00 0.00 C ATOM 679 CZ PHE A 39 4.073 -4.848 -24.767 1.00 0.00 C ATOM 0 H PHE A 39 2.292 -3.540 -31.110 1.00 0.00 H new ATOM 0 HA PHE A 39 3.978 -5.312 -29.758 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.301 -2.997 -29.067 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.700 -3.600 -28.688 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.288 -4.275 -27.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.249 -4.251 -26.503 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.047 -4.824 -25.587 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.004 -4.803 -24.232 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.406 -5.090 -23.769 1.00 0.00 H new ATOM 689 N CYS A 40 0.777 -6.111 -29.576 1.00 0.00 N ATOM 690 CA CYS A 40 -0.131 -7.205 -29.250 1.00 0.00 C ATOM 691 C CYS A 40 0.024 -8.348 -30.247 1.00 0.00 C ATOM 692 O CYS A 40 -0.245 -9.505 -29.923 1.00 0.00 O ATOM 693 CB CYS A 40 -1.580 -6.715 -29.241 1.00 0.00 C ATOM 694 SG CYS A 40 -1.868 -5.301 -28.152 1.00 0.00 S ATOM 0 H CYS A 40 0.321 -5.285 -29.963 1.00 0.00 H new ATOM 0 HA CYS A 40 0.124 -7.571 -28.255 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.868 -6.443 -30.257 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.229 -7.535 -28.934 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.383 -4.226 -28.699 1.00 0.00 H new ATOM 700 N THR A 41 0.472 -8.005 -31.455 1.00 0.00 N ATOM 701 CA THR A 41 0.649 -8.958 -32.539 1.00 0.00 C ATOM 702 C THR A 41 -0.706 -9.443 -33.063 1.00 0.00 C ATOM 703 O THR A 41 -1.118 -9.086 -34.170 1.00 0.00 O ATOM 704 CB THR A 41 1.521 -10.146 -32.095 1.00 0.00 C ATOM 705 OG1 THR A 41 2.740 -9.655 -31.515 1.00 0.00 O ATOM 706 CG2 THR A 41 1.841 -11.050 -33.269 1.00 0.00 C ATOM 0 H THR A 41 0.723 -7.049 -31.706 1.00 0.00 H new ATOM 0 HA THR A 41 1.166 -8.449 -33.352 1.00 0.00 H new ATOM 0 HB THR A 41 0.968 -10.726 -31.356 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.873 -8.720 -31.776 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.458 -11.882 -32.930 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.914 -11.435 -33.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.381 -10.484 -34.028 1.00 0.00 H new ATOM 714 N GLY A 42 -1.411 -10.217 -32.251 1.00 0.00 N ATOM 715 CA GLY A 42 -2.716 -10.701 -32.634 1.00 0.00 C ATOM 716 C GLY A 42 -3.734 -10.484 -31.537 1.00 0.00 C ATOM 717 O GLY A 42 -3.645 -11.092 -30.469 1.00 0.00 O ATOM 0 H GLY A 42 -1.098 -10.519 -31.328 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.042 -10.191 -33.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.656 -11.763 -32.870 1.00 0.00 H new ATOM 721 N GLU A 43 -4.684 -9.599 -31.784 1.00 0.00 N ATOM 722 CA GLU A 43 -5.716 -9.306 -30.813 1.00 0.00 C ATOM 723 C GLU A 43 -6.879 -10.274 -30.931 1.00 0.00 C ATOM 724 O GLU A 43 -7.412 -10.504 -32.019 1.00 0.00 O ATOM 725 CB GLU A 43 -6.199 -7.865 -30.951 1.00 0.00 C ATOM 726 CG GLU A 43 -5.343 -6.882 -30.176 1.00 0.00 C ATOM 727 CD GLU A 43 -5.452 -7.082 -28.677 1.00 0.00 C ATOM 728 OE1 GLU A 43 -4.767 -7.974 -28.135 1.00 0.00 O ATOM 729 OE2 GLU A 43 -6.230 -6.351 -28.033 1.00 0.00 O ATOM 0 H GLU A 43 -4.759 -9.071 -32.653 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.280 -9.429 -29.822 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.201 -7.586 -32.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.229 -7.797 -30.602 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.302 -6.991 -30.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.643 -5.865 -30.428 1.00 0.00 H new ATOM 736 N ASP A 44 -7.253 -10.836 -29.797 1.00 0.00 N ATOM 737 CA ASP A 44 -8.343 -11.795 -29.727 1.00 0.00 C ATOM 738 C ASP A 44 -9.392 -11.321 -28.740 1.00 0.00 C ATOM 739 O ASP A 44 -10.511 -10.983 -29.127 1.00 0.00 O ATOM 740 CB ASP A 44 -7.823 -13.172 -29.294 1.00 0.00 C ATOM 741 CG ASP A 44 -7.019 -13.877 -30.366 1.00 0.00 C ATOM 742 OD1 ASP A 44 -5.783 -13.700 -30.410 1.00 0.00 O ATOM 743 OD2 ASP A 44 -7.613 -14.639 -31.152 1.00 0.00 O ATOM 0 H ASP A 44 -6.811 -10.642 -28.898 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.788 -11.879 -30.719 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.204 -13.055 -28.404 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.669 -13.800 -29.013 1.00 0.00 H new ATOM 748 N SER A 45 -9.017 -11.295 -27.468 1.00 0.00 N ATOM 749 CA SER A 45 -9.922 -10.904 -26.391 1.00 0.00 C ATOM 750 C SER A 45 -11.158 -11.804 -26.376 1.00 0.00 C ATOM 751 O SER A 45 -12.269 -11.362 -26.072 1.00 0.00 O ATOM 752 CB SER A 45 -10.324 -9.435 -26.543 1.00 0.00 C ATOM 753 OG SER A 45 -9.178 -8.609 -26.680 1.00 0.00 O ATOM 0 H SER A 45 -8.079 -11.543 -27.152 1.00 0.00 H new ATOM 0 HA SER A 45 -9.403 -11.023 -25.440 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.968 -9.318 -27.415 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.903 -9.120 -25.675 1.00 0.00 H new ATOM 0 HG SER A 45 -9.458 -7.675 -26.778 1.00 0.00 H new ATOM 759 N VAL A 46 -10.951 -13.069 -26.715 1.00 0.00 N ATOM 760 CA VAL A 46 -12.036 -14.036 -26.762 1.00 0.00 C ATOM 761 C VAL A 46 -12.043 -14.882 -25.497 1.00 0.00 C ATOM 762 O VAL A 46 -13.097 -15.180 -24.934 1.00 0.00 O ATOM 763 CB VAL A 46 -11.919 -14.958 -27.997 1.00 0.00 C ATOM 764 CG1 VAL A 46 -13.086 -15.930 -28.060 1.00 0.00 C ATOM 765 CG2 VAL A 46 -11.841 -14.138 -29.274 1.00 0.00 C ATOM 0 H VAL A 46 -10.037 -13.449 -26.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.970 -13.479 -26.836 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.999 -15.535 -27.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.981 -16.568 -28.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.094 -16.547 -27.162 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.020 -15.373 -28.126 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.759 -14.806 -30.131 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.741 -13.531 -29.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.967 -13.488 -29.236 1.00 0.00 H new ATOM 775 N ASP A 47 -10.854 -15.246 -25.047 1.00 0.00 N ATOM 776 CA ASP A 47 -10.707 -16.079 -23.861 1.00 0.00 C ATOM 777 C ASP A 47 -9.961 -15.322 -22.774 1.00 0.00 C ATOM 778 O ASP A 47 -8.882 -15.734 -22.341 1.00 0.00 O ATOM 779 CB ASP A 47 -9.961 -17.375 -24.187 1.00 0.00 C ATOM 780 CG ASP A 47 -10.661 -18.214 -25.234 1.00 0.00 C ATOM 781 OD1 ASP A 47 -11.578 -18.980 -24.874 1.00 0.00 O ATOM 782 OD2 ASP A 47 -10.290 -18.116 -26.424 1.00 0.00 O ATOM 0 H ASP A 47 -9.973 -14.978 -25.485 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.706 -16.333 -23.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.957 -17.132 -24.536 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.848 -17.962 -23.275 1.00 0.00 H new ATOM 787 N GLY A 48 -10.538 -14.213 -22.341 1.00 0.00 N ATOM 788 CA GLY A 48 -9.930 -13.412 -21.298 1.00 0.00 C ATOM 789 C GLY A 48 -10.157 -14.008 -19.925 1.00 0.00 C ATOM 790 O GLY A 48 -10.758 -13.378 -19.054 1.00 0.00 O ATOM 0 H GLY A 48 -11.423 -13.850 -22.695 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.859 -13.326 -21.484 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.341 -12.403 -21.329 1.00 0.00 H new ATOM 794 N LYS A 49 -9.686 -15.232 -19.741 1.00 0.00 N ATOM 795 CA LYS A 49 -9.854 -15.936 -18.486 1.00 0.00 C ATOM 796 C LYS A 49 -8.843 -15.421 -17.471 1.00 0.00 C ATOM 797 O LYS A 49 -9.205 -15.036 -16.358 1.00 0.00 O ATOM 798 CB LYS A 49 -9.668 -17.440 -18.699 1.00 0.00 C ATOM 799 CG LYS A 49 -10.524 -18.302 -17.784 1.00 0.00 C ATOM 800 CD LYS A 49 -12.009 -18.172 -18.106 1.00 0.00 C ATOM 801 CE LYS A 49 -12.329 -18.691 -19.502 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.760 -18.502 -19.854 1.00 0.00 N ATOM 0 H LYS A 49 -9.181 -15.759 -20.453 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.861 -15.759 -18.108 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.904 -17.682 -19.735 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.619 -17.692 -18.543 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.222 -19.345 -17.880 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.351 -18.014 -16.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.591 -18.726 -17.369 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.308 -17.127 -18.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.705 -18.175 -20.232 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.078 -19.750 -19.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.933 -18.869 -20.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.356 -19.015 -19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.994 -17.489 -19.824 1.00 0.00 H new ATOM 816 N LYS A 50 -7.577 -15.408 -17.871 1.00 0.00 N ATOM 817 CA LYS A 50 -6.511 -14.880 -17.034 1.00 0.00 C ATOM 818 C LYS A 50 -6.361 -13.382 -17.230 1.00 0.00 C ATOM 819 O LYS A 50 -6.953 -12.804 -18.145 1.00 0.00 O ATOM 820 CB LYS A 50 -5.182 -15.566 -17.336 1.00 0.00 C ATOM 821 CG LYS A 50 -5.027 -16.918 -16.669 1.00 0.00 C ATOM 822 CD LYS A 50 -3.629 -17.470 -16.874 1.00 0.00 C ATOM 823 CE LYS A 50 -3.412 -17.915 -18.313 1.00 0.00 C ATOM 824 NZ LYS A 50 -2.081 -18.550 -18.513 1.00 0.00 N ATOM 0 H LYS A 50 -7.264 -15.760 -18.776 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.783 -15.080 -15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.084 -15.690 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.367 -14.917 -17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.233 -16.827 -15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.760 -17.614 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.894 -16.709 -16.612 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.467 -18.313 -16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.194 -18.620 -18.595 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.505 -17.054 -18.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.979 -18.836 -19.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.332 -17.871 -18.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.000 -19.387 -17.902 1.00 0.00 H new ATOM 838 N ARG A 51 -5.550 -12.772 -16.366 1.00 0.00 N ATOM 839 CA ARG A 51 -5.341 -11.323 -16.363 1.00 0.00 C ATOM 840 C ARG A 51 -6.677 -10.594 -16.304 1.00 0.00 C ATOM 841 O ARG A 51 -6.838 -9.506 -16.858 1.00 0.00 O ATOM 842 CB ARG A 51 -4.552 -10.884 -17.601 1.00 0.00 C ATOM 843 CG ARG A 51 -3.236 -11.622 -17.772 1.00 0.00 C ATOM 844 CD ARG A 51 -2.387 -11.552 -16.516 1.00 0.00 C ATOM 845 NE ARG A 51 -1.131 -12.279 -16.674 1.00 0.00 N ATOM 846 CZ ARG A 51 -0.234 -12.450 -15.706 1.00 0.00 C ATOM 847 NH1 ARG A 51 -0.467 -11.976 -14.488 1.00 0.00 N ATOM 848 NH2 ARG A 51 0.889 -13.112 -15.957 1.00 0.00 N ATOM 0 H ARG A 51 -5.020 -13.267 -15.649 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.761 -11.065 -15.477 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.166 -11.041 -18.488 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.354 -9.814 -17.536 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.433 -12.665 -18.021 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.684 -11.194 -18.609 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.177 -10.510 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.944 -11.966 -15.676 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.927 -12.683 -17.588 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.336 -11.479 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.223 -12.109 -13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.062 -13.488 -16.889 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.579 -13.245 -15.217 1.00 0.00 H new ATOM 862 N GLN A 52 -7.626 -11.211 -15.621 1.00 0.00 N ATOM 863 CA GLN A 52 -8.992 -10.735 -15.598 1.00 0.00 C ATOM 864 C GLN A 52 -9.184 -9.685 -14.514 1.00 0.00 C ATOM 865 O GLN A 52 -9.284 -8.494 -14.804 1.00 0.00 O ATOM 866 CB GLN A 52 -9.934 -11.918 -15.381 1.00 0.00 C ATOM 867 CG GLN A 52 -11.403 -11.546 -15.387 1.00 0.00 C ATOM 868 CD GLN A 52 -12.301 -12.728 -15.075 1.00 0.00 C ATOM 869 OE1 GLN A 52 -13.387 -12.570 -14.514 1.00 0.00 O ATOM 870 NE2 GLN A 52 -11.851 -13.924 -15.425 1.00 0.00 N ATOM 0 H GLN A 52 -7.468 -12.054 -15.069 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.222 -10.264 -16.554 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.754 -12.660 -16.159 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.693 -12.391 -14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.578 -10.757 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.668 -11.140 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.946 -14.013 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.409 -14.756 -15.232 1.00 0.00 H new ATOM 879 N ARG A 53 -9.220 -10.127 -13.269 1.00 0.00 N ATOM 880 CA ARG A 53 -9.451 -9.234 -12.148 1.00 0.00 C ATOM 881 C ARG A 53 -8.712 -9.719 -10.909 1.00 0.00 C ATOM 882 O ARG A 53 -9.149 -9.495 -9.782 1.00 0.00 O ATOM 883 CB ARG A 53 -10.951 -9.126 -11.867 1.00 0.00 C ATOM 884 CG ARG A 53 -11.633 -10.464 -11.616 1.00 0.00 C ATOM 885 CD ARG A 53 -13.126 -10.289 -11.401 1.00 0.00 C ATOM 886 NE ARG A 53 -13.822 -11.569 -11.275 1.00 0.00 N ATOM 887 CZ ARG A 53 -15.148 -11.697 -11.303 1.00 0.00 C ATOM 888 NH1 ARG A 53 -15.910 -10.625 -11.458 1.00 0.00 N ATOM 889 NH2 ARG A 53 -15.710 -12.895 -11.190 1.00 0.00 N ATOM 0 H ARG A 53 -9.091 -11.105 -13.009 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.067 -8.247 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.102 -8.485 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.434 -8.637 -12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.461 -11.127 -12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.191 -10.942 -10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.294 -9.696 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.548 -9.729 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.260 -12.412 -11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.482 -9.705 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.925 -10.720 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.126 -13.724 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.726 -12.986 -11.212 1.00 0.00 H new ATOM 903 N HIS A 54 -7.593 -10.387 -11.120 1.00 0.00 N ATOM 904 CA HIS A 54 -6.809 -10.905 -10.013 1.00 0.00 C ATOM 905 C HIS A 54 -5.326 -10.654 -10.247 1.00 0.00 C ATOM 906 O HIS A 54 -4.843 -10.748 -11.375 1.00 0.00 O ATOM 907 CB HIS A 54 -7.068 -12.403 -9.826 1.00 0.00 C ATOM 908 CG HIS A 54 -6.391 -12.981 -8.623 1.00 0.00 C ATOM 909 ND1 HIS A 54 -5.167 -13.611 -8.676 1.00 0.00 N ATOM 910 CD2 HIS A 54 -6.772 -13.012 -7.326 1.00 0.00 C ATOM 911 CE1 HIS A 54 -4.824 -13.999 -7.465 1.00 0.00 C ATOM 912 NE2 HIS A 54 -5.780 -13.648 -6.628 1.00 0.00 N ATOM 0 H HIS A 54 -7.207 -10.583 -12.044 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.112 -10.383 -9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.142 -12.570 -9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.729 -12.936 -10.715 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -4.613 -13.754 -9.521 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.687 -12.610 -6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.914 -14.517 -7.202 1.00 0.00 H new ATOM 921 N SER A 55 -4.618 -10.328 -9.180 1.00 0.00 N ATOM 922 CA SER A 55 -3.183 -10.121 -9.238 1.00 0.00 C ATOM 923 C SER A 55 -2.516 -10.809 -8.054 1.00 0.00 C ATOM 924 O SER A 55 -2.799 -10.482 -6.902 1.00 0.00 O ATOM 925 CB SER A 55 -2.876 -8.621 -9.232 1.00 0.00 C ATOM 926 OG SER A 55 -3.529 -7.974 -8.151 1.00 0.00 O ATOM 0 H SER A 55 -5.021 -10.200 -8.252 1.00 0.00 H new ATOM 0 HA SER A 55 -2.790 -10.553 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.800 -8.466 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.197 -8.176 -10.174 1.00 0.00 H new ATOM 0 HG SER A 55 -3.608 -8.595 -7.397 1.00 0.00 H new ATOM 932 N GLY A 56 -1.662 -11.781 -8.330 1.00 0.00 N ATOM 933 CA GLY A 56 -1.013 -12.505 -7.260 1.00 0.00 C ATOM 934 C GLY A 56 0.404 -12.909 -7.602 1.00 0.00 C ATOM 935 O GLY A 56 0.774 -12.975 -8.775 1.00 0.00 O ATOM 0 H GLY A 56 -1.408 -12.080 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.003 -11.887 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.594 -13.397 -7.026 1.00 0.00 H new ATOM 939 N LEU A 57 1.198 -13.176 -6.578 1.00 0.00 N ATOM 940 CA LEU A 57 2.581 -13.588 -6.768 1.00 0.00 C ATOM 941 C LEU A 57 2.659 -15.094 -6.992 1.00 0.00 C ATOM 942 O LEU A 57 3.601 -15.598 -7.599 1.00 0.00 O ATOM 943 CB LEU A 57 3.418 -13.171 -5.555 1.00 0.00 C ATOM 944 CG LEU A 57 3.042 -13.848 -4.238 1.00 0.00 C ATOM 945 CD1 LEU A 57 3.911 -15.070 -3.997 1.00 0.00 C ATOM 946 CD2 LEU A 57 3.151 -12.869 -3.085 1.00 0.00 C ATOM 0 H LEU A 57 0.908 -13.115 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 57 2.983 -13.095 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.466 -13.383 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.331 -12.092 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 57 2.006 -14.179 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.628 -15.538 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.772 -15.781 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.958 -14.769 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.879 -13.370 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.175 -12.503 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.477 -12.030 -3.255 1.00 0.00 H new ATOM 958 N THR A 58 1.650 -15.803 -6.498 1.00 0.00 N ATOM 959 CA THR A 58 1.569 -17.250 -6.656 1.00 0.00 C ATOM 960 C THR A 58 1.196 -17.623 -8.095 1.00 0.00 C ATOM 961 O THR A 58 1.241 -18.791 -8.483 1.00 0.00 O ATOM 962 CB THR A 58 0.531 -17.849 -5.684 1.00 0.00 C ATOM 963 OG1 THR A 58 0.628 -17.200 -4.407 1.00 0.00 O ATOM 964 CG2 THR A 58 0.749 -19.345 -5.503 1.00 0.00 C ATOM 0 H THR A 58 0.871 -15.395 -5.981 1.00 0.00 H new ATOM 0 HA THR A 58 2.552 -17.662 -6.427 1.00 0.00 H new ATOM 0 HB THR A 58 -0.460 -17.689 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.034 -17.583 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.004 -19.740 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.654 -19.846 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.746 -19.521 -5.100 1.00 0.00 H new ATOM 972 N GLU A 59 0.829 -16.622 -8.882 1.00 0.00 N ATOM 973 CA GLU A 59 0.482 -16.836 -10.276 1.00 0.00 C ATOM 974 C GLU A 59 1.744 -17.056 -11.099 1.00 0.00 C ATOM 975 O GLU A 59 2.713 -16.305 -10.960 1.00 0.00 O ATOM 976 CB GLU A 59 -0.286 -15.631 -10.827 1.00 0.00 C ATOM 977 CG GLU A 59 -1.472 -15.221 -9.971 1.00 0.00 C ATOM 978 CD GLU A 59 -2.213 -14.027 -10.536 1.00 0.00 C ATOM 979 OE1 GLU A 59 -1.561 -13.009 -10.855 1.00 0.00 O ATOM 980 OE2 GLU A 59 -3.455 -14.094 -10.647 1.00 0.00 O ATOM 0 H GLU A 59 0.764 -15.651 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.152 -17.720 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.396 -14.786 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.638 -15.864 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.160 -16.062 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.125 -14.986 -8.965 1.00 0.00 H new ATOM 987 N GLN A 60 1.733 -18.093 -11.932 1.00 0.00 N ATOM 988 CA GLN A 60 2.840 -18.373 -12.845 1.00 0.00 C ATOM 989 C GLN A 60 4.137 -18.587 -12.074 1.00 0.00 C ATOM 990 O GLN A 60 5.171 -18.000 -12.391 1.00 0.00 O ATOM 991 CB GLN A 60 2.992 -17.226 -13.850 1.00 0.00 C ATOM 992 CG GLN A 60 1.693 -16.899 -14.564 1.00 0.00 C ATOM 993 CD GLN A 60 1.231 -18.011 -15.483 1.00 0.00 C ATOM 994 OE1 GLN A 60 2.042 -18.727 -16.070 1.00 0.00 O ATOM 995 NE2 GLN A 60 -0.074 -18.180 -15.603 1.00 0.00 N ATOM 0 H GLN A 60 0.963 -18.759 -11.994 1.00 0.00 H new ATOM 0 HA GLN A 60 2.618 -19.291 -13.390 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.350 -16.337 -13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.750 -17.491 -14.587 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.918 -16.700 -13.824 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.823 -15.985 -15.144 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.716 -17.567 -15.101 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.439 -18.924 -16.198 1.00 0.00 H new ATOM 1004 N THR A 61 4.055 -19.434 -11.057 1.00 0.00 N ATOM 1005 CA THR A 61 5.185 -19.730 -10.183 1.00 0.00 C ATOM 1006 C THR A 61 6.404 -20.194 -10.973 1.00 0.00 C ATOM 1007 O THR A 61 7.398 -19.475 -11.089 1.00 0.00 O ATOM 1008 CB THR A 61 4.808 -20.808 -9.153 1.00 0.00 C ATOM 1009 OG1 THR A 61 4.006 -21.824 -9.777 1.00 0.00 O ATOM 1010 CG2 THR A 61 4.053 -20.201 -7.983 1.00 0.00 C ATOM 0 H THR A 61 3.202 -19.937 -10.813 1.00 0.00 H new ATOM 0 HA THR A 61 5.439 -18.804 -9.667 1.00 0.00 H new ATOM 0 HB THR A 61 5.727 -21.255 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.771 -22.508 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.798 -20.984 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.679 -19.454 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.140 -19.729 -8.345 1.00 0.00 H new ATOM 1018 N TYR A 62 6.324 -21.395 -11.516 1.00 0.00 N ATOM 1019 CA TYR A 62 7.387 -21.911 -12.359 1.00 0.00 C ATOM 1020 C TYR A 62 7.028 -21.680 -13.820 1.00 0.00 C ATOM 1021 O TYR A 62 6.871 -22.616 -14.604 1.00 0.00 O ATOM 1022 CB TYR A 62 7.629 -23.396 -12.093 1.00 0.00 C ATOM 1023 CG TYR A 62 8.978 -23.879 -12.583 1.00 0.00 C ATOM 1024 CD1 TYR A 62 10.131 -23.616 -11.853 1.00 0.00 C ATOM 1025 CD2 TYR A 62 9.104 -24.587 -13.773 1.00 0.00 C ATOM 1026 CE1 TYR A 62 11.367 -24.041 -12.295 1.00 0.00 C ATOM 1027 CE2 TYR A 62 10.339 -25.017 -14.219 1.00 0.00 C ATOM 1028 CZ TYR A 62 11.468 -24.741 -13.476 1.00 0.00 C ATOM 1029 OH TYR A 62 12.703 -25.163 -13.918 1.00 0.00 O ATOM 0 H TYR A 62 5.536 -22.030 -11.389 1.00 0.00 H new ATOM 0 HA TYR A 62 8.310 -21.381 -12.125 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.550 -23.584 -11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.845 -23.978 -12.577 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.058 -23.070 -10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.223 -24.804 -14.358 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.253 -23.825 -11.716 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.420 -25.567 -15.145 1.00 0.00 H new ATOM 0 HH TYR A 62 12.600 -25.643 -14.766 1.00 0.00 H new ATOM 1039 N SER A 63 6.845 -20.420 -14.159 1.00 0.00 N ATOM 1040 CA SER A 63 6.517 -20.020 -15.512 1.00 0.00 C ATOM 1041 C SER A 63 7.084 -18.633 -15.778 1.00 0.00 C ATOM 1042 O SER A 63 7.517 -17.955 -14.842 1.00 0.00 O ATOM 1043 CB SER A 63 5.000 -20.031 -15.708 1.00 0.00 C ATOM 1044 OG SER A 63 4.457 -21.309 -15.407 1.00 0.00 O ATOM 0 H SER A 63 6.920 -19.643 -13.502 1.00 0.00 H new ATOM 0 HA SER A 63 6.957 -20.723 -16.219 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.542 -19.277 -15.068 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.761 -19.763 -16.737 1.00 0.00 H new ATOM 0 HG SER A 63 3.486 -21.291 -15.538 1.00 0.00 H new ATOM 1050 N ALA A 64 7.088 -18.224 -17.046 1.00 0.00 N ATOM 1051 CA ALA A 64 7.641 -16.935 -17.450 1.00 0.00 C ATOM 1052 C ALA A 64 9.090 -16.808 -16.997 1.00 0.00 C ATOM 1053 O ALA A 64 9.410 -16.024 -16.099 1.00 0.00 O ATOM 1054 CB ALA A 64 6.799 -15.789 -16.909 1.00 0.00 C ATOM 0 H ALA A 64 6.710 -18.774 -17.817 1.00 0.00 H new ATOM 0 HA ALA A 64 7.619 -16.881 -18.538 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.232 -14.839 -17.224 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.783 -15.870 -17.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.778 -15.835 -15.820 1.00 0.00 H new ATOM 1060 N LEU A 65 9.949 -17.604 -17.619 1.00 0.00 N ATOM 1061 CA LEU A 65 11.366 -17.654 -17.284 1.00 0.00 C ATOM 1062 C LEU A 65 11.989 -16.261 -17.370 1.00 0.00 C ATOM 1063 O LEU A 65 11.974 -15.633 -18.431 1.00 0.00 O ATOM 1064 CB LEU A 65 12.075 -18.627 -18.237 1.00 0.00 C ATOM 1065 CG LEU A 65 13.319 -19.318 -17.681 1.00 0.00 C ATOM 1066 CD1 LEU A 65 13.723 -20.472 -18.581 1.00 0.00 C ATOM 1067 CD2 LEU A 65 14.478 -18.344 -17.528 1.00 0.00 C ATOM 0 H LEU A 65 9.682 -18.236 -18.374 1.00 0.00 H new ATOM 0 HA LEU A 65 11.483 -18.007 -16.259 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.362 -19.394 -18.539 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.358 -18.082 -19.138 1.00 0.00 H new ATOM 0 HG LEU A 65 13.072 -19.702 -16.691 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.611 -20.957 -18.175 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.908 -21.194 -18.635 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.941 -20.095 -19.580 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.346 -18.870 -17.130 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.726 -17.918 -18.500 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.194 -17.545 -16.844 1.00 0.00 H new ATOM 1079 N PRO A 66 12.520 -15.762 -16.237 1.00 0.00 N ATOM 1080 CA PRO A 66 13.125 -14.429 -16.148 1.00 0.00 C ATOM 1081 C PRO A 66 14.124 -14.153 -17.265 1.00 0.00 C ATOM 1082 O PRO A 66 15.146 -14.836 -17.387 1.00 0.00 O ATOM 1083 CB PRO A 66 13.835 -14.455 -14.796 1.00 0.00 C ATOM 1084 CG PRO A 66 13.051 -15.421 -13.981 1.00 0.00 C ATOM 1085 CD PRO A 66 12.559 -16.468 -14.940 1.00 0.00 C ATOM 0 HA PRO A 66 12.377 -13.642 -16.245 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.873 -14.773 -14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.849 -13.467 -14.336 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.669 -15.866 -13.201 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.218 -14.925 -13.483 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.228 -17.328 -14.972 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.574 -16.840 -14.657 1.00 0.00 H new ATOM 1093 N GLU A 67 13.811 -13.157 -18.082 1.00 0.00 N ATOM 1094 CA GLU A 67 14.680 -12.753 -19.174 1.00 0.00 C ATOM 1095 C GLU A 67 15.963 -12.145 -18.621 1.00 0.00 C ATOM 1096 O GLU A 67 15.920 -11.395 -17.647 1.00 0.00 O ATOM 1097 CB GLU A 67 13.966 -11.735 -20.065 1.00 0.00 C ATOM 1098 CG GLU A 67 12.654 -12.245 -20.636 1.00 0.00 C ATOM 1099 CD GLU A 67 11.986 -11.237 -21.547 1.00 0.00 C ATOM 1100 OE1 GLU A 67 11.221 -10.388 -21.047 1.00 0.00 O ATOM 1101 OE2 GLU A 67 12.215 -11.296 -22.776 1.00 0.00 O ATOM 0 H GLU A 67 12.953 -12.611 -18.006 1.00 0.00 H new ATOM 0 HA GLU A 67 14.929 -13.632 -19.769 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.775 -10.830 -19.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.627 -11.456 -20.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.836 -13.166 -21.190 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.978 -12.494 -19.818 1.00 0.00 H new ATOM 1108 N PRO A 68 17.120 -12.478 -19.219 1.00 0.00 N ATOM 1109 CA PRO A 68 18.415 -11.938 -18.797 1.00 0.00 C ATOM 1110 C PRO A 68 18.424 -10.415 -18.813 1.00 0.00 C ATOM 1111 O PRO A 68 18.468 -9.792 -19.876 1.00 0.00 O ATOM 1112 CB PRO A 68 19.397 -12.490 -19.833 1.00 0.00 C ATOM 1113 CG PRO A 68 18.730 -13.704 -20.379 1.00 0.00 C ATOM 1114 CD PRO A 68 17.257 -13.413 -20.349 1.00 0.00 C ATOM 0 HA PRO A 68 18.663 -12.222 -17.774 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.595 -11.761 -20.618 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.356 -12.737 -19.377 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.067 -13.911 -21.395 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.967 -14.583 -19.779 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.916 -12.968 -21.283 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.671 -14.319 -20.195 1.00 0.00 H new ATOM 1122 N LYS A 69 18.362 -9.826 -17.629 1.00 0.00 N ATOM 1123 CA LYS A 69 18.312 -8.381 -17.478 1.00 0.00 C ATOM 1124 C LYS A 69 19.335 -7.933 -16.443 1.00 0.00 C ATOM 1125 O LYS A 69 19.109 -6.997 -15.671 1.00 0.00 O ATOM 1126 CB LYS A 69 16.899 -7.947 -17.074 1.00 0.00 C ATOM 1127 CG LYS A 69 16.390 -8.630 -15.813 1.00 0.00 C ATOM 1128 CD LYS A 69 14.911 -8.364 -15.581 1.00 0.00 C ATOM 1129 CE LYS A 69 14.049 -9.027 -16.645 1.00 0.00 C ATOM 1130 NZ LYS A 69 12.599 -8.814 -16.400 1.00 0.00 N ATOM 0 H LYS A 69 18.345 -10.336 -16.746 1.00 0.00 H new ATOM 0 HA LYS A 69 18.557 -7.909 -18.430 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.889 -6.868 -16.922 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.214 -8.160 -17.895 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.558 -9.704 -15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.961 -8.278 -14.954 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.624 -8.734 -14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.729 -7.289 -15.583 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.313 -8.629 -17.625 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.260 -10.096 -16.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.048 -9.282 -17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.340 -9.216 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.392 -7.795 -16.404 1.00 0.00 H new ATOM 1144 N ALA A 70 20.476 -8.604 -16.450 1.00 0.00 N ATOM 1145 CA ALA A 70 21.533 -8.350 -15.485 1.00 0.00 C ATOM 1146 C ALA A 70 22.409 -7.180 -15.922 1.00 0.00 C ATOM 1147 O ALA A 70 23.636 -7.257 -15.880 1.00 0.00 O ATOM 1148 CB ALA A 70 22.372 -9.605 -15.288 1.00 0.00 C ATOM 0 H ALA A 70 20.695 -9.338 -17.123 1.00 0.00 H new ATOM 0 HA ALA A 70 21.072 -8.081 -14.535 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.161 -9.405 -14.563 1.00 0.00 H new ATOM 0 HB2 ALA A 70 21.738 -10.412 -14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.818 -9.898 -16.239 1.00 0.00 H new ATOM 1154 N THR A 71 21.771 -6.104 -16.348 1.00 0.00 N ATOM 1155 CA THR A 71 22.484 -4.906 -16.741 1.00 0.00 C ATOM 1156 C THR A 71 22.871 -4.111 -15.499 1.00 0.00 C ATOM 1157 O THR A 71 24.030 -4.228 -15.051 1.00 0.00 O ATOM 1158 CB THR A 71 21.632 -4.030 -17.678 1.00 0.00 C ATOM 1159 OG1 THR A 71 21.072 -4.839 -18.722 1.00 0.00 O ATOM 1160 CG2 THR A 71 22.466 -2.917 -18.294 1.00 0.00 C ATOM 1161 OXT THR A 71 21.999 -3.406 -14.946 1.00 0.00 O ATOM 0 H THR A 71 20.756 -6.038 -16.430 1.00 0.00 H new ATOM 0 HA THR A 71 23.382 -5.204 -17.282 1.00 0.00 H new ATOM 0 HB THR A 71 20.833 -3.579 -17.089 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.529 -4.278 -19.315 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.839 -2.314 -18.951 1.00 0.00 H new ATOM 0 HG22 THR A 71 22.874 -2.287 -17.503 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.283 -3.351 -18.870 1.00 0.00 H new TER 1169 THR A 71