USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 940 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: B 11 LYS NZ :NH3+ 139:sc= 0.141 (180deg=0) USER MOD Set 1.2: B 53 GLN : amide:sc= -4.46! K(o=-4.3!,f=-2.2) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.01 K(o=2.2,f=-0.89) USER MOD Set 2.2: B 48 TYR OH : rot 39:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.113 (180deg=-0.469) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 18 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 20 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -163:sc= -0.0411 (180deg=-0.396) USER MOD Single : A 27 HIS : no HD1:sc= 1.01 K(o=1,f=-5.9!) USER MOD Single : A 35 THR OG1 : rot 163:sc= 1.3 USER MOD Single : A 41 MET CE :methyl -166:sc= -0.114 (180deg=-0.372) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc=-0.00858 (180deg=-0.123) USER MOD Single : A 47 THR OG1 : rot 74:sc= 0.8 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 110:sc= -0.714 USER MOD Single : A 53 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.063) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0.712) USER MOD Single : A 60 SER OG : rot 74:sc= 1.25 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -171:sc= -0.0188 (180deg=-0.145) USER MOD Single : B 14 LYS NZ :NH3+ 170:sc=-0.00483 (180deg=-0.135) USER MOD Single : B 16 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 20 THR OG1 : rot 92:sc= 1.22 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.8!) USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.9!) USER MOD Single : B 41 MET CE :methyl 156:sc= -0.183 (180deg=-0.799) USER MOD Single : B 46 LYS NZ :NH3+ -153:sc= 2.32 (180deg=1.74) USER MOD Single : B 47 THR OG1 : rot 81:sc= 0.217 USER MOD Single : B 51 TYR OH : rot 166:sc= -1.27 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 29.958 -7.808 -14.060 1.00 0.00 N ATOM 54 CA ALA A 5 29.031 -8.839 -13.588 1.00 0.00 C ATOM 55 C ALA A 5 29.068 -8.956 -12.069 1.00 0.00 C ATOM 56 O ALA A 5 28.080 -9.335 -11.440 1.00 0.00 O ATOM 57 CB ALA A 5 29.355 -10.179 -14.230 1.00 0.00 C ATOM 0 HA ALA A 5 28.023 -8.545 -13.880 1.00 0.00 H new ATOM 0 HB1 ALA A 5 28.657 -10.934 -13.868 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.269 -10.094 -15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.372 -10.471 -13.969 1.00 0.00 H new ATOM 63 N GLU A 6 30.206 -8.607 -11.489 1.00 0.00 N ATOM 64 CA GLU A 6 30.373 -8.635 -10.043 1.00 0.00 C ATOM 65 C GLU A 6 29.463 -7.606 -9.383 1.00 0.00 C ATOM 66 O GLU A 6 28.792 -7.890 -8.391 1.00 0.00 O ATOM 67 CB GLU A 6 31.828 -8.348 -9.676 1.00 0.00 C ATOM 68 CG GLU A 6 32.831 -9.155 -10.481 1.00 0.00 C ATOM 69 CD GLU A 6 32.583 -10.647 -10.406 1.00 0.00 C ATOM 70 OE1 GLU A 6 32.683 -11.216 -9.300 1.00 0.00 O ATOM 71 OE2 GLU A 6 32.307 -11.257 -11.458 1.00 0.00 O ATOM 0 H GLU A 6 31.033 -8.299 -12.001 1.00 0.00 H new ATOM 0 HA GLU A 6 30.102 -9.628 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.028 -7.287 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.974 -8.557 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.793 -8.837 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 6 33.837 -8.940 -10.119 1.00 0.00 H new ATOM 78 N GLU A 7 29.448 -6.408 -9.951 1.00 0.00 N ATOM 79 CA GLU A 7 28.597 -5.335 -9.459 1.00 0.00 C ATOM 80 C GLU A 7 27.141 -5.648 -9.755 1.00 0.00 C ATOM 81 O GLU A 7 26.255 -5.353 -8.958 1.00 0.00 O ATOM 82 CB GLU A 7 28.981 -4.014 -10.114 1.00 0.00 C ATOM 83 CG GLU A 7 28.283 -2.810 -9.500 1.00 0.00 C ATOM 84 CD GLU A 7 28.775 -1.496 -10.060 1.00 0.00 C ATOM 85 OE1 GLU A 7 28.327 -1.103 -11.157 1.00 0.00 O ATOM 86 OE2 GLU A 7 29.606 -0.841 -9.398 1.00 0.00 O ATOM 0 H GLU A 7 30.019 -6.155 -10.757 1.00 0.00 H new ATOM 0 HA GLU A 7 28.734 -5.249 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.060 -3.878 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.742 -4.061 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.210 -2.893 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.436 -2.819 -8.421 1.00 0.00 H new ATOM 93 N LEU A 8 26.915 -6.255 -10.909 1.00 0.00 N ATOM 94 CA LEU A 8 25.585 -6.671 -11.324 1.00 0.00 C ATOM 95 C LEU A 8 24.979 -7.618 -10.294 1.00 0.00 C ATOM 96 O LEU A 8 23.847 -7.429 -9.850 1.00 0.00 O ATOM 97 CB LEU A 8 25.658 -7.352 -12.696 1.00 0.00 C ATOM 98 CG LEU A 8 25.419 -6.453 -13.920 1.00 0.00 C ATOM 99 CD1 LEU A 8 23.963 -6.036 -13.999 1.00 0.00 C ATOM 100 CD2 LEU A 8 26.316 -5.225 -13.882 1.00 0.00 C ATOM 0 H LEU A 8 27.648 -6.473 -11.584 1.00 0.00 H new ATOM 0 HA LEU A 8 24.947 -5.791 -11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.641 -7.812 -12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 8 24.925 -8.158 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 8 25.668 -7.029 -14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.813 -5.400 -14.872 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.335 -6.923 -14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.693 -5.485 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.125 -4.608 -14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.106 -4.649 -12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.360 -5.537 -13.878 1.00 0.00 H new ATOM 112 N LYS A 9 25.752 -8.622 -9.897 1.00 0.00 N ATOM 113 CA LYS A 9 25.293 -9.594 -8.911 1.00 0.00 C ATOM 114 C LYS A 9 25.096 -8.930 -7.553 1.00 0.00 C ATOM 115 O LYS A 9 24.131 -9.221 -6.848 1.00 0.00 O ATOM 116 CB LYS A 9 26.302 -10.739 -8.785 1.00 0.00 C ATOM 117 CG LYS A 9 25.680 -12.076 -8.409 1.00 0.00 C ATOM 118 CD LYS A 9 24.931 -12.675 -9.586 1.00 0.00 C ATOM 119 CE LYS A 9 24.349 -14.039 -9.251 1.00 0.00 C ATOM 120 NZ LYS A 9 23.831 -14.731 -10.460 1.00 0.00 N ATOM 0 H LYS A 9 26.698 -8.785 -10.242 1.00 0.00 H new ATOM 0 HA LYS A 9 24.337 -9.995 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.830 -10.850 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.046 -10.473 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.459 -12.764 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.998 -11.941 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.128 -12.001 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.606 -12.767 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.115 -14.655 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.543 -13.922 -8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.443 -15.657 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.082 -14.155 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.605 -14.865 -11.141 1.00 0.00 H new ATOM 134 N ALA A 10 26.009 -8.035 -7.195 1.00 0.00 N ATOM 135 CA ALA A 10 25.927 -7.322 -5.925 1.00 0.00 C ATOM 136 C ALA A 10 24.698 -6.422 -5.886 1.00 0.00 C ATOM 137 O ALA A 10 24.014 -6.326 -4.865 1.00 0.00 O ATOM 138 CB ALA A 10 27.190 -6.506 -5.694 1.00 0.00 C ATOM 0 H ALA A 10 26.816 -7.785 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 10 25.835 -8.058 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.114 -5.980 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.054 -7.171 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.308 -5.782 -6.501 1.00 0.00 H new ATOM 144 N LYS A 11 24.419 -5.771 -7.008 1.00 0.00 N ATOM 145 CA LYS A 11 23.271 -4.888 -7.113 1.00 0.00 C ATOM 146 C LYS A 11 21.986 -5.696 -7.015 1.00 0.00 C ATOM 147 O LYS A 11 21.072 -5.336 -6.272 1.00 0.00 O ATOM 148 CB LYS A 11 23.304 -4.115 -8.433 1.00 0.00 C ATOM 149 CG LYS A 11 22.434 -2.867 -8.436 1.00 0.00 C ATOM 150 CD LYS A 11 23.091 -1.739 -7.655 1.00 0.00 C ATOM 151 CE LYS A 11 22.225 -0.492 -7.635 1.00 0.00 C ATOM 152 NZ LYS A 11 22.968 0.684 -7.114 1.00 0.00 N ATOM 0 H LYS A 11 24.976 -5.840 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 11 23.308 -4.171 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.333 -3.829 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.979 -4.775 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.256 -2.547 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.462 -3.097 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 11 23.281 -2.067 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.058 -1.504 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.869 -0.280 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.345 -0.670 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.345 1.517 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 23.286 0.491 -6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.794 0.869 -7.719 1.00 0.00 H new ATOM 166 N LEU A 12 21.930 -6.799 -7.756 1.00 0.00 N ATOM 167 CA LEU A 12 20.786 -7.698 -7.703 1.00 0.00 C ATOM 168 C LEU A 12 20.599 -8.212 -6.286 1.00 0.00 C ATOM 169 O LEU A 12 19.486 -8.246 -5.770 1.00 0.00 O ATOM 170 CB LEU A 12 20.980 -8.875 -8.659 1.00 0.00 C ATOM 171 CG LEU A 12 19.827 -9.884 -8.687 1.00 0.00 C ATOM 172 CD1 LEU A 12 18.568 -9.253 -9.263 1.00 0.00 C ATOM 173 CD2 LEU A 12 20.218 -11.121 -9.480 1.00 0.00 C ATOM 0 H LEU A 12 22.665 -7.090 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 12 19.897 -7.146 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.126 -8.485 -9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.895 -9.400 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 12 19.615 -10.186 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.764 -9.989 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.274 -8.402 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.763 -8.916 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.386 -11.826 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.462 -10.835 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.086 -11.590 -9.018 1.00 0.00 H new ATOM 185 N LYS A 13 21.706 -8.600 -5.664 1.00 0.00 N ATOM 186 CA LYS A 13 21.698 -9.060 -4.279 1.00 0.00 C ATOM 187 C LYS A 13 21.085 -8.006 -3.365 1.00 0.00 C ATOM 188 O LYS A 13 20.181 -8.295 -2.579 1.00 0.00 O ATOM 189 CB LYS A 13 23.128 -9.360 -3.826 1.00 0.00 C ATOM 190 CG LYS A 13 23.244 -9.786 -2.372 1.00 0.00 C ATOM 191 CD LYS A 13 22.436 -11.039 -2.084 1.00 0.00 C ATOM 192 CE LYS A 13 22.513 -11.411 -0.614 1.00 0.00 C ATOM 193 NZ LYS A 13 21.733 -12.637 -0.301 1.00 0.00 N ATOM 0 H LYS A 13 22.628 -8.605 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 13 21.096 -9.967 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.540 -10.147 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.741 -8.472 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.291 -9.965 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 13 22.901 -8.976 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 13 21.396 -10.878 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 13 22.809 -11.864 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.555 -11.565 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.140 -10.582 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.815 -12.851 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 20.733 -12.483 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.104 -13.435 -0.855 1.00 0.00 H new ATOM 207 N LYS A 14 21.596 -6.789 -3.478 1.00 0.00 N ATOM 208 CA LYS A 14 21.143 -5.671 -2.681 1.00 0.00 C ATOM 209 C LYS A 14 19.644 -5.421 -2.853 1.00 0.00 C ATOM 210 O LYS A 14 18.914 -5.304 -1.870 1.00 0.00 O ATOM 211 CB LYS A 14 21.950 -4.445 -3.085 1.00 0.00 C ATOM 212 CG LYS A 14 21.623 -3.200 -2.301 1.00 0.00 C ATOM 213 CD LYS A 14 22.706 -2.164 -2.484 1.00 0.00 C ATOM 214 CE LYS A 14 24.017 -2.615 -1.851 1.00 0.00 C ATOM 215 NZ LYS A 14 23.872 -2.884 -0.391 1.00 0.00 N ATOM 0 H LYS A 14 22.342 -6.553 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 14 21.298 -5.893 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.010 -4.667 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.783 -4.248 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.665 -2.796 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.520 -3.445 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 14 22.858 -1.978 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.390 -1.221 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 14 24.370 -3.517 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.776 -1.848 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.811 -2.888 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 23.285 -2.143 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.419 -3.810 -0.252 1.00 0.00 H new ATOM 229 N LEU A 15 19.191 -5.353 -4.100 1.00 0.00 N ATOM 230 CA LEU A 15 17.773 -5.153 -4.387 1.00 0.00 C ATOM 231 C LEU A 15 16.949 -6.336 -3.884 1.00 0.00 C ATOM 232 O LEU A 15 15.880 -6.157 -3.298 1.00 0.00 O ATOM 233 CB LEU A 15 17.538 -4.956 -5.893 1.00 0.00 C ATOM 234 CG LEU A 15 17.635 -3.509 -6.402 1.00 0.00 C ATOM 235 CD1 LEU A 15 16.593 -2.630 -5.726 1.00 0.00 C ATOM 236 CD2 LEU A 15 19.027 -2.938 -6.184 1.00 0.00 C ATOM 0 H LEU A 15 19.782 -5.433 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 15 17.453 -4.251 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.263 -5.562 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.550 -5.343 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 15 17.439 -3.523 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.679 -1.610 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.596 -3.014 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.756 -2.636 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.062 -1.914 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.261 -2.947 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.757 -3.544 -6.721 1.00 0.00 H new ATOM 248 N ASN A 16 17.469 -7.536 -4.104 1.00 0.00 N ATOM 249 CA ASN A 16 16.798 -8.769 -3.704 1.00 0.00 C ATOM 250 C ASN A 16 16.587 -8.812 -2.192 1.00 0.00 C ATOM 251 O ASN A 16 15.472 -9.041 -1.718 1.00 0.00 O ATOM 252 CB ASN A 16 17.619 -9.979 -4.158 1.00 0.00 C ATOM 253 CG ASN A 16 16.941 -11.299 -3.864 1.00 0.00 C ATOM 254 OD1 ASN A 16 17.127 -11.880 -2.797 1.00 0.00 O ATOM 255 ND2 ASN A 16 16.160 -11.791 -4.813 1.00 0.00 N ATOM 0 H ASN A 16 18.367 -7.684 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 16 15.819 -8.799 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.805 -9.903 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.590 -9.958 -3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.687 -12.683 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.032 -11.278 -5.685 1.00 0.00 H new ATOM 262 N ALA A 17 17.657 -8.570 -1.442 1.00 0.00 N ATOM 263 CA ALA A 17 17.596 -8.589 0.015 1.00 0.00 C ATOM 264 C ALA A 17 16.711 -7.462 0.539 1.00 0.00 C ATOM 265 O ALA A 17 15.906 -7.665 1.450 1.00 0.00 O ATOM 266 CB ALA A 17 18.994 -8.487 0.609 1.00 0.00 C ATOM 0 H ALA A 17 18.580 -8.358 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 17 17.156 -9.537 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.929 -8.503 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.596 -9.330 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.459 -7.555 0.287 1.00 0.00 H new ATOM 272 N GLN A 18 16.856 -6.280 -0.051 1.00 0.00 N ATOM 273 CA GLN A 18 16.077 -5.115 0.354 1.00 0.00 C ATOM 274 C GLN A 18 14.586 -5.359 0.157 1.00 0.00 C ATOM 275 O GLN A 18 13.786 -5.105 1.052 1.00 0.00 O ATOM 276 CB GLN A 18 16.515 -3.883 -0.440 1.00 0.00 C ATOM 277 CG GLN A 18 15.696 -2.638 -0.142 1.00 0.00 C ATOM 278 CD GLN A 18 16.127 -1.439 -0.965 1.00 0.00 C ATOM 279 OE1 GLN A 18 15.993 -0.297 -0.535 1.00 0.00 O ATOM 280 NE2 GLN A 18 16.644 -1.691 -2.156 1.00 0.00 N ATOM 0 H GLN A 18 17.509 -6.103 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 18 16.258 -4.939 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.563 -3.677 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.446 -4.105 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.644 -2.846 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.784 -2.396 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.739 -2.654 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.948 -0.922 -2.753 1.00 0.00 H new ATOM 289 N ALA A 19 14.222 -5.865 -1.013 1.00 0.00 N ATOM 290 CA ALA A 19 12.829 -6.151 -1.313 1.00 0.00 C ATOM 291 C ALA A 19 12.282 -7.215 -0.369 1.00 0.00 C ATOM 292 O ALA A 19 11.121 -7.157 0.035 1.00 0.00 O ATOM 293 CB ALA A 19 12.674 -6.587 -2.756 1.00 0.00 C ATOM 0 H ALA A 19 14.872 -6.085 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 19 12.253 -5.237 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.624 -6.797 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.021 -5.792 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.265 -7.486 -2.930 1.00 0.00 H new ATOM 299 N THR A 20 13.127 -8.180 -0.018 1.00 0.00 N ATOM 300 CA THR A 20 12.754 -9.211 0.942 1.00 0.00 C ATOM 301 C THR A 20 12.404 -8.577 2.287 1.00 0.00 C ATOM 302 O THR A 20 11.381 -8.903 2.893 1.00 0.00 O ATOM 303 CB THR A 20 13.892 -10.239 1.134 1.00 0.00 C ATOM 304 OG1 THR A 20 14.244 -10.817 -0.129 1.00 0.00 O ATOM 305 CG2 THR A 20 13.479 -11.344 2.093 1.00 0.00 C ATOM 0 H THR A 20 14.075 -8.269 -0.385 1.00 0.00 H new ATOM 0 HA THR A 20 11.883 -9.733 0.547 1.00 0.00 H new ATOM 0 HB THR A 20 14.750 -9.716 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.875 -10.229 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.300 -12.052 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.234 -10.911 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.606 -11.862 1.697 1.00 0.00 H new ATOM 313 N ALA A 21 13.244 -7.646 2.726 1.00 0.00 N ATOM 314 CA ALA A 21 13.017 -6.930 3.975 1.00 0.00 C ATOM 315 C ALA A 21 11.727 -6.117 3.917 1.00 0.00 C ATOM 316 O ALA A 21 10.918 -6.156 4.841 1.00 0.00 O ATOM 317 CB ALA A 21 14.199 -6.026 4.283 1.00 0.00 C ATOM 0 H ALA A 21 14.092 -7.369 2.232 1.00 0.00 H new ATOM 0 HA ALA A 21 12.915 -7.664 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.018 -5.496 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.103 -6.628 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.325 -5.304 3.476 1.00 0.00 H new ATOM 323 N LEU A 22 11.536 -5.391 2.819 1.00 0.00 N ATOM 324 CA LEU A 22 10.337 -4.579 2.630 1.00 0.00 C ATOM 325 C LEU A 22 9.077 -5.442 2.624 1.00 0.00 C ATOM 326 O LEU A 22 8.033 -5.030 3.129 1.00 0.00 O ATOM 327 CB LEU A 22 10.428 -3.769 1.329 1.00 0.00 C ATOM 328 CG LEU A 22 10.995 -2.348 1.471 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.122 -1.512 2.395 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.428 -2.374 1.980 1.00 0.00 C ATOM 0 H LEU A 22 12.198 -5.348 2.044 1.00 0.00 H new ATOM 0 HA LEU A 22 10.273 -3.888 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.048 -4.320 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.431 -3.701 0.893 1.00 0.00 H new ATOM 0 HG LEU A 22 10.996 -1.891 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.541 -0.509 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.114 -1.450 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.085 -1.977 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.801 -1.354 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.459 -2.859 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.053 -2.928 1.280 1.00 0.00 H new ATOM 342 N LYS A 23 9.175 -6.639 2.058 1.00 0.00 N ATOM 343 CA LYS A 23 8.045 -7.559 2.040 1.00 0.00 C ATOM 344 C LYS A 23 7.710 -8.018 3.454 1.00 0.00 C ATOM 345 O LYS A 23 6.543 -8.054 3.848 1.00 0.00 O ATOM 346 CB LYS A 23 8.343 -8.781 1.171 1.00 0.00 C ATOM 347 CG LYS A 23 7.132 -9.682 0.987 1.00 0.00 C ATOM 348 CD LYS A 23 7.482 -11.010 0.336 1.00 0.00 C ATOM 349 CE LYS A 23 8.335 -11.871 1.249 1.00 0.00 C ATOM 350 NZ LYS A 23 8.408 -13.273 0.765 1.00 0.00 N ATOM 0 H LYS A 23 10.019 -6.993 1.608 1.00 0.00 H new ATOM 0 HA LYS A 23 7.193 -7.026 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.695 -8.449 0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.152 -9.355 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.672 -9.868 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.391 -9.167 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.566 -11.544 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.015 -10.829 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.340 -11.453 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.921 -11.854 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.999 -13.833 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.451 -13.679 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.826 -13.290 -0.187 1.00 0.00 H new ATOM 364 N MET A 24 8.744 -8.366 4.212 1.00 0.00 N ATOM 365 CA MET A 24 8.573 -8.834 5.581 1.00 0.00 C ATOM 366 C MET A 24 8.004 -7.730 6.463 1.00 0.00 C ATOM 367 O MET A 24 7.187 -7.992 7.347 1.00 0.00 O ATOM 368 CB MET A 24 9.906 -9.332 6.150 1.00 0.00 C ATOM 369 CG MET A 24 10.453 -10.555 5.433 1.00 0.00 C ATOM 370 SD MET A 24 9.384 -11.998 5.601 1.00 0.00 S ATOM 371 CE MET A 24 9.564 -12.350 7.350 1.00 0.00 C ATOM 0 H MET A 24 9.714 -8.332 3.899 1.00 0.00 H new ATOM 0 HA MET A 24 7.867 -9.664 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.640 -8.528 6.091 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.775 -9.568 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.581 -10.324 4.375 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.441 -10.792 5.829 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.222 -13.365 7.554 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.612 -12.257 7.634 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.968 -11.643 7.927 1.00 0.00 H new ATOM 381 N ASP A 25 8.436 -6.498 6.216 1.00 0.00 N ATOM 382 CA ASP A 25 7.936 -5.345 6.959 1.00 0.00 C ATOM 383 C ASP A 25 6.467 -5.113 6.623 1.00 0.00 C ATOM 384 O ASP A 25 5.630 -4.975 7.514 1.00 0.00 O ATOM 385 CB ASP A 25 8.752 -4.095 6.620 1.00 0.00 C ATOM 386 CG ASP A 25 8.613 -2.991 7.656 1.00 0.00 C ATOM 387 OD1 ASP A 25 7.540 -2.866 8.282 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.596 -2.253 7.866 1.00 0.00 O ATOM 0 H ASP A 25 9.132 -6.271 5.506 1.00 0.00 H new ATOM 0 HA ASP A 25 8.035 -5.546 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.803 -4.369 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.436 -3.715 5.649 1.00 0.00 H new ATOM 393 N LEU A 26 6.157 -5.103 5.328 1.00 0.00 N ATOM 394 CA LEU A 26 4.787 -4.912 4.861 1.00 0.00 C ATOM 395 C LEU A 26 3.860 -5.978 5.437 1.00 0.00 C ATOM 396 O LEU A 26 2.755 -5.680 5.882 1.00 0.00 O ATOM 397 CB LEU A 26 4.734 -4.952 3.331 1.00 0.00 C ATOM 398 CG LEU A 26 3.343 -4.755 2.720 1.00 0.00 C ATOM 399 CD1 LEU A 26 2.770 -3.401 3.108 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.402 -4.894 1.209 1.00 0.00 C ATOM 0 H LEU A 26 6.840 -5.226 4.581 1.00 0.00 H new ATOM 0 HA LEU A 26 4.449 -3.935 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.397 -4.180 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.128 -5.911 2.995 1.00 0.00 H new ATOM 0 HG LEU A 26 2.685 -5.529 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.782 -3.283 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.689 -3.338 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.428 -2.610 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.405 -4.751 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.078 -4.143 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.765 -5.888 0.949 1.00 0.00 H new ATOM 412 N HIS A 27 4.325 -7.222 5.435 1.00 0.00 N ATOM 413 CA HIS A 27 3.549 -8.334 5.971 1.00 0.00 C ATOM 414 C HIS A 27 3.302 -8.150 7.470 1.00 0.00 C ATOM 415 O HIS A 27 2.239 -8.499 7.981 1.00 0.00 O ATOM 416 CB HIS A 27 4.268 -9.663 5.704 1.00 0.00 C ATOM 417 CG HIS A 27 3.507 -10.866 6.166 1.00 0.00 C ATOM 418 ND1 HIS A 27 4.034 -11.806 7.020 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.251 -11.284 5.881 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.141 -12.749 7.239 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.049 -12.456 6.559 1.00 0.00 N ATOM 0 H HIS A 27 5.239 -7.486 5.067 1.00 0.00 H new ATOM 0 HA HIS A 27 2.583 -8.353 5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.458 -9.754 4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.238 -9.646 6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.541 -10.785 5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.279 -13.615 7.869 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.194 -13.012 6.541 1.00 0.00 H new ATOM 430 N ASP A 28 4.289 -7.591 8.161 1.00 0.00 N ATOM 431 CA ASP A 28 4.183 -7.344 9.596 1.00 0.00 C ATOM 432 C ASP A 28 3.234 -6.181 9.879 1.00 0.00 C ATOM 433 O ASP A 28 2.453 -6.219 10.831 1.00 0.00 O ATOM 434 CB ASP A 28 5.570 -7.055 10.180 1.00 0.00 C ATOM 435 CG ASP A 28 5.532 -6.758 11.664 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.239 -7.682 12.456 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.825 -5.606 12.049 1.00 0.00 O ATOM 0 H ASP A 28 5.175 -7.299 7.749 1.00 0.00 H new ATOM 0 HA ASP A 28 3.776 -8.236 10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.220 -7.912 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.010 -6.207 9.656 1.00 0.00 H new ATOM 442 N LEU A 29 3.301 -5.158 9.037 1.00 0.00 N ATOM 443 CA LEU A 29 2.423 -3.996 9.158 1.00 0.00 C ATOM 444 C LEU A 29 0.978 -4.370 8.823 1.00 0.00 C ATOM 445 O LEU A 29 0.036 -3.838 9.406 1.00 0.00 O ATOM 446 CB LEU A 29 2.905 -2.870 8.239 1.00 0.00 C ATOM 447 CG LEU A 29 2.078 -1.582 8.293 1.00 0.00 C ATOM 448 CD1 LEU A 29 2.100 -0.984 9.690 1.00 0.00 C ATOM 449 CD2 LEU A 29 2.597 -0.579 7.277 1.00 0.00 C ATOM 0 H LEU A 29 3.957 -5.107 8.258 1.00 0.00 H new ATOM 0 HA LEU A 29 2.456 -3.648 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.937 -2.631 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.909 -3.237 7.213 1.00 0.00 H new ATOM 0 HG LEU A 29 1.045 -1.827 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.506 -0.070 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.682 -1.699 10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.128 -0.753 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.000 0.331 7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.638 -0.343 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.526 -1.005 6.276 1.00 0.00 H new ATOM 461 N ALA A 30 0.811 -5.287 7.881 1.00 0.00 N ATOM 462 CA ALA A 30 -0.514 -5.783 7.521 1.00 0.00 C ATOM 463 C ALA A 30 -1.084 -6.645 8.640 1.00 0.00 C ATOM 464 O ALA A 30 -2.299 -6.804 8.766 1.00 0.00 O ATOM 465 CB ALA A 30 -0.458 -6.566 6.217 1.00 0.00 C ATOM 0 H ALA A 30 1.576 -5.704 7.350 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.173 -4.927 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.455 -6.927 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.095 -5.918 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.217 -7.414 6.331 1.00 0.00 H new ATOM 471 N GLU A 31 -0.198 -7.227 9.432 1.00 0.00 N ATOM 472 CA GLU A 31 -0.608 -8.020 10.578 1.00 0.00 C ATOM 473 C GLU A 31 -0.961 -7.095 11.742 1.00 0.00 C ATOM 474 O GLU A 31 -1.989 -7.268 12.400 1.00 0.00 O ATOM 475 CB GLU A 31 0.516 -8.975 10.984 1.00 0.00 C ATOM 476 CG GLU A 31 0.041 -10.201 11.745 1.00 0.00 C ATOM 477 CD GLU A 31 -0.779 -11.135 10.881 1.00 0.00 C ATOM 478 OE1 GLU A 31 -0.184 -11.860 10.058 1.00 0.00 O ATOM 479 OE2 GLU A 31 -2.022 -11.146 11.017 1.00 0.00 O ATOM 0 H GLU A 31 0.812 -7.164 9.301 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.486 -8.609 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.045 -9.299 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.234 -8.434 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.904 -10.738 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.555 -9.885 12.601 1.00 0.00 H new ATOM 486 N ASP A 32 -0.110 -6.101 11.977 1.00 0.00 N ATOM 487 CA ASP A 32 -0.355 -5.108 13.018 1.00 0.00 C ATOM 488 C ASP A 32 -1.075 -3.901 12.421 1.00 0.00 C ATOM 489 O ASP A 32 -0.475 -2.858 12.152 1.00 0.00 O ATOM 490 CB ASP A 32 0.956 -4.682 13.689 1.00 0.00 C ATOM 491 CG ASP A 32 0.730 -3.767 14.882 1.00 0.00 C ATOM 492 OD1 ASP A 32 0.257 -4.256 15.931 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.054 -2.562 14.791 1.00 0.00 O ATOM 0 H ASP A 32 0.758 -5.961 11.459 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.989 -5.554 13.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.499 -5.570 14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.585 -4.173 12.959 1.00 0.00 H new ATOM 498 N LEU A 33 -2.360 -4.083 12.176 1.00 0.00 N ATOM 499 CA LEU A 33 -3.190 -3.070 11.537 1.00 0.00 C ATOM 500 C LEU A 33 -3.788 -2.099 12.547 1.00 0.00 C ATOM 501 O LEU A 33 -3.747 -2.357 13.748 1.00 0.00 O ATOM 502 CB LEU A 33 -4.220 -3.727 10.624 1.00 0.00 C ATOM 503 CG LEU A 33 -3.730 -3.904 9.187 1.00 0.00 C ATOM 504 CD1 LEU A 33 -4.768 -4.630 8.350 1.00 0.00 C ATOM 505 CD2 LEU A 33 -3.393 -2.544 8.576 1.00 0.00 C ATOM 0 H LEU A 33 -2.862 -4.939 12.414 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.559 -2.451 10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.487 -4.702 11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.128 -3.124 10.619 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.826 -4.512 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.398 -4.745 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.959 -5.613 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.693 -4.054 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.045 -2.681 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.283 -1.915 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.610 -2.065 9.164 1.00 0.00 H new ATOM 517 N PRO A 34 -4.422 -1.009 12.046 1.00 0.00 N ATOM 518 CA PRO A 34 -4.289 0.329 12.555 1.00 0.00 C ATOM 519 C PRO A 34 -3.425 0.471 13.798 1.00 0.00 C ATOM 520 O PRO A 34 -3.735 -0.006 14.890 1.00 0.00 O ATOM 521 CB PRO A 34 -5.749 0.673 12.793 1.00 0.00 C ATOM 522 CG PRO A 34 -6.458 0.019 11.635 1.00 0.00 C ATOM 523 CD PRO A 34 -5.491 -0.993 11.045 1.00 0.00 C ATOM 0 HA PRO A 34 -3.758 0.997 11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.102 0.287 13.749 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.911 1.751 12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.374 -0.470 11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.745 0.760 10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.951 -1.974 10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.127 -0.687 10.064 1.00 0.00 H new ATOM 531 N THR A 35 -2.414 1.286 13.581 1.00 0.00 N ATOM 532 CA THR A 35 -1.365 1.629 14.532 1.00 0.00 C ATOM 533 C THR A 35 -0.379 2.501 13.778 1.00 0.00 C ATOM 534 O THR A 35 -0.172 3.675 14.087 1.00 0.00 O ATOM 535 CB THR A 35 -0.602 0.391 15.062 1.00 0.00 C ATOM 536 OG1 THR A 35 -0.605 -0.639 14.063 1.00 0.00 O ATOM 537 CG2 THR A 35 -1.192 -0.129 16.367 1.00 0.00 C ATOM 0 H THR A 35 -2.291 1.757 12.685 1.00 0.00 H new ATOM 0 HA THR A 35 -1.816 2.120 15.394 1.00 0.00 H new ATOM 0 HB THR A 35 0.424 0.692 15.274 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.090 -1.298 14.271 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.625 -0.998 16.702 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.141 0.652 17.126 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.232 -0.413 16.208 1.00 0.00 H new ATOM 545 N GLY A 36 0.189 1.896 12.743 1.00 0.00 N ATOM 546 CA GLY A 36 1.034 2.605 11.809 1.00 0.00 C ATOM 547 C GLY A 36 0.443 2.577 10.414 1.00 0.00 C ATOM 548 O GLY A 36 1.165 2.533 9.422 1.00 0.00 O ATOM 0 H GLY A 36 0.074 0.904 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.157 3.638 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.027 2.155 11.797 1.00 0.00 H new ATOM 552 N TRP A 37 -0.886 2.580 10.349 1.00 0.00 N ATOM 553 CA TRP A 37 -1.616 2.578 9.086 1.00 0.00 C ATOM 554 C TRP A 37 -1.230 3.754 8.186 1.00 0.00 C ATOM 555 O TRP A 37 -1.424 3.700 6.975 1.00 0.00 O ATOM 556 CB TRP A 37 -3.128 2.580 9.346 1.00 0.00 C ATOM 557 CG TRP A 37 -3.620 3.743 10.164 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.670 3.826 11.528 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.152 4.982 9.671 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.190 5.038 11.911 1.00 0.00 N ATOM 561 CE2 TRP A 37 -4.493 5.766 10.790 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.367 5.506 8.394 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -5.040 7.043 10.667 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -4.910 6.773 8.274 1.00 0.00 C ATOM 565 CH2 TRP A 37 -5.239 7.529 9.404 1.00 0.00 C ATOM 0 H TRP A 37 -1.487 2.584 11.173 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.340 1.666 8.557 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.648 2.580 8.388 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.397 1.655 9.855 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.347 3.050 12.206 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.328 5.346 12.873 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.114 4.932 7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.297 7.627 11.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.083 7.185 7.291 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.658 8.516 9.277 1.00 0.00 H new ATOM 576 N ASN A 38 -0.685 4.814 8.769 1.00 0.00 N ATOM 577 CA ASN A 38 -0.212 5.941 7.974 1.00 0.00 C ATOM 578 C ASN A 38 1.009 5.525 7.153 1.00 0.00 C ATOM 579 O ASN A 38 1.205 5.984 6.032 1.00 0.00 O ATOM 580 CB ASN A 38 0.135 7.132 8.872 1.00 0.00 C ATOM 581 CG ASN A 38 0.562 8.355 8.083 1.00 0.00 C ATOM 582 OD1 ASN A 38 -0.267 9.175 7.688 1.00 0.00 O ATOM 583 ND2 ASN A 38 1.856 8.501 7.858 1.00 0.00 N ATOM 0 H ASN A 38 -0.560 4.918 9.776 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.010 6.245 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.730 7.384 9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.936 6.847 9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.196 9.313 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.515 7.802 8.200 1.00 0.00 H new ATOM 590 N ARG A 39 1.791 4.609 7.715 1.00 0.00 N ATOM 591 CA ARG A 39 3.029 4.136 7.094 1.00 0.00 C ATOM 592 C ARG A 39 2.725 3.120 5.992 1.00 0.00 C ATOM 593 O ARG A 39 3.618 2.715 5.249 1.00 0.00 O ATOM 594 CB ARG A 39 3.920 3.509 8.172 1.00 0.00 C ATOM 595 CG ARG A 39 5.304 3.106 7.696 1.00 0.00 C ATOM 596 CD ARG A 39 6.082 2.404 8.800 1.00 0.00 C ATOM 597 NE ARG A 39 7.378 1.918 8.335 1.00 0.00 N ATOM 598 CZ ARG A 39 7.743 0.637 8.345 1.00 0.00 C ATOM 599 NH1 ARG A 39 6.925 -0.296 8.823 1.00 0.00 N ATOM 600 NH2 ARG A 39 8.936 0.290 7.883 1.00 0.00 N ATOM 0 H ARG A 39 1.587 4.172 8.614 1.00 0.00 H new ATOM 0 HA ARG A 39 3.549 4.978 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.025 4.217 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.418 2.628 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.217 2.446 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.851 3.990 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.231 3.092 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.496 1.567 9.180 1.00 0.00 H new ATOM 0 HE ARG A 39 8.046 2.602 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.009 -0.033 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.214 -1.274 8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.570 1.003 7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.220 -0.690 7.889 1.00 0.00 H new ATOM 614 N ILE A 40 1.455 2.720 5.894 1.00 0.00 N ATOM 615 CA ILE A 40 1.010 1.773 4.869 1.00 0.00 C ATOM 616 C ILE A 40 1.428 2.238 3.473 1.00 0.00 C ATOM 617 O ILE A 40 1.899 1.442 2.660 1.00 0.00 O ATOM 618 CB ILE A 40 -0.526 1.564 4.924 1.00 0.00 C ATOM 619 CG1 ILE A 40 -0.890 0.688 6.127 1.00 0.00 C ATOM 620 CG2 ILE A 40 -1.054 0.952 3.631 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.377 0.447 6.276 1.00 0.00 C ATOM 0 H ILE A 40 0.713 3.040 6.516 1.00 0.00 H new ATOM 0 HA ILE A 40 1.493 0.818 5.077 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.999 2.539 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.383 -0.272 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.514 1.159 7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.133 0.820 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.826 1.614 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.580 -0.016 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.558 -0.181 7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.889 1.401 6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.756 -0.053 5.384 1.00 0.00 H new ATOM 633 N MET A 41 1.284 3.536 3.221 1.00 0.00 N ATOM 634 CA MET A 41 1.676 4.111 1.941 1.00 0.00 C ATOM 635 C MET A 41 3.181 4.016 1.759 1.00 0.00 C ATOM 636 O MET A 41 3.657 3.495 0.754 1.00 0.00 O ATOM 637 CB MET A 41 1.234 5.574 1.833 1.00 0.00 C ATOM 638 CG MET A 41 -0.272 5.757 1.864 1.00 0.00 C ATOM 639 SD MET A 41 -1.104 4.869 0.532 1.00 0.00 S ATOM 640 CE MET A 41 -0.449 5.705 -0.912 1.00 0.00 C ATOM 0 H MET A 41 0.899 4.207 3.886 1.00 0.00 H new ATOM 0 HA MET A 41 1.181 3.542 1.154 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.677 6.140 2.652 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.624 5.995 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.657 5.411 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.507 6.819 1.791 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.046 5.444 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.486 6.783 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.584 5.397 -1.073 1.00 0.00 H new ATOM 650 N GLU A 42 3.920 4.486 2.760 1.00 0.00 N ATOM 651 CA GLU A 42 5.382 4.512 2.707 1.00 0.00 C ATOM 652 C GLU A 42 5.958 3.129 2.429 1.00 0.00 C ATOM 653 O GLU A 42 6.861 2.980 1.602 1.00 0.00 O ATOM 654 CB GLU A 42 5.961 5.042 4.027 1.00 0.00 C ATOM 655 CG GLU A 42 5.780 6.536 4.244 1.00 0.00 C ATOM 656 CD GLU A 42 4.405 6.899 4.759 1.00 0.00 C ATOM 657 OE1 GLU A 42 3.495 7.116 3.935 1.00 0.00 O ATOM 658 OE2 GLU A 42 4.235 6.979 5.993 1.00 0.00 O ATOM 0 H GLU A 42 3.528 4.857 3.625 1.00 0.00 H new ATOM 0 HA GLU A 42 5.662 5.177 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.492 4.509 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.025 4.810 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.531 6.888 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.959 7.058 3.304 1.00 0.00 H new ATOM 665 N VAL A 43 5.438 2.122 3.112 1.00 0.00 N ATOM 666 CA VAL A 43 5.913 0.764 2.914 1.00 0.00 C ATOM 667 C VAL A 43 5.568 0.281 1.509 1.00 0.00 C ATOM 668 O VAL A 43 6.451 -0.133 0.763 1.00 0.00 O ATOM 669 CB VAL A 43 5.329 -0.214 3.956 1.00 0.00 C ATOM 670 CG1 VAL A 43 5.893 -1.613 3.751 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.620 0.273 5.367 1.00 0.00 C ATOM 0 H VAL A 43 4.693 2.218 3.802 1.00 0.00 H new ATOM 0 HA VAL A 43 6.995 0.782 3.042 1.00 0.00 H new ATOM 0 HB VAL A 43 4.248 -0.254 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.470 -2.288 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.636 -1.966 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.977 -1.588 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.201 -0.429 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.698 0.343 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.170 1.255 5.513 1.00 0.00 H new ATOM 681 N ALA A 44 4.290 0.381 1.141 1.00 0.00 N ATOM 682 CA ALA A 44 3.823 -0.080 -0.166 1.00 0.00 C ATOM 683 C ALA A 44 4.603 0.581 -1.299 1.00 0.00 C ATOM 684 O ALA A 44 4.931 -0.066 -2.297 1.00 0.00 O ATOM 685 CB ALA A 44 2.334 0.192 -0.328 1.00 0.00 C ATOM 0 H ALA A 44 3.559 0.778 1.731 1.00 0.00 H new ATOM 0 HA ALA A 44 3.994 -1.155 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.005 -0.158 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.781 -0.334 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.149 1.263 -0.244 1.00 0.00 H new ATOM 691 N GLU A 45 4.897 1.865 -1.131 1.00 0.00 N ATOM 692 CA GLU A 45 5.677 2.620 -2.094 1.00 0.00 C ATOM 693 C GLU A 45 7.053 1.993 -2.303 1.00 0.00 C ATOM 694 O GLU A 45 7.413 1.618 -3.417 1.00 0.00 O ATOM 695 CB GLU A 45 5.819 4.065 -1.602 1.00 0.00 C ATOM 696 CG GLU A 45 4.548 4.896 -1.727 1.00 0.00 C ATOM 697 CD GLU A 45 4.724 6.318 -1.222 1.00 0.00 C ATOM 698 OE1 GLU A 45 4.769 6.520 0.007 1.00 0.00 O ATOM 699 OE2 GLU A 45 4.821 7.244 -2.056 1.00 0.00 O ATOM 0 H GLU A 45 4.599 2.409 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 45 5.160 2.607 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.130 4.052 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.615 4.552 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.237 4.922 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.747 4.413 -1.168 1.00 0.00 H new ATOM 706 N LYS A 46 7.809 1.851 -1.227 1.00 0.00 N ATOM 707 CA LYS A 46 9.177 1.360 -1.328 1.00 0.00 C ATOM 708 C LYS A 46 9.223 -0.138 -1.609 1.00 0.00 C ATOM 709 O LYS A 46 10.162 -0.614 -2.243 1.00 0.00 O ATOM 710 CB LYS A 46 9.963 1.702 -0.059 1.00 0.00 C ATOM 711 CG LYS A 46 10.836 2.945 -0.202 1.00 0.00 C ATOM 712 CD LYS A 46 10.039 4.165 -0.646 1.00 0.00 C ATOM 713 CE LYS A 46 9.103 4.667 0.445 1.00 0.00 C ATOM 714 NZ LYS A 46 9.846 5.245 1.595 1.00 0.00 N ATOM 0 H LYS A 46 7.503 2.067 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 46 9.646 1.861 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.263 1.851 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.593 0.854 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.320 3.158 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.628 2.749 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.726 4.963 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.458 3.915 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.434 5.421 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.479 3.844 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.182 5.739 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.319 4.483 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.558 5.918 1.246 1.00 0.00 H new ATOM 728 N THR A 47 8.216 -0.877 -1.153 1.00 0.00 N ATOM 729 CA THR A 47 8.143 -2.310 -1.417 1.00 0.00 C ATOM 730 C THR A 47 7.941 -2.583 -2.908 1.00 0.00 C ATOM 731 O THR A 47 8.695 -3.352 -3.510 1.00 0.00 O ATOM 732 CB THR A 47 7.011 -2.982 -0.608 1.00 0.00 C ATOM 733 OG1 THR A 47 7.231 -2.773 0.793 1.00 0.00 O ATOM 734 CG2 THR A 47 6.942 -4.478 -0.890 1.00 0.00 C ATOM 0 H THR A 47 7.442 -0.509 -0.601 1.00 0.00 H new ATOM 0 HA THR A 47 9.093 -2.740 -1.101 1.00 0.00 H new ATOM 0 HB THR A 47 6.066 -2.531 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.023 -1.843 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.136 -4.922 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.753 -4.640 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.888 -4.944 -0.615 1.00 0.00 H new ATOM 742 N TYR A 48 6.941 -1.937 -3.511 1.00 0.00 N ATOM 743 CA TYR A 48 6.654 -2.149 -4.924 1.00 0.00 C ATOM 744 C TYR A 48 7.814 -1.668 -5.783 1.00 0.00 C ATOM 745 O TYR A 48 8.281 -2.392 -6.661 1.00 0.00 O ATOM 746 CB TYR A 48 5.365 -1.443 -5.353 1.00 0.00 C ATOM 747 CG TYR A 48 5.065 -1.607 -6.827 1.00 0.00 C ATOM 748 CD1 TYR A 48 4.548 -2.799 -7.321 1.00 0.00 C ATOM 749 CD2 TYR A 48 5.322 -0.581 -7.729 1.00 0.00 C ATOM 750 CE1 TYR A 48 4.289 -2.961 -8.667 1.00 0.00 C ATOM 751 CE2 TYR A 48 5.061 -0.734 -9.077 1.00 0.00 C ATOM 752 CZ TYR A 48 4.551 -1.927 -9.541 1.00 0.00 C ATOM 753 OH TYR A 48 4.303 -2.089 -10.883 1.00 0.00 O ATOM 0 H TYR A 48 6.325 -1.271 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 48 6.518 -3.221 -5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.531 -1.836 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.444 -0.381 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.345 -3.612 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.733 0.351 -7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.883 -3.892 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.256 0.077 -9.763 1.00 0.00 H new ATOM 0 HH TYR A 48 4.540 -1.267 -11.361 1.00 0.00 H new ATOM 763 N GLU A 49 8.280 -0.453 -5.517 1.00 0.00 N ATOM 764 CA GLU A 49 9.389 0.125 -6.264 1.00 0.00 C ATOM 765 C GLU A 49 10.651 -0.735 -6.142 1.00 0.00 C ATOM 766 O GLU A 49 11.453 -0.810 -7.073 1.00 0.00 O ATOM 767 CB GLU A 49 9.654 1.543 -5.760 1.00 0.00 C ATOM 768 CG GLU A 49 8.577 2.552 -6.141 1.00 0.00 C ATOM 769 CD GLU A 49 8.530 2.827 -7.629 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.515 3.380 -8.164 1.00 0.00 O ATOM 771 OE2 GLU A 49 7.510 2.509 -8.271 1.00 0.00 O ATOM 0 H GLU A 49 7.905 0.152 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 49 9.119 0.160 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.746 1.519 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.611 1.884 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.606 2.181 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.757 3.486 -5.609 1.00 0.00 H new ATOM 778 N ALA A 50 10.822 -1.391 -5.001 1.00 0.00 N ATOM 779 CA ALA A 50 11.953 -2.292 -4.812 1.00 0.00 C ATOM 780 C ALA A 50 11.790 -3.539 -5.668 1.00 0.00 C ATOM 781 O ALA A 50 12.711 -3.937 -6.376 1.00 0.00 O ATOM 782 CB ALA A 50 12.105 -2.675 -3.348 1.00 0.00 C ATOM 0 H ALA A 50 10.198 -1.318 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 50 12.857 -1.768 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.955 -3.347 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.270 -1.777 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.199 -3.175 -3.007 1.00 0.00 H new ATOM 788 N TYR A 51 10.604 -4.140 -5.618 1.00 0.00 N ATOM 789 CA TYR A 51 10.333 -5.359 -6.368 1.00 0.00 C ATOM 790 C TYR A 51 10.283 -5.110 -7.872 1.00 0.00 C ATOM 791 O TYR A 51 10.679 -5.968 -8.658 1.00 0.00 O ATOM 792 CB TYR A 51 9.029 -6.007 -5.904 1.00 0.00 C ATOM 793 CG TYR A 51 9.215 -6.974 -4.757 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.802 -8.215 -4.969 1.00 0.00 C ATOM 795 CD2 TYR A 51 8.812 -6.650 -3.467 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.979 -9.108 -3.930 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.985 -7.540 -2.423 1.00 0.00 C ATOM 798 CZ TYR A 51 9.573 -8.766 -2.659 1.00 0.00 C ATOM 799 OH TYR A 51 9.749 -9.656 -1.623 1.00 0.00 O ATOM 0 H TYR A 51 9.816 -3.801 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 51 11.161 -6.040 -6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.331 -5.226 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.575 -6.533 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.126 -8.486 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.357 -5.689 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.434 -10.070 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.661 -7.277 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 51 10.444 -9.321 -1.019 1.00 0.00 H new ATOM 809 N ARG A 52 9.805 -3.940 -8.272 1.00 0.00 N ATOM 810 CA ARG A 52 9.730 -3.604 -9.687 1.00 0.00 C ATOM 811 C ARG A 52 11.135 -3.474 -10.276 1.00 0.00 C ATOM 812 O ARG A 52 11.401 -3.966 -11.371 1.00 0.00 O ATOM 813 CB ARG A 52 8.915 -2.321 -9.907 1.00 0.00 C ATOM 814 CG ARG A 52 9.615 -1.046 -9.490 1.00 0.00 C ATOM 815 CD ARG A 52 8.766 0.174 -9.793 1.00 0.00 C ATOM 816 NE ARG A 52 8.428 0.279 -11.211 1.00 0.00 N ATOM 817 CZ ARG A 52 7.625 1.216 -11.712 1.00 0.00 C ATOM 818 NH1 ARG A 52 7.102 2.145 -10.912 1.00 0.00 N ATOM 819 NH2 ARG A 52 7.350 1.225 -13.010 1.00 0.00 N ATOM 0 H ARG A 52 9.466 -3.213 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 52 9.215 -4.412 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.656 -2.248 -10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.979 -2.403 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.836 -1.082 -8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.569 -0.966 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.849 0.130 -9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.301 1.072 -9.482 1.00 0.00 H new ATOM 0 HE ARG A 52 8.830 -0.404 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.317 2.139 -9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.487 2.862 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.753 0.515 -13.622 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.735 1.942 -13.396 1.00 0.00 H new ATOM 833 N GLN A 53 12.036 -2.844 -9.523 1.00 0.00 N ATOM 834 CA GLN A 53 13.427 -2.701 -9.938 1.00 0.00 C ATOM 835 C GLN A 53 14.114 -4.059 -9.842 1.00 0.00 C ATOM 836 O GLN A 53 14.929 -4.415 -10.691 1.00 0.00 O ATOM 837 CB GLN A 53 14.130 -1.672 -9.038 1.00 0.00 C ATOM 838 CG GLN A 53 15.186 -0.816 -9.737 1.00 0.00 C ATOM 839 CD GLN A 53 16.371 -1.604 -10.258 1.00 0.00 C ATOM 840 OE1 GLN A 53 17.335 -1.855 -9.533 1.00 0.00 O ATOM 841 NE2 GLN A 53 16.337 -1.947 -11.536 1.00 0.00 N ATOM 0 H GLN A 53 11.824 -2.423 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 53 13.478 -2.349 -10.968 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.376 -1.013 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.602 -2.199 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.719 -0.289 -10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.544 -0.058 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.520 -1.721 -12.103 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.128 -2.437 -11.954 1.00 0.00 H new ATOM 850 N LEU A 54 13.754 -4.819 -8.810 1.00 0.00 N ATOM 851 CA LEU A 54 14.273 -6.168 -8.625 1.00 0.00 C ATOM 852 C LEU A 54 13.956 -7.020 -9.847 1.00 0.00 C ATOM 853 O LEU A 54 14.845 -7.634 -10.418 1.00 0.00 O ATOM 854 CB LEU A 54 13.668 -6.799 -7.358 1.00 0.00 C ATOM 855 CG LEU A 54 14.326 -8.094 -6.847 1.00 0.00 C ATOM 856 CD1 LEU A 54 13.834 -8.409 -5.446 1.00 0.00 C ATOM 857 CD2 LEU A 54 14.037 -9.278 -7.759 1.00 0.00 C ATOM 0 H LEU A 54 13.101 -4.519 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 54 15.355 -6.119 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.707 -6.059 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.615 -7.006 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 54 15.403 -7.929 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.305 -9.327 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.092 -7.588 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.752 -8.539 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.520 -10.170 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.961 -9.442 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.423 -9.071 -8.757 1.00 0.00 H new ATOM 869 N ASP A 55 12.689 -7.034 -10.251 1.00 0.00 N ATOM 870 CA ASP A 55 12.248 -7.855 -11.377 1.00 0.00 C ATOM 871 C ASP A 55 12.861 -7.354 -12.681 1.00 0.00 C ATOM 872 O ASP A 55 13.201 -8.142 -13.562 1.00 0.00 O ATOM 873 CB ASP A 55 10.719 -7.867 -11.474 1.00 0.00 C ATOM 874 CG ASP A 55 10.214 -8.839 -12.523 1.00 0.00 C ATOM 875 OD1 ASP A 55 10.156 -10.056 -12.239 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.859 -8.393 -13.635 1.00 0.00 O ATOM 0 H ASP A 55 11.948 -6.485 -9.815 1.00 0.00 H new ATOM 0 HA ASP A 55 12.589 -8.876 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.298 -8.132 -10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.365 -6.864 -11.712 1.00 0.00 H new ATOM 881 N GLU A 56 13.017 -6.044 -12.789 1.00 0.00 N ATOM 882 CA GLU A 56 13.681 -5.446 -13.940 1.00 0.00 C ATOM 883 C GLU A 56 15.139 -5.881 -14.008 1.00 0.00 C ATOM 884 O GLU A 56 15.621 -6.314 -15.057 1.00 0.00 O ATOM 885 CB GLU A 56 13.585 -3.924 -13.869 1.00 0.00 C ATOM 886 CG GLU A 56 12.243 -3.382 -14.323 1.00 0.00 C ATOM 887 CD GLU A 56 12.190 -1.872 -14.300 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.863 -1.234 -15.135 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.481 -1.307 -13.442 1.00 0.00 O ATOM 0 H GLU A 56 12.693 -5.372 -12.093 1.00 0.00 H new ATOM 0 HA GLU A 56 13.180 -5.790 -14.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.770 -3.603 -12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.371 -3.489 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.036 -3.734 -15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.458 -3.780 -13.680 1.00 0.00 H new ATOM 896 N PHE A 57 15.831 -5.780 -12.885 1.00 0.00 N ATOM 897 CA PHE A 57 17.218 -6.210 -12.804 1.00 0.00 C ATOM 898 C PHE A 57 17.291 -7.722 -13.003 1.00 0.00 C ATOM 899 O PHE A 57 18.214 -8.239 -13.627 1.00 0.00 O ATOM 900 CB PHE A 57 17.802 -5.820 -11.446 1.00 0.00 C ATOM 901 CG PHE A 57 19.254 -5.453 -11.497 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.233 -6.419 -11.358 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.635 -4.136 -11.690 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.569 -6.077 -11.401 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.968 -3.786 -11.734 1.00 0.00 C ATOM 906 CZ PHE A 57 21.938 -4.759 -11.595 1.00 0.00 C ATOM 0 H PHE A 57 15.454 -5.403 -12.015 1.00 0.00 H new ATOM 0 HA PHE A 57 17.801 -5.721 -13.585 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.237 -4.978 -11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.670 -6.650 -10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.949 -7.451 -11.214 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.879 -3.374 -11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.326 -6.838 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.253 -2.754 -11.877 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.983 -4.491 -11.638 1.00 0.00 H new ATOM 916 N ARG A 58 16.283 -8.403 -12.476 1.00 0.00 N ATOM 917 CA ARG A 58 16.125 -9.848 -12.608 1.00 0.00 C ATOM 918 C ARG A 58 16.101 -10.269 -14.072 1.00 0.00 C ATOM 919 O ARG A 58 16.852 -11.149 -14.479 1.00 0.00 O ATOM 920 CB ARG A 58 14.822 -10.258 -11.915 1.00 0.00 C ATOM 921 CG ARG A 58 14.382 -11.691 -12.147 1.00 0.00 C ATOM 922 CD ARG A 58 12.946 -11.881 -11.680 1.00 0.00 C ATOM 923 NE ARG A 58 12.500 -13.270 -11.771 1.00 0.00 N ATOM 924 CZ ARG A 58 11.231 -13.655 -11.612 1.00 0.00 C ATOM 925 NH1 ARG A 58 10.261 -12.747 -11.513 1.00 0.00 N ATOM 926 NH2 ARG A 58 10.928 -14.949 -11.589 1.00 0.00 N ATOM 0 H ARG A 58 15.539 -7.961 -11.936 1.00 0.00 H new ATOM 0 HA ARG A 58 16.974 -10.347 -12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.936 -10.100 -10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.027 -9.593 -12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.464 -11.937 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.040 -12.373 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.857 -11.542 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.288 -11.253 -12.280 1.00 0.00 H new ATOM 0 HE ARG A 58 13.198 -13.987 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.486 -11.753 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.293 -13.046 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.664 -15.647 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.959 -15.244 -11.468 1.00 0.00 H new ATOM 940 N LYS A 59 15.251 -9.626 -14.863 1.00 0.00 N ATOM 941 CA LYS A 59 15.123 -9.968 -16.279 1.00 0.00 C ATOM 942 C LYS A 59 16.373 -9.566 -17.049 1.00 0.00 C ATOM 943 O LYS A 59 16.758 -10.222 -18.020 1.00 0.00 O ATOM 944 CB LYS A 59 13.885 -9.300 -16.887 1.00 0.00 C ATOM 945 CG LYS A 59 12.608 -10.128 -16.768 1.00 0.00 C ATOM 946 CD LYS A 59 12.335 -10.564 -15.338 1.00 0.00 C ATOM 947 CE LYS A 59 11.001 -11.280 -15.213 1.00 0.00 C ATOM 948 NZ LYS A 59 9.856 -10.364 -15.447 1.00 0.00 N ATOM 0 H LYS A 59 14.642 -8.869 -14.553 1.00 0.00 H new ATOM 0 HA LYS A 59 15.006 -11.049 -16.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.728 -8.338 -16.399 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.076 -9.096 -17.941 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.764 -9.545 -17.135 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.688 -11.009 -17.405 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.135 -11.223 -15.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.342 -9.692 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.961 -12.101 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.917 -11.720 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.979 -10.811 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.012 -9.475 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.774 -10.164 -16.464 1.00 0.00 H new ATOM 962 N SER A 60 17.008 -8.494 -16.609 1.00 0.00 N ATOM 963 CA SER A 60 18.243 -8.038 -17.227 1.00 0.00 C ATOM 964 C SER A 60 19.383 -9.023 -16.958 1.00 0.00 C ATOM 965 O SER A 60 20.083 -9.447 -17.879 1.00 0.00 O ATOM 966 CB SER A 60 18.597 -6.641 -16.714 1.00 0.00 C ATOM 967 OG SER A 60 17.506 -5.748 -16.886 1.00 0.00 O ATOM 0 H SER A 60 16.690 -7.922 -15.826 1.00 0.00 H new ATOM 0 HA SER A 60 18.096 -7.987 -18.306 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.867 -6.694 -15.659 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.469 -6.263 -17.247 1.00 0.00 H new ATOM 0 HG SER A 60 16.812 -5.948 -16.224 1.00 0.00 H new ATOM 973 N THR A 61 19.540 -9.419 -15.702 1.00 0.00 N ATOM 974 CA THR A 61 20.618 -10.325 -15.318 1.00 0.00 C ATOM 975 C THR A 61 20.327 -11.755 -15.784 1.00 0.00 C ATOM 976 O THR A 61 21.247 -12.515 -16.078 1.00 0.00 O ATOM 977 CB THR A 61 20.875 -10.305 -13.786 1.00 0.00 C ATOM 978 OG1 THR A 61 22.114 -10.965 -13.482 1.00 0.00 O ATOM 979 CG2 THR A 61 19.748 -10.977 -13.020 1.00 0.00 C ATOM 0 H THR A 61 18.937 -9.129 -14.932 1.00 0.00 H new ATOM 0 HA THR A 61 21.521 -9.970 -15.814 1.00 0.00 H new ATOM 0 HB THR A 61 20.926 -9.261 -13.477 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.266 -10.945 -12.514 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.963 -10.943 -11.952 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.812 -10.455 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.659 -12.015 -13.340 1.00 0.00 H new ATOM 1204 N ALA B 5 -27.389 15.250 9.494 1.00 0.00 N ATOM 1205 CA ALA B 5 -26.950 13.938 9.966 1.00 0.00 C ATOM 1206 C ALA B 5 -27.247 12.822 8.967 1.00 0.00 C ATOM 1207 O ALA B 5 -26.521 11.838 8.914 1.00 0.00 O ATOM 1208 CB ALA B 5 -27.596 13.622 11.305 1.00 0.00 C ATOM 0 HA ALA B 5 -25.867 13.987 10.079 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -27.262 12.643 11.648 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -27.309 14.379 12.035 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -28.680 13.618 11.194 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.305 12.977 8.179 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.679 11.959 7.196 1.00 0.00 C ATOM 1216 C GLU B 6 -27.572 11.759 6.167 1.00 0.00 C ATOM 1217 O GLU B 6 -27.145 10.633 5.904 1.00 0.00 O ATOM 1218 CB GLU B 6 -29.974 12.349 6.488 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.140 12.540 7.436 1.00 0.00 C ATOM 1220 CD GLU B 6 -32.449 12.751 6.710 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -32.784 13.912 6.406 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -33.149 11.755 6.430 1.00 0.00 O ATOM 0 H GLU B 6 -28.918 13.792 8.199 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.831 11.021 7.730 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -29.812 13.272 5.931 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.229 11.578 5.760 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -31.224 11.667 8.083 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -30.943 13.397 8.080 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.119 12.865 5.599 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.031 12.859 4.620 1.00 0.00 C ATOM 1231 C GLU B 7 -24.751 12.358 5.270 1.00 0.00 C ATOM 1232 O GLU B 7 -23.987 11.597 4.676 1.00 0.00 O ATOM 1233 CB GLU B 7 -25.821 14.277 4.080 1.00 0.00 C ATOM 1234 CG GLU B 7 -24.928 14.354 2.853 1.00 0.00 C ATOM 1235 CD GLU B 7 -25.578 13.762 1.620 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -26.494 14.401 1.058 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -25.176 12.660 1.198 1.00 0.00 O ATOM 0 H GLU B 7 -27.491 13.793 5.800 1.00 0.00 H new ATOM 0 HA GLU B 7 -26.292 12.194 3.796 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -26.792 14.707 3.836 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -25.389 14.893 4.869 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -24.672 15.396 2.659 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -23.994 13.829 3.054 1.00 0.00 H new ATOM 1244 N LEU B 8 -24.547 12.778 6.506 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.382 12.385 7.270 1.00 0.00 C ATOM 1246 C LEU B 8 -23.378 10.874 7.503 1.00 0.00 C ATOM 1247 O LEU B 8 -22.406 10.191 7.199 1.00 0.00 O ATOM 1248 CB LEU B 8 -23.370 13.144 8.604 1.00 0.00 C ATOM 1249 CG LEU B 8 -22.654 14.507 8.602 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -21.176 14.343 8.291 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -23.291 15.463 7.606 1.00 0.00 C ATOM 0 H LEU B 8 -25.184 13.399 7.005 1.00 0.00 H new ATOM 0 HA LEU B 8 -22.481 12.637 6.710 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -24.402 13.299 8.920 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -22.899 12.510 9.355 1.00 0.00 H new ATOM 0 HG LEU B 8 -22.757 14.931 9.601 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -20.693 15.320 8.295 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -20.714 13.706 9.045 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -21.060 13.885 7.309 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -22.763 16.416 7.628 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -23.231 15.038 6.604 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -24.337 15.621 7.871 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.490 10.358 8.007 1.00 0.00 N ATOM 1264 CA LYS B 9 -24.628 8.948 8.313 1.00 0.00 C ATOM 1265 C LYS B 9 -24.519 8.087 7.061 1.00 0.00 C ATOM 1266 O LYS B 9 -23.882 7.033 7.079 1.00 0.00 O ATOM 1267 CB LYS B 9 -25.977 8.738 8.981 1.00 0.00 C ATOM 1268 CG LYS B 9 -26.134 7.407 9.674 1.00 0.00 C ATOM 1269 CD LYS B 9 -27.400 7.397 10.506 1.00 0.00 C ATOM 1270 CE LYS B 9 -28.645 7.577 9.649 1.00 0.00 C ATOM 1271 NZ LYS B 9 -29.872 7.733 10.475 1.00 0.00 N ATOM 0 H LYS B 9 -25.322 10.910 8.214 1.00 0.00 H new ATOM 0 HA LYS B 9 -23.820 8.646 8.979 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -26.135 9.533 9.710 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -26.760 8.836 8.229 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -26.169 6.606 8.936 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -25.270 7.216 10.311 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -27.468 6.456 11.052 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -27.352 8.193 11.249 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -28.523 8.453 9.012 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -28.759 6.717 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -30.697 7.853 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -30.003 6.886 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -29.775 8.569 11.086 1.00 0.00 H new ATOM 1285 N ALA B 10 -25.138 8.537 5.982 1.00 0.00 N ATOM 1286 CA ALA B 10 -25.085 7.811 4.722 1.00 0.00 C ATOM 1287 C ALA B 10 -23.649 7.699 4.221 1.00 0.00 C ATOM 1288 O ALA B 10 -23.215 6.633 3.778 1.00 0.00 O ATOM 1289 CB ALA B 10 -25.955 8.493 3.681 1.00 0.00 C ATOM 0 H ALA B 10 -25.682 9.399 5.952 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.467 6.805 4.893 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.905 7.938 2.744 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -26.987 8.521 4.031 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.599 9.510 3.519 1.00 0.00 H new ATOM 1295 N LYS B 11 -22.916 8.804 4.305 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.520 8.820 3.881 1.00 0.00 C ATOM 1297 C LYS B 11 -20.663 7.994 4.833 1.00 0.00 C ATOM 1298 O LYS B 11 -19.820 7.205 4.402 1.00 0.00 O ATOM 1299 CB LYS B 11 -20.996 10.257 3.818 1.00 0.00 C ATOM 1300 CG LYS B 11 -19.624 10.372 3.170 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.146 11.815 3.095 1.00 0.00 C ATOM 1302 CE LYS B 11 -17.769 11.910 2.455 1.00 0.00 C ATOM 1303 NZ LYS B 11 -17.293 13.314 2.358 1.00 0.00 N ATOM 0 H LYS B 11 -23.262 9.695 4.660 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.461 8.381 2.885 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -21.705 10.870 3.262 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -20.948 10.663 4.828 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -18.905 9.781 3.737 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -19.661 9.950 2.166 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -19.858 12.407 2.520 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -19.113 12.242 4.097 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -17.057 11.326 3.039 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -17.802 11.469 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -16.282 13.355 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.432 13.661 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -17.831 13.909 3.019 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.886 8.183 6.128 1.00 0.00 N ATOM 1318 CA LEU B 12 -20.175 7.430 7.159 1.00 0.00 C ATOM 1319 C LEU B 12 -20.324 5.933 6.937 1.00 0.00 C ATOM 1320 O LEU B 12 -19.347 5.192 6.999 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.698 7.795 8.551 1.00 0.00 C ATOM 1322 CG LEU B 12 -20.073 7.016 9.715 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -18.573 7.272 9.797 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -20.752 7.394 11.024 1.00 0.00 C ATOM 0 H LEU B 12 -21.559 8.857 6.493 1.00 0.00 H new ATOM 0 HA LEU B 12 -19.119 7.693 7.093 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -20.529 8.859 8.716 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.776 7.637 8.568 1.00 0.00 H new ATOM 0 HG LEU B 12 -20.224 5.951 9.537 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -18.153 6.709 10.630 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -18.098 6.955 8.868 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -18.393 8.336 9.951 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -20.300 6.835 11.843 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -20.629 8.462 11.203 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -21.814 7.156 10.965 1.00 0.00 H new ATOM 1336 N LYS B 13 -21.551 5.502 6.671 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.841 4.097 6.424 1.00 0.00 C ATOM 1338 C LYS B 13 -20.969 3.555 5.298 1.00 0.00 C ATOM 1339 O LYS B 13 -20.332 2.509 5.435 1.00 0.00 O ATOM 1340 CB LYS B 13 -23.314 3.918 6.056 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.735 2.462 5.907 1.00 0.00 C ATOM 1342 CD LYS B 13 -23.554 1.684 7.202 1.00 0.00 C ATOM 1343 CE LYS B 13 -23.849 0.203 7.012 1.00 0.00 C ATOM 1344 NZ LYS B 13 -25.226 -0.034 6.505 1.00 0.00 N ATOM 0 H LYS B 13 -22.367 6.112 6.621 1.00 0.00 H new ATOM 0 HA LYS B 13 -21.625 3.542 7.337 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.930 4.389 6.822 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.512 4.442 5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -24.779 2.416 5.599 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -23.148 1.993 5.117 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -22.533 1.809 7.562 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -24.214 2.092 7.967 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -23.128 -0.223 6.314 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -23.719 -0.317 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -25.437 -1.052 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -25.908 0.478 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -25.298 0.306 5.525 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.946 4.284 4.193 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.205 3.867 3.014 1.00 0.00 C ATOM 1360 C LYS B 14 -18.705 3.804 3.298 1.00 0.00 C ATOM 1361 O LYS B 14 -18.048 2.808 2.984 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.477 4.829 1.855 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.045 4.287 0.501 1.00 0.00 C ATOM 1364 CD LYS B 14 -20.693 2.941 0.209 1.00 0.00 C ATOM 1365 CE LYS B 14 -20.312 2.413 -1.165 1.00 0.00 C ATOM 1366 NZ LYS B 14 -18.844 2.242 -1.317 1.00 0.00 N ATOM 0 H LYS B 14 -21.435 5.173 4.089 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.542 2.867 2.740 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.543 5.055 1.824 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.958 5.768 2.044 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.313 4.999 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -18.960 4.183 0.478 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -20.393 2.221 0.970 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -21.777 3.039 0.272 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -20.806 1.456 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -20.677 3.099 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -18.644 1.726 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -18.388 3.176 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -18.472 1.705 -0.508 1.00 0.00 H new ATOM 1380 N LEU B 15 -18.175 4.860 3.905 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.746 4.940 4.193 1.00 0.00 C ATOM 1382 C LEU B 15 -16.331 3.929 5.254 1.00 0.00 C ATOM 1383 O LEU B 15 -15.256 3.335 5.166 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.359 6.355 4.634 1.00 0.00 C ATOM 1385 CG LEU B 15 -15.971 7.317 3.505 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -14.813 6.751 2.696 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -17.157 7.613 2.603 1.00 0.00 C ATOM 0 H LEU B 15 -18.712 5.673 4.207 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.215 4.700 3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -17.195 6.787 5.184 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.523 6.284 5.330 1.00 0.00 H new ATOM 0 HG LEU B 15 -15.653 8.256 3.959 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.551 7.447 1.899 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -13.951 6.604 3.347 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.106 5.795 2.261 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -16.851 8.298 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -17.518 6.685 2.160 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -17.955 8.069 3.189 1.00 0.00 H new ATOM 1399 N ASN B 16 -17.187 3.731 6.249 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.918 2.773 7.316 1.00 0.00 C ATOM 1401 C ASN B 16 -16.780 1.374 6.730 1.00 0.00 C ATOM 1402 O ASN B 16 -15.833 0.648 7.038 1.00 0.00 O ATOM 1403 CB ASN B 16 -18.045 2.798 8.355 1.00 0.00 C ATOM 1404 CG ASN B 16 -17.729 1.986 9.598 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -16.574 1.878 10.014 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -18.757 1.414 10.207 1.00 0.00 N ATOM 0 H ASN B 16 -18.076 4.222 6.340 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.986 3.049 7.809 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -18.242 3.831 8.643 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.958 2.414 7.900 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -18.607 0.861 11.051 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -19.699 1.526 9.832 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.715 1.020 5.853 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.704 -0.282 5.198 1.00 0.00 C ATOM 1415 C ALA B 17 -16.499 -0.416 4.273 1.00 0.00 C ATOM 1416 O ALA B 17 -15.870 -1.472 4.204 1.00 0.00 O ATOM 1417 CB ALA B 17 -18.997 -0.494 4.422 1.00 0.00 C ATOM 0 H ALA B 17 -18.493 1.620 5.579 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.627 -1.051 5.967 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -18.975 -1.470 3.938 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.844 -0.447 5.107 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.099 0.284 3.665 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.182 0.664 3.567 1.00 0.00 N ATOM 1424 CA GLN B 18 -15.044 0.683 2.654 1.00 0.00 C ATOM 1425 C GLN B 18 -13.738 0.437 3.407 1.00 0.00 C ATOM 1426 O GLN B 18 -12.961 -0.448 3.043 1.00 0.00 O ATOM 1427 CB GLN B 18 -14.984 2.023 1.914 1.00 0.00 C ATOM 1428 CG GLN B 18 -13.800 2.155 0.969 1.00 0.00 C ATOM 1429 CD GLN B 18 -13.778 3.491 0.254 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -13.210 4.460 0.750 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -14.384 3.551 -0.920 1.00 0.00 N ATOM 0 H GLN B 18 -16.700 1.542 3.610 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.175 -0.118 1.927 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -15.905 2.154 1.346 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -14.943 2.829 2.646 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -12.874 2.032 1.531 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -13.835 1.352 0.232 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -14.845 2.724 -1.299 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -14.390 4.424 -1.447 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.519 1.211 4.466 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.316 1.079 5.280 1.00 0.00 C ATOM 1442 C ALA B 19 -12.193 -0.331 5.849 1.00 0.00 C ATOM 1443 O ALA B 19 -11.098 -0.891 5.921 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.327 2.099 6.410 1.00 0.00 C ATOM 0 H ALA B 19 -14.161 1.938 4.781 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.454 1.267 4.640 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.423 1.988 7.009 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.364 3.105 5.992 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -13.202 1.935 7.040 1.00 0.00 H new ATOM 1450 N THR B 20 -13.330 -0.894 6.243 1.00 0.00 N ATOM 1451 CA THR B 20 -13.377 -2.239 6.801 1.00 0.00 C ATOM 1452 C THR B 20 -12.907 -3.281 5.781 1.00 0.00 C ATOM 1453 O THR B 20 -12.099 -4.162 6.099 1.00 0.00 O ATOM 1454 CB THR B 20 -14.810 -2.584 7.268 1.00 0.00 C ATOM 1455 OG1 THR B 20 -15.258 -1.622 8.232 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.878 -3.979 7.873 1.00 0.00 C ATOM 0 H THR B 20 -14.239 -0.434 6.185 1.00 0.00 H new ATOM 0 HA THR B 20 -12.703 -2.262 7.657 1.00 0.00 H new ATOM 0 HB THR B 20 -15.459 -2.558 6.393 1.00 0.00 H new ATOM 0 HG1 THR B 20 -15.732 -0.897 7.774 1.00 0.00 H new ATOM 0 HG21 THR B 20 -15.899 -4.188 8.191 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.571 -4.714 7.129 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.212 -4.035 8.734 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.404 -3.165 4.555 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.081 -4.120 3.499 1.00 0.00 C ATOM 1466 C ALA B 21 -11.615 -4.020 3.090 1.00 0.00 C ATOM 1467 O ALA B 21 -10.913 -5.029 3.026 1.00 0.00 O ATOM 1468 CB ALA B 21 -13.982 -3.903 2.294 1.00 0.00 C ATOM 0 H ALA B 21 -14.034 -2.417 4.266 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.252 -5.122 3.891 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -13.728 -4.623 1.516 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.023 -4.039 2.589 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -13.842 -2.892 1.912 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.161 -2.798 2.838 1.00 0.00 N ATOM 1475 CA LEU B 22 -9.794 -2.562 2.377 1.00 0.00 C ATOM 1476 C LEU B 22 -8.763 -3.007 3.411 1.00 0.00 C ATOM 1477 O LEU B 22 -7.712 -3.540 3.051 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.589 -1.081 2.034 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.934 -0.675 0.594 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -9.065 -1.432 -0.397 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.407 -0.904 0.290 1.00 0.00 C ATOM 0 H LEU B 22 -11.720 -1.951 2.945 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.647 -3.161 1.478 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -10.194 -0.483 2.715 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.547 -0.824 2.224 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.733 0.392 0.493 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.324 -1.131 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -8.016 -1.206 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.231 -2.503 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.617 -0.606 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.645 -1.960 0.418 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -12.016 -0.310 0.972 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.077 -2.806 4.691 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.162 -3.158 5.771 1.00 0.00 C ATOM 1495 C LYS B 23 -7.762 -4.629 5.699 1.00 0.00 C ATOM 1496 O LYS B 23 -6.576 -4.961 5.646 1.00 0.00 O ATOM 1497 CB LYS B 23 -8.798 -2.870 7.136 1.00 0.00 C ATOM 1498 CG LYS B 23 -7.849 -3.104 8.302 1.00 0.00 C ATOM 1499 CD LYS B 23 -8.528 -2.916 9.651 1.00 0.00 C ATOM 1500 CE LYS B 23 -9.555 -4.003 9.921 1.00 0.00 C ATOM 1501 NZ LYS B 23 -10.195 -3.844 11.254 1.00 0.00 N ATOM 0 H LYS B 23 -9.960 -2.401 5.003 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.268 -2.545 5.653 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.142 -1.836 7.158 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.678 -3.501 7.260 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.444 -4.114 8.240 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.006 -2.417 8.224 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -7.776 -2.922 10.440 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -9.014 -1.941 9.681 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -10.321 -3.979 9.146 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.074 -4.979 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.889 -4.605 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -9.468 -3.892 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.676 -2.923 11.300 1.00 0.00 H new ATOM 1515 N MET B 24 -8.753 -5.507 5.684 1.00 0.00 N ATOM 1516 CA MET B 24 -8.489 -6.939 5.701 1.00 0.00 C ATOM 1517 C MET B 24 -8.009 -7.445 4.350 1.00 0.00 C ATOM 1518 O MET B 24 -7.259 -8.419 4.283 1.00 0.00 O ATOM 1519 CB MET B 24 -9.719 -7.720 6.152 1.00 0.00 C ATOM 1520 CG MET B 24 -9.921 -7.688 7.656 1.00 0.00 C ATOM 1521 SD MET B 24 -11.261 -8.759 8.204 1.00 0.00 S ATOM 1522 CE MET B 24 -11.041 -8.679 9.979 1.00 0.00 C ATOM 0 H MET B 24 -9.741 -5.256 5.660 1.00 0.00 H new ATOM 0 HA MET B 24 -7.688 -7.104 6.422 1.00 0.00 H new ATOM 0 HB2 MET B 24 -10.603 -7.310 5.663 1.00 0.00 H new ATOM 0 HB3 MET B 24 -9.625 -8.756 5.825 1.00 0.00 H new ATOM 0 HG2 MET B 24 -8.997 -7.990 8.148 1.00 0.00 H new ATOM 0 HG3 MET B 24 -10.129 -6.665 7.968 1.00 0.00 H new ATOM 0 HE1 MET B 24 -11.798 -9.293 10.467 1.00 0.00 H new ATOM 0 HE2 MET B 24 -10.050 -9.049 10.240 1.00 0.00 H new ATOM 0 HE3 MET B 24 -11.142 -7.646 10.312 1.00 0.00 H new ATOM 1532 N ASP B 25 -8.424 -6.781 3.278 1.00 0.00 N ATOM 1533 CA ASP B 25 -8.006 -7.181 1.938 1.00 0.00 C ATOM 1534 C ASP B 25 -6.501 -6.995 1.784 1.00 0.00 C ATOM 1535 O ASP B 25 -5.821 -7.836 1.195 1.00 0.00 O ATOM 1536 CB ASP B 25 -8.744 -6.380 0.864 1.00 0.00 C ATOM 1537 CG ASP B 25 -8.584 -6.990 -0.516 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -9.361 -7.914 -0.854 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -7.692 -6.557 -1.272 1.00 0.00 O ATOM 0 H ASP B 25 -9.043 -5.971 3.308 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.256 -8.234 1.806 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -9.803 -6.328 1.116 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -8.368 -5.357 0.853 1.00 0.00 H new ATOM 1544 N LEU B 26 -5.991 -5.898 2.339 1.00 0.00 N ATOM 1545 CA LEU B 26 -4.556 -5.615 2.331 1.00 0.00 C ATOM 1546 C LEU B 26 -3.796 -6.681 3.119 1.00 0.00 C ATOM 1547 O LEU B 26 -2.709 -7.104 2.725 1.00 0.00 O ATOM 1548 CB LEU B 26 -4.288 -4.231 2.927 1.00 0.00 C ATOM 1549 CG LEU B 26 -2.822 -3.795 2.941 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.292 -3.647 1.522 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -2.663 -2.494 3.711 1.00 0.00 C ATOM 0 H LEU B 26 -6.554 -5.185 2.803 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.206 -5.630 1.299 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -4.863 -3.495 2.365 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.664 -4.216 3.950 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.238 -4.566 3.443 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.248 -3.336 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.371 -4.602 1.003 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.878 -2.896 0.991 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.614 -2.197 3.712 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.260 -1.715 3.237 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.001 -2.635 4.738 1.00 0.00 H new ATOM 1563 N HIS B 27 -4.382 -7.113 4.230 1.00 0.00 N ATOM 1564 CA HIS B 27 -3.803 -8.178 5.047 1.00 0.00 C ATOM 1565 C HIS B 27 -3.600 -9.445 4.217 1.00 0.00 C ATOM 1566 O HIS B 27 -2.511 -10.018 4.191 1.00 0.00 O ATOM 1567 CB HIS B 27 -4.712 -8.482 6.244 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.392 -9.773 6.950 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -5.094 -10.945 6.733 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.439 -10.075 7.866 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -4.592 -11.902 7.493 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.589 -11.402 8.186 1.00 0.00 N ATOM 0 H HIS B 27 -5.262 -6.741 4.588 1.00 0.00 H new ATOM 0 HA HIS B 27 -2.833 -7.839 5.411 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -4.639 -7.662 6.959 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.746 -8.515 5.901 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -5.876 -11.053 6.088 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -2.700 -9.398 8.269 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.944 -12.922 7.539 1.00 0.00 H new ATOM 1581 N ASP B 28 -4.660 -9.871 3.546 1.00 0.00 N ATOM 1582 CA ASP B 28 -4.631 -11.091 2.749 1.00 0.00 C ATOM 1583 C ASP B 28 -3.785 -10.903 1.498 1.00 0.00 C ATOM 1584 O ASP B 28 -3.235 -11.864 0.960 1.00 0.00 O ATOM 1585 CB ASP B 28 -6.052 -11.534 2.392 1.00 0.00 C ATOM 1586 CG ASP B 28 -6.786 -12.105 3.592 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -6.826 -11.438 4.650 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -7.313 -13.232 3.492 1.00 0.00 O ATOM 0 H ASP B 28 -5.558 -9.387 3.537 1.00 0.00 H new ATOM 0 HA ASP B 28 -4.171 -11.879 3.346 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -6.609 -10.684 1.997 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.011 -12.283 1.602 1.00 0.00 H new ATOM 1593 N LEU B 29 -3.679 -9.660 1.042 1.00 0.00 N ATOM 1594 CA LEU B 29 -2.802 -9.323 -0.069 1.00 0.00 C ATOM 1595 C LEU B 29 -1.347 -9.551 0.324 1.00 0.00 C ATOM 1596 O LEU B 29 -0.545 -10.026 -0.477 1.00 0.00 O ATOM 1597 CB LEU B 29 -3.008 -7.865 -0.493 1.00 0.00 C ATOM 1598 CG LEU B 29 -2.155 -7.405 -1.676 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -2.515 -8.187 -2.932 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -2.320 -5.908 -1.899 1.00 0.00 C ATOM 0 H LEU B 29 -4.192 -8.867 1.428 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.048 -9.969 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.059 -7.722 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.795 -7.221 0.360 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.108 -7.601 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.898 -7.845 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.339 -9.249 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.566 -8.027 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.707 -5.596 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.366 -5.684 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.006 -5.370 -1.005 1.00 0.00 H new ATOM 1612 N ALA B 30 -1.014 -9.222 1.569 1.00 0.00 N ATOM 1613 CA ALA B 30 0.330 -9.449 2.085 1.00 0.00 C ATOM 1614 C ALA B 30 0.614 -10.943 2.205 1.00 0.00 C ATOM 1615 O ALA B 30 1.763 -11.379 2.151 1.00 0.00 O ATOM 1616 CB ALA B 30 0.514 -8.771 3.432 1.00 0.00 C ATOM 0 H ALA B 30 -1.657 -8.798 2.238 1.00 0.00 H new ATOM 0 HA ALA B 30 1.039 -9.014 1.380 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.525 -8.955 3.797 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.357 -7.698 3.324 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -0.207 -9.173 4.143 1.00 0.00 H new ATOM 1622 N GLU B 31 -0.444 -11.719 2.378 1.00 0.00 N ATOM 1623 CA GLU B 31 -0.352 -13.169 2.414 1.00 0.00 C ATOM 1624 C GLU B 31 -0.127 -13.732 1.009 1.00 0.00 C ATOM 1625 O GLU B 31 0.369 -14.851 0.843 1.00 0.00 O ATOM 1626 CB GLU B 31 -1.636 -13.737 3.013 1.00 0.00 C ATOM 1627 CG GLU B 31 -1.752 -13.556 4.518 1.00 0.00 C ATOM 1628 CD GLU B 31 -0.805 -14.454 5.290 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -0.856 -15.685 5.088 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -0.023 -13.941 6.116 1.00 0.00 O ATOM 0 H GLU B 31 -1.391 -11.361 2.497 1.00 0.00 H new ATOM 0 HA GLU B 31 0.498 -13.458 3.032 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.490 -13.259 2.533 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.693 -14.800 2.780 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.548 -12.516 4.772 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.776 -13.764 4.827 1.00 0.00 H new ATOM 1637 N ASP B 32 -0.499 -12.950 0.004 1.00 0.00 N ATOM 1638 CA ASP B 32 -0.384 -13.370 -1.390 1.00 0.00 C ATOM 1639 C ASP B 32 0.647 -12.510 -2.116 1.00 0.00 C ATOM 1640 O ASP B 32 0.609 -12.346 -3.339 1.00 0.00 O ATOM 1641 CB ASP B 32 -1.744 -13.274 -2.080 1.00 0.00 C ATOM 1642 CG ASP B 32 -1.835 -14.201 -3.274 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -1.790 -15.433 -3.066 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -1.945 -13.707 -4.415 1.00 0.00 O ATOM 0 H ASP B 32 -0.886 -12.014 0.128 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.051 -14.407 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -2.531 -13.520 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -1.916 -12.247 -2.403 1.00 0.00 H new ATOM 1649 N LEU B 33 1.566 -11.957 -1.336 1.00 0.00 N ATOM 1650 CA LEU B 33 2.631 -11.101 -1.846 1.00 0.00 C ATOM 1651 C LEU B 33 3.440 -11.771 -2.968 1.00 0.00 C ATOM 1652 O LEU B 33 3.372 -12.992 -3.140 1.00 0.00 O ATOM 1653 CB LEU B 33 3.505 -10.622 -0.688 1.00 0.00 C ATOM 1654 CG LEU B 33 3.007 -9.325 -0.047 1.00 0.00 C ATOM 1655 CD1 LEU B 33 3.907 -8.895 1.098 1.00 0.00 C ATOM 1656 CD2 LEU B 33 2.918 -8.231 -1.101 1.00 0.00 C ATOM 0 H LEU B 33 1.595 -12.090 -0.325 1.00 0.00 H new ATOM 0 HA LEU B 33 2.177 -10.226 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.547 -11.402 0.073 1.00 0.00 H new ATOM 0 HB3 LEU B 33 4.523 -10.473 -1.048 1.00 0.00 H new ATOM 0 HG LEU B 33 2.014 -9.503 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 33 3.527 -7.971 1.532 1.00 0.00 H new ATOM 0 HD12 LEU B 33 3.924 -9.674 1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 33 4.918 -8.731 0.724 1.00 0.00 H new ATOM 0 HD21 LEU B 33 2.563 -7.309 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU B 33 3.904 -8.063 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.224 -8.536 -1.884 1.00 0.00 H new ATOM 1668 N PRO B 34 4.304 -10.991 -3.673 1.00 0.00 N ATOM 1669 CA PRO B 34 4.714 -11.156 -5.061 1.00 0.00 C ATOM 1670 C PRO B 34 3.937 -12.136 -5.964 1.00 0.00 C ATOM 1671 O PRO B 34 4.441 -12.544 -7.011 1.00 0.00 O ATOM 1672 CB PRO B 34 6.172 -11.499 -4.835 1.00 0.00 C ATOM 1673 CG PRO B 34 6.554 -10.539 -3.725 1.00 0.00 C ATOM 1674 CD PRO B 34 5.244 -10.021 -3.128 1.00 0.00 C ATOM 0 HA PRO B 34 4.505 -10.276 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO B 34 6.305 -12.539 -4.538 1.00 0.00 H new ATOM 0 HB3 PRO B 34 6.771 -11.344 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO B 34 7.154 -11.042 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO B 34 7.155 -9.717 -4.113 1.00 0.00 H new ATOM 0 HD2 PRO B 34 5.256 -10.022 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO B 34 5.019 -9.002 -3.443 1.00 0.00 H new ATOM 1682 N THR B 35 2.720 -12.493 -5.583 1.00 0.00 N ATOM 1683 CA THR B 35 1.800 -13.143 -6.499 1.00 0.00 C ATOM 1684 C THR B 35 0.817 -12.101 -7.022 1.00 0.00 C ATOM 1685 O THR B 35 0.668 -11.909 -8.230 1.00 0.00 O ATOM 1686 CB THR B 35 1.036 -14.297 -5.822 1.00 0.00 C ATOM 1687 OG1 THR B 35 1.960 -15.157 -5.140 1.00 0.00 O ATOM 1688 CG2 THR B 35 0.251 -15.101 -6.848 1.00 0.00 C ATOM 0 H THR B 35 2.348 -12.343 -4.645 1.00 0.00 H new ATOM 0 HA THR B 35 2.372 -13.574 -7.320 1.00 0.00 H new ATOM 0 HB THR B 35 0.335 -13.871 -5.104 1.00 0.00 H new ATOM 0 HG1 THR B 35 1.470 -15.888 -4.710 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.280 -15.910 -6.347 1.00 0.00 H new ATOM 0 HG22 THR B 35 -0.467 -14.451 -7.348 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.937 -15.519 -7.585 1.00 0.00 H new ATOM 1696 N GLY B 36 0.176 -11.405 -6.090 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.688 -10.292 -6.436 1.00 0.00 C ATOM 1698 C GLY B 36 -0.049 -8.960 -6.080 1.00 0.00 C ATOM 1699 O GLY B 36 -0.727 -8.029 -5.647 1.00 0.00 O ATOM 0 H GLY B 36 0.241 -11.595 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -0.907 -10.318 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.639 -10.392 -5.913 1.00 0.00 H new ATOM 1703 N TRP B 37 1.266 -8.872 -6.270 1.00 0.00 N ATOM 1704 CA TRP B 37 2.033 -7.680 -5.910 1.00 0.00 C ATOM 1705 C TRP B 37 1.683 -6.491 -6.804 1.00 0.00 C ATOM 1706 O TRP B 37 2.108 -5.364 -6.553 1.00 0.00 O ATOM 1707 CB TRP B 37 3.539 -7.976 -5.972 1.00 0.00 C ATOM 1708 CG TRP B 37 4.069 -8.218 -7.354 1.00 0.00 C ATOM 1709 CD1 TRP B 37 3.761 -9.253 -8.188 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.027 -7.417 -8.051 1.00 0.00 C ATOM 1711 NE1 TRP B 37 4.458 -9.134 -9.366 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.244 -8.016 -9.304 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.717 -6.247 -7.738 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.126 -7.484 -10.241 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.592 -5.720 -8.667 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.789 -6.338 -9.906 1.00 0.00 C ATOM 0 H TRP B 37 1.828 -9.620 -6.676 1.00 0.00 H new ATOM 0 HA TRP B 37 1.767 -7.411 -4.888 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.079 -7.139 -5.531 1.00 0.00 H new ATOM 0 HB3 TRP B 37 3.750 -8.851 -5.357 1.00 0.00 H new ATOM 0 HD1 TRP B 37 3.070 -10.050 -7.956 1.00 0.00 H new ATOM 0 HE1 TRP B 37 4.399 -9.775 -10.158 1.00 0.00 H new ATOM 0 HE3 TRP B 37 5.570 -5.761 -6.785 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.280 -7.960 -11.198 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 7.133 -4.815 -8.433 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.479 -5.900 -10.612 1.00 0.00 H new ATOM 1727 N ASN B 38 0.894 -6.741 -7.837 1.00 0.00 N ATOM 1728 CA ASN B 38 0.434 -5.688 -8.713 1.00 0.00 C ATOM 1729 C ASN B 38 -0.697 -4.899 -8.062 1.00 0.00 C ATOM 1730 O ASN B 38 -1.120 -3.865 -8.575 1.00 0.00 O ATOM 1731 CB ASN B 38 -0.014 -6.279 -10.050 1.00 0.00 C ATOM 1732 CG ASN B 38 -0.928 -7.485 -9.909 1.00 0.00 C ATOM 1733 OD1 ASN B 38 -1.683 -7.611 -8.946 1.00 0.00 O ATOM 1734 ND2 ASN B 38 -0.857 -8.390 -10.869 1.00 0.00 N ATOM 0 H ASN B 38 0.560 -7.672 -8.086 1.00 0.00 H new ATOM 0 HA ASN B 38 1.259 -4.999 -8.896 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -0.530 -5.509 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.867 -6.567 -10.623 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -1.440 -9.226 -10.826 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -0.219 -8.253 -11.653 1.00 0.00 H new ATOM 1741 N ARG B 39 -1.180 -5.391 -6.923 1.00 0.00 N ATOM 1742 CA ARG B 39 -2.237 -4.723 -6.183 1.00 0.00 C ATOM 1743 C ARG B 39 -1.684 -3.957 -4.984 1.00 0.00 C ATOM 1744 O ARG B 39 -2.421 -3.216 -4.335 1.00 0.00 O ATOM 1745 CB ARG B 39 -3.245 -5.747 -5.674 1.00 0.00 C ATOM 1746 CG ARG B 39 -3.916 -6.568 -6.757 1.00 0.00 C ATOM 1747 CD ARG B 39 -4.907 -7.548 -6.149 1.00 0.00 C ATOM 1748 NE ARG B 39 -5.394 -8.521 -7.119 1.00 0.00 N ATOM 1749 CZ ARG B 39 -6.087 -9.613 -6.795 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -6.430 -9.846 -5.529 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -6.454 -10.465 -7.744 1.00 0.00 N ATOM 0 H ARG B 39 -0.851 -6.256 -6.494 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.716 -4.020 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.739 -6.424 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -4.014 -5.227 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.431 -5.908 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -3.163 -7.111 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -4.433 -8.072 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.752 -6.997 -5.736 1.00 0.00 H new ATOM 0 HE ARG B 39 -5.192 -8.357 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.162 -9.186 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -6.960 -10.684 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -6.206 -10.283 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -6.984 -11.302 -7.501 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.393 -4.135 -4.701 1.00 0.00 N ATOM 1766 CA ILE B 40 0.211 -3.614 -3.468 1.00 0.00 C ATOM 1767 C ILE B 40 -0.075 -2.129 -3.274 1.00 0.00 C ATOM 1768 O ILE B 40 -0.620 -1.726 -2.247 1.00 0.00 O ATOM 1769 CB ILE B 40 1.744 -3.833 -3.449 1.00 0.00 C ATOM 1770 CG1 ILE B 40 2.079 -5.320 -3.340 1.00 0.00 C ATOM 1771 CG2 ILE B 40 2.387 -3.063 -2.301 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.568 -5.601 -3.345 1.00 0.00 C ATOM 0 H ILE B 40 0.257 -4.636 -5.307 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.246 -4.172 -2.650 1.00 0.00 H new ATOM 0 HB ILE B 40 2.148 -3.455 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.645 -5.717 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.613 -5.852 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE B 40 3.464 -3.232 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.186 -1.998 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.972 -3.408 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.736 -6.675 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE B 40 4.004 -5.234 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE B 40 4.036 -5.097 -2.500 1.00 0.00 H new ATOM 1784 N MET B 41 0.251 -1.328 -4.276 1.00 0.00 N ATOM 1785 CA MET B 41 0.086 0.114 -4.166 1.00 0.00 C ATOM 1786 C MET B 41 -1.368 0.519 -4.355 1.00 0.00 C ATOM 1787 O MET B 41 -1.823 1.499 -3.774 1.00 0.00 O ATOM 1788 CB MET B 41 0.971 0.854 -5.173 1.00 0.00 C ATOM 1789 CG MET B 41 2.459 0.639 -4.951 1.00 0.00 C ATOM 1790 SD MET B 41 3.480 1.702 -5.993 1.00 0.00 S ATOM 1791 CE MET B 41 3.058 3.317 -5.343 1.00 0.00 C ATOM 0 H MET B 41 0.628 -1.648 -5.168 1.00 0.00 H new ATOM 0 HA MET B 41 0.396 0.397 -3.160 1.00 0.00 H new ATOM 0 HB2 MET B 41 0.712 0.527 -6.180 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.755 1.921 -5.118 1.00 0.00 H new ATOM 0 HG2 MET B 41 2.697 0.827 -3.904 1.00 0.00 H new ATOM 0 HG3 MET B 41 2.705 -0.404 -5.151 1.00 0.00 H new ATOM 0 HE1 MET B 41 3.868 4.016 -5.552 1.00 0.00 H new ATOM 0 HE2 MET B 41 2.142 3.671 -5.815 1.00 0.00 H new ATOM 0 HE3 MET B 41 2.908 3.248 -4.266 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.093 -0.231 -5.172 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.493 0.068 -5.442 1.00 0.00 C ATOM 1803 C GLU B 42 -4.329 -0.092 -4.184 1.00 0.00 C ATOM 1804 O GLU B 42 -4.986 0.851 -3.738 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.032 -0.848 -6.540 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.450 -0.505 -6.972 1.00 0.00 C ATOM 1807 CD GLU B 42 -5.919 -1.321 -8.157 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -5.634 -0.920 -9.304 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.581 -2.357 -7.950 1.00 0.00 O ATOM 0 H GLU B 42 -1.735 -1.052 -5.660 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.559 1.103 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.373 -0.791 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.007 -1.879 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.129 -0.667 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.501 0.554 -7.224 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.287 -1.288 -3.614 1.00 0.00 N ATOM 1817 CA VAL B 43 -5.058 -1.594 -2.418 1.00 0.00 C ATOM 1818 C VAL B 43 -4.650 -0.679 -1.267 1.00 0.00 C ATOM 1819 O VAL B 43 -5.504 -0.076 -0.621 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.894 -3.070 -1.990 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.694 -3.361 -0.725 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.326 -4.003 -3.111 1.00 0.00 C ATOM 0 H VAL B 43 -3.725 -2.065 -3.962 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.107 -1.425 -2.661 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.839 -3.244 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -5.563 -4.406 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.342 -2.720 0.084 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.750 -3.165 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.203 -5.038 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.373 -3.820 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.712 -3.821 -3.993 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.343 -0.552 -1.047 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.820 0.275 0.039 1.00 0.00 C ATOM 1834 C ALA B 44 -3.271 1.723 -0.099 1.00 0.00 C ATOM 1835 O ALA B 44 -3.671 2.349 0.884 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.304 0.200 0.082 1.00 0.00 C ATOM 0 H ALA B 44 -2.625 -1.012 -1.607 1.00 0.00 H new ATOM 0 HA ALA B 44 -3.220 -0.115 0.975 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.932 0.822 0.896 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.995 -0.833 0.244 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.895 0.557 -0.863 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.220 2.240 -1.324 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.619 3.617 -1.593 1.00 0.00 C ATOM 1844 C GLU B 45 -5.062 3.845 -1.163 1.00 0.00 C ATOM 1845 O GLU B 45 -5.342 4.730 -0.357 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.465 3.941 -3.082 1.00 0.00 C ATOM 1847 CG GLU B 45 -3.682 5.406 -3.424 1.00 0.00 C ATOM 1848 CD GLU B 45 -3.674 5.657 -4.921 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -2.666 5.335 -5.576 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -4.690 6.154 -5.454 1.00 0.00 O ATOM 0 H GLU B 45 -2.906 1.725 -2.146 1.00 0.00 H new ATOM 0 HA GLU B 45 -2.969 4.278 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -2.466 3.648 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -4.174 3.338 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -4.634 5.737 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -2.903 6.006 -2.953 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.970 3.019 -1.681 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.389 3.155 -1.368 1.00 0.00 C ATOM 1859 C LYS B 46 -7.647 2.917 0.119 1.00 0.00 C ATOM 1860 O LYS B 46 -8.503 3.571 0.715 1.00 0.00 O ATOM 1861 CB LYS B 46 -8.245 2.196 -2.205 1.00 0.00 C ATOM 1862 CG LYS B 46 -8.712 2.763 -3.547 1.00 0.00 C ATOM 1863 CD LYS B 46 -7.744 2.466 -4.688 1.00 0.00 C ATOM 1864 CE LYS B 46 -6.578 3.442 -4.740 1.00 0.00 C ATOM 1865 NZ LYS B 46 -7.008 4.828 -5.067 1.00 0.00 N ATOM 0 H LYS B 46 -5.748 2.252 -2.316 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.676 4.177 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.673 1.287 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -9.121 1.909 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.690 2.348 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -8.837 3.842 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -7.359 1.452 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -8.283 2.500 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -6.065 3.442 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -5.858 3.103 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -6.226 5.334 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -7.826 4.795 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -7.273 5.325 -4.193 1.00 0.00 H new ATOM 1879 N THR B 47 -6.896 1.989 0.710 1.00 0.00 N ATOM 1880 CA THR B 47 -7.011 1.703 2.134 1.00 0.00 C ATOM 1881 C THR B 47 -6.677 2.944 2.956 1.00 0.00 C ATOM 1882 O THR B 47 -7.431 3.333 3.853 1.00 0.00 O ATOM 1883 CB THR B 47 -6.085 0.539 2.558 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.376 -0.632 1.785 1.00 0.00 O ATOM 1885 CG2 THR B 47 -6.247 0.220 4.038 1.00 0.00 C ATOM 0 H THR B 47 -6.202 1.423 0.222 1.00 0.00 H new ATOM 0 HA THR B 47 -8.043 1.407 2.323 1.00 0.00 H new ATOM 0 HB THR B 47 -5.056 0.850 2.378 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.938 -0.564 0.911 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.584 -0.602 4.308 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.994 1.100 4.630 1.00 0.00 H new ATOM 0 HG23 THR B 47 -7.280 -0.066 4.238 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.555 3.580 2.634 1.00 0.00 N ATOM 1894 CA TYR B 48 -5.144 4.777 3.344 1.00 0.00 C ATOM 1895 C TYR B 48 -6.125 5.913 3.087 1.00 0.00 C ATOM 1896 O TYR B 48 -6.519 6.617 4.016 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.730 5.200 2.945 1.00 0.00 C ATOM 1898 CG TYR B 48 -3.256 6.443 3.667 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.907 6.395 5.010 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -3.175 7.665 3.012 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -2.489 7.529 5.680 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.753 8.802 3.674 1.00 0.00 C ATOM 1903 CZ TYR B 48 -2.415 8.729 5.009 1.00 0.00 C ATOM 1904 OH TYR B 48 -2.002 9.861 5.675 1.00 0.00 O ATOM 0 H TYR B 48 -4.921 3.286 1.891 1.00 0.00 H new ATOM 0 HA TYR B 48 -5.141 4.548 4.410 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -3.040 4.382 3.152 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.700 5.378 1.870 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.963 5.456 5.540 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.446 7.728 1.968 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.222 7.474 6.725 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.688 9.743 3.149 1.00 0.00 H new ATOM 0 HH TYR B 48 -1.275 9.631 6.290 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.527 6.078 1.826 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.485 7.106 1.451 1.00 0.00 C ATOM 1916 C GLU B 49 -8.756 6.996 2.281 1.00 0.00 C ATOM 1917 O GLU B 49 -9.258 7.997 2.793 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.844 6.987 -0.027 1.00 0.00 C ATOM 1919 CG GLU B 49 -6.718 7.337 -0.978 1.00 0.00 C ATOM 1920 CD GLU B 49 -7.147 7.209 -2.422 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -7.512 6.091 -2.840 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -7.146 8.228 -3.145 1.00 0.00 O ATOM 0 H GLU B 49 -6.199 5.507 1.047 1.00 0.00 H new ATOM 0 HA GLU B 49 -7.020 8.074 1.638 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -8.168 5.966 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.693 7.638 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.383 8.357 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.867 6.682 -0.792 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.264 5.775 2.415 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.493 5.532 3.154 1.00 0.00 C ATOM 1931 C ALA B 50 -10.372 5.999 4.597 1.00 0.00 C ATOM 1932 O ALA B 50 -11.185 6.791 5.064 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.858 4.056 3.108 1.00 0.00 C ATOM 0 H ALA B 50 -8.840 4.936 2.019 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.287 6.108 2.678 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.780 3.892 3.666 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.001 3.749 2.072 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.055 3.469 3.553 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.345 5.527 5.297 1.00 0.00 N ATOM 1940 CA TYR B 51 -9.146 5.887 6.696 1.00 0.00 C ATOM 1941 C TYR B 51 -8.804 7.365 6.847 1.00 0.00 C ATOM 1942 O TYR B 51 -9.247 8.023 7.792 1.00 0.00 O ATOM 1943 CB TYR B 51 -8.049 5.027 7.321 1.00 0.00 C ATOM 1944 CG TYR B 51 -8.529 3.656 7.743 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -8.520 2.586 6.858 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -9.002 3.436 9.030 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -8.970 1.338 7.245 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -9.450 2.191 9.423 1.00 0.00 C ATOM 1949 CZ TYR B 51 -9.434 1.148 8.528 1.00 0.00 C ATOM 1950 OH TYR B 51 -9.881 -0.093 8.915 1.00 0.00 O ATOM 0 H TYR B 51 -8.639 4.895 4.919 1.00 0.00 H new ATOM 0 HA TYR B 51 -10.083 5.701 7.221 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -7.234 4.914 6.606 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.642 5.545 8.190 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.156 2.731 5.852 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -9.020 4.253 9.736 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.958 0.516 6.545 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -9.811 2.037 10.429 1.00 0.00 H new ATOM 0 HH TYR B 51 -9.961 -0.122 9.891 1.00 0.00 H new ATOM 1960 N ARG B 52 -8.024 7.885 5.909 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.631 9.286 5.930 1.00 0.00 C ATOM 1962 C ARG B 52 -8.853 10.180 5.768 1.00 0.00 C ATOM 1963 O ARG B 52 -9.087 11.080 6.573 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.620 9.570 4.816 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.011 10.958 4.881 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.247 11.162 6.182 1.00 0.00 C ATOM 1967 NE ARG B 52 -4.542 12.443 6.218 1.00 0.00 N ATOM 1968 CZ ARG B 52 -5.041 13.558 6.746 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -6.278 13.572 7.232 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -4.300 14.657 6.771 1.00 0.00 N ATOM 0 H ARG B 52 -7.650 7.355 5.122 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.164 9.501 6.891 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.821 8.830 4.866 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -7.111 9.444 3.851 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -5.339 11.104 4.035 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -6.798 11.708 4.796 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -5.941 11.109 7.020 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -4.530 10.351 6.310 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.607 12.484 5.812 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -6.848 12.727 7.201 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -6.658 14.428 7.636 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -3.355 14.644 6.387 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -4.675 15.516 7.174 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.637 9.908 4.731 1.00 0.00 N ATOM 1985 CA GLN B 53 -10.858 10.664 4.471 1.00 0.00 C ATOM 1986 C GLN B 53 -11.878 10.415 5.584 1.00 0.00 C ATOM 1987 O GLN B 53 -12.655 11.296 5.927 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.442 10.274 3.103 1.00 0.00 C ATOM 1989 CG GLN B 53 -12.439 11.278 2.526 1.00 0.00 C ATOM 1990 CD GLN B 53 -13.833 11.171 3.128 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -14.553 12.161 3.235 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -14.230 9.964 3.506 1.00 0.00 N ATOM 0 H GLN B 53 -9.449 9.168 4.055 1.00 0.00 H new ATOM 0 HA GLN B 53 -10.619 11.727 4.453 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -10.622 10.149 2.395 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -11.934 9.306 3.196 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -12.060 12.287 2.687 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -12.506 11.131 1.448 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -13.604 9.165 3.402 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -15.161 9.834 3.901 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.866 9.209 6.146 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.767 8.862 7.242 1.00 0.00 C ATOM 2003 C LEU B 54 -12.516 9.766 8.447 1.00 0.00 C ATOM 2004 O LEU B 54 -13.455 10.261 9.065 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.594 7.391 7.641 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.559 6.880 8.714 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -14.996 6.954 8.219 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.202 5.456 9.110 1.00 0.00 C ATOM 0 H LEU B 54 -11.242 8.455 5.860 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.791 9.010 6.900 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.711 6.775 6.749 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.574 7.247 7.997 1.00 0.00 H new ATOM 0 HG LEU B 54 -13.468 7.517 9.594 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.668 6.587 8.995 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -15.246 7.988 7.982 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -15.105 6.340 7.325 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -13.896 5.106 9.874 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -13.267 4.808 8.236 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -12.186 5.432 9.505 1.00 0.00 H new ATOM 2020 N ASP B 55 -11.246 9.988 8.771 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.890 10.878 9.873 1.00 0.00 C ATOM 2022 C ASP B 55 -11.232 12.320 9.517 1.00 0.00 C ATOM 2023 O ASP B 55 -11.708 13.076 10.359 1.00 0.00 O ATOM 2024 CB ASP B 55 -9.404 10.757 10.222 1.00 0.00 C ATOM 2025 CG ASP B 55 -9.020 11.632 11.400 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -9.518 11.378 12.516 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -8.221 12.577 11.218 1.00 0.00 O ATOM 0 H ASP B 55 -10.450 9.568 8.291 1.00 0.00 H new ATOM 0 HA ASP B 55 -11.468 10.581 10.748 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -9.170 9.718 10.452 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.805 11.034 9.355 1.00 0.00 H new ATOM 2032 N GLU B 56 -11.012 12.682 8.259 1.00 0.00 N ATOM 2033 CA GLU B 56 -11.394 14.001 7.761 1.00 0.00 C ATOM 2034 C GLU B 56 -12.903 14.190 7.868 1.00 0.00 C ATOM 2035 O GLU B 56 -13.385 15.252 8.259 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.941 14.176 6.311 1.00 0.00 C ATOM 2037 CG GLU B 56 -9.439 14.331 6.153 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.899 15.553 6.871 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -9.213 16.682 6.440 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -8.148 15.387 7.856 1.00 0.00 O ATOM 0 H GLU B 56 -10.571 12.081 7.563 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.902 14.758 8.372 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.271 13.314 5.731 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.434 15.052 5.889 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.943 13.440 6.538 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.194 14.399 5.093 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.638 13.146 7.520 1.00 0.00 N ATOM 2048 CA PHE B 57 -15.082 13.125 7.673 1.00 0.00 C ATOM 2049 C PHE B 57 -15.470 13.321 9.137 1.00 0.00 C ATOM 2050 O PHE B 57 -16.336 14.135 9.458 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.629 11.793 7.148 1.00 0.00 C ATOM 2052 CG PHE B 57 -17.085 11.571 7.436 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -18.054 12.016 6.557 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.481 10.922 8.595 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.392 11.815 6.826 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -18.814 10.723 8.870 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.770 11.169 7.985 1.00 0.00 C ATOM 0 H PHE B 57 -13.250 12.290 7.124 1.00 0.00 H new ATOM 0 HA PHE B 57 -15.514 13.944 7.097 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.472 11.748 6.070 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.054 10.978 7.588 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.761 12.526 5.651 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -16.734 10.568 9.290 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -20.142 12.163 6.131 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.110 10.218 9.778 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.817 11.013 8.198 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.808 12.584 10.017 1.00 0.00 N ATOM 2068 CA ARG B 58 -15.089 12.635 11.441 1.00 0.00 C ATOM 2069 C ARG B 58 -14.669 13.979 12.028 1.00 0.00 C ATOM 2070 O ARG B 58 -15.193 14.424 13.046 1.00 0.00 O ATOM 2071 CB ARG B 58 -14.380 11.478 12.140 1.00 0.00 C ATOM 2072 CG ARG B 58 -14.951 10.119 11.756 1.00 0.00 C ATOM 2073 CD ARG B 58 -14.376 8.996 12.600 1.00 0.00 C ATOM 2074 NE ARG B 58 -14.774 9.107 14.004 1.00 0.00 N ATOM 2075 CZ ARG B 58 -15.359 8.127 14.695 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -15.630 6.961 14.120 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -15.678 8.319 15.967 1.00 0.00 N ATOM 0 H ARG B 58 -14.063 11.936 9.763 1.00 0.00 H new ATOM 0 HA ARG B 58 -16.163 12.534 11.599 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -13.319 11.505 11.892 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -14.458 11.608 13.219 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -16.035 10.137 11.869 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -14.743 9.924 10.704 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -14.709 8.037 12.203 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -13.288 9.010 12.529 1.00 0.00 H new ATOM 0 HE ARG B 58 -14.593 9.988 14.484 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -15.391 6.808 13.140 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -16.077 6.219 14.658 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -15.476 9.213 16.414 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -16.125 7.572 16.499 1.00 0.00 H new ATOM 2091 N LYS B 59 -13.708 14.607 11.378 1.00 0.00 N ATOM 2092 CA LYS B 59 -13.265 15.950 11.726 1.00 0.00 C ATOM 2093 C LYS B 59 -14.300 16.975 11.274 1.00 0.00 C ATOM 2094 O LYS B 59 -14.633 17.909 12.007 1.00 0.00 O ATOM 2095 CB LYS B 59 -11.912 16.205 11.054 1.00 0.00 C ATOM 2096 CG LYS B 59 -11.309 17.577 11.292 1.00 0.00 C ATOM 2097 CD LYS B 59 -10.041 17.733 10.470 1.00 0.00 C ATOM 2098 CE LYS B 59 -9.403 19.097 10.647 1.00 0.00 C ATOM 2099 NZ LYS B 59 -8.193 19.240 9.799 1.00 0.00 N ATOM 0 H LYS B 59 -13.207 14.200 10.588 1.00 0.00 H new ATOM 0 HA LYS B 59 -13.154 16.043 12.806 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -11.206 15.452 11.403 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -12.027 16.060 9.980 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -12.026 18.351 11.021 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -11.085 17.707 12.351 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.327 16.961 10.757 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -10.272 17.577 9.416 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -10.123 19.874 10.391 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.136 19.243 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -7.779 20.183 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -7.497 18.513 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -8.454 19.124 8.799 1.00 0.00 H new ATOM 2113 N SER B 60 -14.826 16.771 10.077 1.00 0.00 N ATOM 2114 CA SER B 60 -15.815 17.671 9.510 1.00 0.00 C ATOM 2115 C SER B 60 -17.150 17.544 10.241 1.00 0.00 C ATOM 2116 O SER B 60 -17.855 18.532 10.448 1.00 0.00 O ATOM 2117 CB SER B 60 -15.995 17.391 8.015 1.00 0.00 C ATOM 2118 OG SER B 60 -16.756 18.414 7.395 1.00 0.00 O ATOM 0 H SER B 60 -14.582 15.984 9.476 1.00 0.00 H new ATOM 0 HA SER B 60 -15.457 18.693 9.634 1.00 0.00 H new ATOM 0 HB2 SER B 60 -15.019 17.317 7.535 1.00 0.00 H new ATOM 0 HB3 SER B 60 -16.491 16.430 7.878 1.00 0.00 H new ATOM 0 HG SER B 60 -16.856 18.214 6.441 1.00 0.00 H new ATOM 2124 N THR B 61 -17.497 16.332 10.644 1.00 0.00 N ATOM 2125 CA THR B 61 -18.729 16.120 11.384 1.00 0.00 C ATOM 2126 C THR B 61 -18.572 16.618 12.823 1.00 0.00 C ATOM 2127 O THR B 61 -19.552 16.944 13.483 1.00 0.00 O ATOM 2128 CB THR B 61 -19.172 14.634 11.375 1.00 0.00 C ATOM 2129 OG1 THR B 61 -20.535 14.525 11.808 1.00 0.00 O ATOM 2130 CG2 THR B 61 -18.293 13.778 12.275 1.00 0.00 C ATOM 0 H THR B 61 -16.949 15.489 10.473 1.00 0.00 H new ATOM 0 HA THR B 61 -19.511 16.693 10.885 1.00 0.00 H new ATOM 0 HB THR B 61 -19.073 14.270 10.352 1.00 0.00 H new ATOM 0 HG1 THR B 61 -20.807 13.584 11.798 1.00 0.00 H new ATOM 0 HG21 THR B 61 -18.636 12.744 12.241 1.00 0.00 H new ATOM 0 HG22 THR B 61 -17.260 13.829 11.930 1.00 0.00 H new ATOM 0 HG23 THR B 61 -18.353 14.147 13.299 1.00 0.00 H new