USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= 0.748 K(o=0.8,f=0.093) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 7 SER OG : rot -20:sc= 0.189 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.24) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.709) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.869 K(o=0.87,f=-5.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 23 HIS : no HE2:sc= -0.465 X(o=-0.46,f=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.15 (180deg=0.705) USER MOD Single : A 33 ASN : amide:sc= 0.728 K(o=0.73,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0921 USER MOD Single : A 46 SER OG : rot 87:sc= 1.26 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0762) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.517) USER MOD Single : A 50 THR OG1 : rot 106:sc= 1.3 USER MOD Single : A 54 HIS : no HD1:sc= 0.888 K(o=0.89,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= 1.25 (180deg=-0.342) USER MOD Single : A 57 SER OG : rot 81:sc= 1.3 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0.868) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 65 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2.9!) USER MOD Single : A 69 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.64) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.324) USER MOD Single : A 72 THR OG1 : rot 68:sc= 0.771 USER MOD Single : A 73 THR OG1 : rot 74:sc= 0.0972 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.025) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.613 K(o=-0.61,f=-4.4!) USER MOD Single : A 83 SER OG : rot 102:sc= 0.987 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 92 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.95!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 96 THR OG1 : rot -177:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 5.130 -11.093 -6.262 1.00 0.00 N ATOM 78 CA SER A 7 5.208 -11.722 -4.956 1.00 0.00 C ATOM 79 C SER A 7 4.436 -13.035 -4.934 1.00 0.00 C ATOM 80 O SER A 7 4.045 -13.543 -5.988 1.00 0.00 O ATOM 81 CB SER A 7 4.687 -10.748 -3.899 1.00 0.00 C ATOM 82 OG SER A 7 3.640 -9.949 -4.425 1.00 0.00 O ATOM 0 HA SER A 7 6.247 -11.962 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.327 -11.303 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.500 -10.109 -3.554 1.00 0.00 H new ATOM 0 HG SER A 7 3.680 -9.961 -5.404 1.00 0.00 H new ATOM 88 N LYS A 8 4.235 -13.585 -3.736 1.00 0.00 N ATOM 89 CA LYS A 8 3.524 -14.853 -3.574 1.00 0.00 C ATOM 90 C LYS A 8 2.176 -14.819 -4.280 1.00 0.00 C ATOM 91 O LYS A 8 1.764 -15.802 -4.898 1.00 0.00 O ATOM 92 CB LYS A 8 3.302 -15.165 -2.096 1.00 0.00 C ATOM 93 CG LYS A 8 4.574 -15.422 -1.315 1.00 0.00 C ATOM 94 CD LYS A 8 4.266 -15.700 0.145 1.00 0.00 C ATOM 95 CE LYS A 8 5.529 -15.918 0.960 1.00 0.00 C ATOM 96 NZ LYS A 8 5.241 -15.888 2.418 1.00 0.00 N ATOM 0 H LYS A 8 4.556 -13.170 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 8 4.143 -15.631 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.770 -14.332 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.656 -16.039 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.105 -16.270 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.235 -14.558 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.704 -14.864 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.629 -16.581 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.975 -16.876 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.260 -15.148 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.135 -15.835 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.657 -15.056 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.729 -16.752 2.689 1.00 0.00 H new ATOM 110 N GLU A 9 1.502 -13.678 -4.183 1.00 0.00 N ATOM 111 CA GLU A 9 0.200 -13.497 -4.806 1.00 0.00 C ATOM 112 C GLU A 9 0.285 -13.749 -6.304 1.00 0.00 C ATOM 113 O GLU A 9 -0.546 -14.453 -6.866 1.00 0.00 O ATOM 114 CB GLU A 9 -0.334 -12.086 -4.536 1.00 0.00 C ATOM 115 CG GLU A 9 0.601 -10.982 -5.002 1.00 0.00 C ATOM 116 CD GLU A 9 0.048 -9.600 -4.746 1.00 0.00 C ATOM 117 OE1 GLU A 9 -0.387 -8.940 -5.709 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.050 -9.167 -3.576 1.00 0.00 O ATOM 0 H GLU A 9 1.840 -12.861 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.490 -14.219 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.297 -11.970 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.512 -11.972 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.559 -11.085 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.792 -11.100 -6.069 1.00 0.00 H new ATOM 125 N GLU A 10 1.323 -13.212 -6.930 1.00 0.00 N ATOM 126 CA GLU A 10 1.492 -13.290 -8.359 1.00 0.00 C ATOM 127 C GLU A 10 1.769 -14.715 -8.801 1.00 0.00 C ATOM 128 O GLU A 10 1.094 -15.247 -9.680 1.00 0.00 O ATOM 129 CB GLU A 10 2.649 -12.386 -8.750 1.00 0.00 C ATOM 130 CG GLU A 10 2.334 -10.910 -8.607 1.00 0.00 C ATOM 131 CD GLU A 10 1.501 -10.371 -9.748 1.00 0.00 C ATOM 132 OE1 GLU A 10 0.907 -11.170 -10.503 1.00 0.00 O ATOM 133 OE2 GLU A 10 1.420 -9.137 -9.889 1.00 0.00 O ATOM 0 H GLU A 10 2.070 -12.709 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 10 0.574 -12.968 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.514 -12.627 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.928 -12.592 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.804 -10.746 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.267 -10.349 -8.549 1.00 0.00 H new ATOM 140 N LEU A 11 2.746 -15.330 -8.154 1.00 0.00 N ATOM 141 CA LEU A 11 3.191 -16.670 -8.509 1.00 0.00 C ATOM 142 C LEU A 11 2.063 -17.679 -8.365 1.00 0.00 C ATOM 143 O LEU A 11 1.981 -18.650 -9.118 1.00 0.00 O ATOM 144 CB LEU A 11 4.368 -17.072 -7.623 1.00 0.00 C ATOM 145 CG LEU A 11 5.552 -16.101 -7.645 1.00 0.00 C ATOM 146 CD1 LEU A 11 6.638 -16.564 -6.689 1.00 0.00 C ATOM 147 CD2 LEU A 11 6.105 -15.966 -9.056 1.00 0.00 C ATOM 0 H LEU A 11 3.252 -14.917 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 11 3.505 -16.663 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.015 -17.168 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.718 -18.056 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 11 5.201 -15.122 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.471 -15.862 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.236 -16.609 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.986 -17.553 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.946 -15.272 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.440 -16.941 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.326 -15.588 -9.718 1.00 0.00 H new ATOM 159 N LEU A 12 1.195 -17.447 -7.395 1.00 0.00 N ATOM 160 CA LEU A 12 0.070 -18.329 -7.167 1.00 0.00 C ATOM 161 C LEU A 12 -1.093 -17.995 -8.095 1.00 0.00 C ATOM 162 O LEU A 12 -1.747 -18.899 -8.619 1.00 0.00 O ATOM 163 CB LEU A 12 -0.386 -18.248 -5.714 1.00 0.00 C ATOM 164 CG LEU A 12 -1.564 -19.153 -5.360 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.173 -20.619 -5.471 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.065 -18.835 -3.968 1.00 0.00 C ATOM 0 H LEU A 12 1.250 -16.655 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 12 0.398 -19.346 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.455 -18.502 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.659 -17.217 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.369 -18.967 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.028 -21.244 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.859 -20.835 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.351 -20.829 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.905 -19.486 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.263 -18.994 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.389 -17.795 -3.927 1.00 0.00 H new ATOM 178 N ARG A 13 -1.347 -16.705 -8.323 1.00 0.00 N ATOM 179 CA ARG A 13 -2.519 -16.305 -9.086 1.00 0.00 C ATOM 180 C ARG A 13 -2.361 -16.610 -10.565 1.00 0.00 C ATOM 181 O ARG A 13 -3.308 -16.479 -11.334 1.00 0.00 O ATOM 182 CB ARG A 13 -2.890 -14.836 -8.840 1.00 0.00 C ATOM 183 CG ARG A 13 -1.967 -13.771 -9.412 1.00 0.00 C ATOM 184 CD ARG A 13 -2.496 -12.407 -8.988 1.00 0.00 C ATOM 185 NE ARG A 13 -1.659 -11.276 -9.385 1.00 0.00 N ATOM 186 CZ ARG A 13 -2.015 -10.000 -9.177 1.00 0.00 C ATOM 187 NH1 ARG A 13 -3.210 -9.716 -8.676 1.00 0.00 N ATOM 188 NH2 ARG A 13 -1.196 -9.007 -9.485 1.00 0.00 N ATOM 0 H ARG A 13 -0.765 -15.935 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.353 -16.906 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.888 -14.669 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.954 -14.682 -7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.950 -13.914 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.930 -13.844 -10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.491 -12.271 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.607 -12.397 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.766 -11.466 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.860 -10.469 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.479 -8.745 -8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.280 -9.207 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.481 -8.041 -9.321 1.00 0.00 H new ATOM 202 N GLU A 14 -1.170 -17.040 -10.952 1.00 0.00 N ATOM 203 CA GLU A 14 -0.968 -17.602 -12.282 1.00 0.00 C ATOM 204 C GLU A 14 -1.816 -18.864 -12.439 1.00 0.00 C ATOM 205 O GLU A 14 -2.378 -19.128 -13.502 1.00 0.00 O ATOM 206 CB GLU A 14 0.503 -17.959 -12.523 1.00 0.00 C ATOM 207 CG GLU A 14 1.478 -16.814 -12.305 1.00 0.00 C ATOM 208 CD GLU A 14 2.883 -17.154 -12.768 1.00 0.00 C ATOM 209 OE1 GLU A 14 3.442 -16.401 -13.593 1.00 0.00 O ATOM 210 OE2 GLU A 14 3.428 -18.190 -12.330 1.00 0.00 O ATOM 0 H GLU A 14 -0.333 -17.012 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.266 -16.849 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.776 -18.782 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.612 -18.322 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.125 -15.933 -12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.500 -16.556 -11.246 1.00 0.00 H new ATOM 217 N LYS A 15 -1.911 -19.635 -11.358 1.00 0.00 N ATOM 218 CA LYS A 15 -2.631 -20.901 -11.371 1.00 0.00 C ATOM 219 C LYS A 15 -4.107 -20.718 -11.017 1.00 0.00 C ATOM 220 O LYS A 15 -4.917 -21.620 -11.228 1.00 0.00 O ATOM 221 CB LYS A 15 -1.983 -21.857 -10.381 1.00 0.00 C ATOM 222 CG LYS A 15 -0.489 -21.990 -10.589 1.00 0.00 C ATOM 223 CD LYS A 15 0.118 -22.974 -9.618 1.00 0.00 C ATOM 224 CE LYS A 15 -0.268 -24.405 -9.957 1.00 0.00 C ATOM 225 NZ LYS A 15 0.303 -25.384 -8.995 1.00 0.00 N ATOM 0 H LYS A 15 -1.494 -19.400 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.580 -21.309 -12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.175 -21.508 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.447 -22.839 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.290 -22.315 -11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.015 -21.016 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.204 -22.876 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.211 -22.738 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.354 -24.495 -9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.077 -24.644 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.179 -26.299 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.319 -25.503 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.169 -25.035 -8.024 1.00 0.00 H new ATOM 239 N LEU A 16 -4.449 -19.558 -10.476 1.00 0.00 N ATOM 240 CA LEU A 16 -5.808 -19.295 -10.030 1.00 0.00 C ATOM 241 C LEU A 16 -6.678 -18.828 -11.191 1.00 0.00 C ATOM 242 O LEU A 16 -6.174 -18.309 -12.188 1.00 0.00 O ATOM 243 CB LEU A 16 -5.814 -18.234 -8.923 1.00 0.00 C ATOM 244 CG LEU A 16 -5.004 -18.585 -7.671 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.076 -17.454 -6.658 1.00 0.00 C ATOM 246 CD2 LEU A 16 -5.497 -19.884 -7.051 1.00 0.00 C ATOM 0 H LEU A 16 -3.802 -18.782 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.217 -20.225 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.428 -17.302 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.846 -18.048 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.964 -18.723 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.495 -17.719 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.670 -16.544 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.115 -17.287 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.906 -20.111 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.545 -19.779 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.394 -20.694 -7.773 1.00 0.00 H new ATOM 258 N SER A 17 -7.980 -19.018 -11.058 1.00 0.00 N ATOM 259 CA SER A 17 -8.925 -18.556 -12.063 1.00 0.00 C ATOM 260 C SER A 17 -9.159 -17.060 -11.908 1.00 0.00 C ATOM 261 O SER A 17 -8.778 -16.469 -10.901 1.00 0.00 O ATOM 262 CB SER A 17 -10.257 -19.286 -11.925 1.00 0.00 C ATOM 263 OG SER A 17 -10.087 -20.684 -11.817 1.00 0.00 O ATOM 0 H SER A 17 -8.408 -19.490 -10.262 1.00 0.00 H new ATOM 0 HA SER A 17 -8.504 -18.764 -13.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.783 -18.916 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.884 -19.063 -12.789 1.00 0.00 H new ATOM 0 HG SER A 17 -10.963 -21.114 -11.729 1.00 0.00 H new ATOM 269 N GLU A 18 -9.816 -16.462 -12.888 1.00 0.00 N ATOM 270 CA GLU A 18 -10.074 -15.032 -12.889 1.00 0.00 C ATOM 271 C GLU A 18 -11.028 -14.671 -11.766 1.00 0.00 C ATOM 272 O GLU A 18 -10.904 -13.620 -11.133 1.00 0.00 O ATOM 273 CB GLU A 18 -10.667 -14.601 -14.228 1.00 0.00 C ATOM 274 CG GLU A 18 -9.835 -15.029 -15.422 1.00 0.00 C ATOM 275 CD GLU A 18 -10.257 -16.365 -16.006 1.00 0.00 C ATOM 276 OE1 GLU A 18 -10.540 -16.419 -17.219 1.00 0.00 O ATOM 277 OE2 GLU A 18 -10.314 -17.361 -15.260 1.00 0.00 O ATOM 0 H GLU A 18 -10.184 -16.953 -13.703 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.129 -14.510 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.669 -15.019 -14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.772 -13.516 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.905 -14.265 -16.196 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.788 -15.086 -15.124 1.00 0.00 H new ATOM 284 N ASP A 19 -11.972 -15.565 -11.517 1.00 0.00 N ATOM 285 CA ASP A 19 -12.941 -15.371 -10.445 1.00 0.00 C ATOM 286 C ASP A 19 -12.230 -15.407 -9.097 1.00 0.00 C ATOM 287 O ASP A 19 -12.540 -14.632 -8.197 1.00 0.00 O ATOM 288 CB ASP A 19 -14.051 -16.431 -10.516 1.00 0.00 C ATOM 289 CG ASP A 19 -13.619 -17.805 -10.049 1.00 0.00 C ATOM 290 OD1 ASP A 19 -12.700 -18.376 -10.661 1.00 0.00 O ATOM 291 OD2 ASP A 19 -14.223 -18.331 -9.093 1.00 0.00 O ATOM 0 H ASP A 19 -12.089 -16.432 -12.041 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.412 -14.395 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.894 -16.101 -9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.406 -16.503 -11.544 1.00 0.00 H new ATOM 296 N GLN A 20 -11.243 -16.286 -8.988 1.00 0.00 N ATOM 297 CA GLN A 20 -10.431 -16.386 -7.785 1.00 0.00 C ATOM 298 C GLN A 20 -9.514 -15.172 -7.658 1.00 0.00 C ATOM 299 O GLN A 20 -9.290 -14.664 -6.561 1.00 0.00 O ATOM 300 CB GLN A 20 -9.611 -17.677 -7.815 1.00 0.00 C ATOM 301 CG GLN A 20 -10.468 -18.933 -7.847 1.00 0.00 C ATOM 302 CD GLN A 20 -9.649 -20.201 -7.980 1.00 0.00 C ATOM 303 OE1 GLN A 20 -8.569 -20.198 -8.569 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.161 -21.294 -7.440 1.00 0.00 N ATOM 0 H GLN A 20 -10.985 -16.944 -9.724 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.089 -16.409 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.961 -17.666 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.964 -17.709 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.063 -18.984 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.167 -18.869 -8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.060 -21.253 -6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.657 -22.178 -7.503 1.00 0.00 H new ATOM 313 N LYS A 21 -8.995 -14.707 -8.793 1.00 0.00 N ATOM 314 CA LYS A 21 -8.166 -13.502 -8.830 1.00 0.00 C ATOM 315 C LYS A 21 -8.950 -12.299 -8.322 1.00 0.00 C ATOM 316 O LYS A 21 -8.399 -11.414 -7.666 1.00 0.00 O ATOM 317 CB LYS A 21 -7.672 -13.227 -10.254 1.00 0.00 C ATOM 318 CG LYS A 21 -6.728 -14.285 -10.793 1.00 0.00 C ATOM 319 CD LYS A 21 -6.363 -14.033 -12.249 1.00 0.00 C ATOM 320 CE LYS A 21 -5.528 -15.173 -12.800 1.00 0.00 C ATOM 321 NZ LYS A 21 -5.119 -14.954 -14.211 1.00 0.00 N ATOM 0 H LYS A 21 -9.134 -15.148 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.305 -13.667 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.533 -13.150 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.168 -12.261 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.821 -14.303 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.192 -15.267 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.271 -13.921 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.810 -13.097 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.638 -15.297 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.096 -16.101 -12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.551 -15.762 -14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.966 -14.862 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.553 -14.084 -14.277 1.00 0.00 H new ATOM 335 N THR A 22 -10.242 -12.285 -8.625 1.00 0.00 N ATOM 336 CA THR A 22 -11.120 -11.205 -8.203 1.00 0.00 C ATOM 337 C THR A 22 -11.204 -11.140 -6.676 1.00 0.00 C ATOM 338 O THR A 22 -11.077 -10.067 -6.077 1.00 0.00 O ATOM 339 CB THR A 22 -12.538 -11.384 -8.791 1.00 0.00 C ATOM 340 OG1 THR A 22 -12.466 -11.507 -10.221 1.00 0.00 O ATOM 341 CG2 THR A 22 -13.433 -10.207 -8.430 1.00 0.00 C ATOM 0 H THR A 22 -10.706 -13.015 -9.165 1.00 0.00 H new ATOM 0 HA THR A 22 -10.698 -10.272 -8.577 1.00 0.00 H new ATOM 0 HB THR A 22 -12.967 -12.291 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.992 -12.332 -10.455 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.424 -10.359 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.513 -10.130 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.004 -9.288 -8.829 1.00 0.00 H new ATOM 349 N HIS A 23 -11.385 -12.295 -6.049 1.00 0.00 N ATOM 350 CA HIS A 23 -11.539 -12.358 -4.602 1.00 0.00 C ATOM 351 C HIS A 23 -10.193 -12.345 -3.896 1.00 0.00 C ATOM 352 O HIS A 23 -10.115 -12.071 -2.699 1.00 0.00 O ATOM 353 CB HIS A 23 -12.354 -13.589 -4.206 1.00 0.00 C ATOM 354 CG HIS A 23 -13.762 -13.519 -4.701 1.00 0.00 C ATOM 355 ND1 HIS A 23 -14.182 -14.259 -5.773 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.787 -12.747 -4.268 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.442 -13.923 -5.975 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.856 -13.005 -5.088 1.00 0.00 N ATOM 0 H HIS A 23 -11.429 -13.199 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.080 -11.467 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.875 -14.483 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.357 -13.686 -3.120 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -13.633 -14.933 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.767 -12.059 -3.436 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.063 -14.335 -6.757 1.00 0.00 H new ATOM 366 N LEU A 24 -9.133 -12.638 -4.635 1.00 0.00 N ATOM 367 CA LEU A 24 -7.784 -12.525 -4.101 1.00 0.00 C ATOM 368 C LEU A 24 -7.458 -11.055 -3.847 1.00 0.00 C ATOM 369 O LEU A 24 -6.968 -10.686 -2.779 1.00 0.00 O ATOM 370 CB LEU A 24 -6.768 -13.134 -5.071 1.00 0.00 C ATOM 371 CG LEU A 24 -5.330 -13.190 -4.555 1.00 0.00 C ATOM 372 CD1 LEU A 24 -5.234 -14.094 -3.337 1.00 0.00 C ATOM 373 CD2 LEU A 24 -4.388 -13.667 -5.650 1.00 0.00 C ATOM 0 H LEU A 24 -9.181 -12.955 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.728 -13.074 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.088 -14.146 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.783 -12.559 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.032 -12.184 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.203 -14.121 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.878 -13.709 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.552 -15.101 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.369 -13.700 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.685 -14.663 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.434 -12.979 -6.494 1.00 0.00 H new ATOM 385 N ASP A 25 -7.751 -10.221 -4.839 1.00 0.00 N ATOM 386 CA ASP A 25 -7.592 -8.773 -4.706 1.00 0.00 C ATOM 387 C ASP A 25 -8.509 -8.241 -3.612 1.00 0.00 C ATOM 388 O ASP A 25 -8.124 -7.372 -2.830 1.00 0.00 O ATOM 389 CB ASP A 25 -7.905 -8.077 -6.029 1.00 0.00 C ATOM 390 CG ASP A 25 -7.677 -6.579 -5.961 1.00 0.00 C ATOM 391 OD1 ASP A 25 -8.664 -5.827 -5.808 1.00 0.00 O ATOM 392 OD2 ASP A 25 -6.509 -6.151 -6.060 1.00 0.00 O ATOM 0 H ASP A 25 -8.101 -10.522 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.557 -8.564 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.282 -8.501 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.942 -8.272 -6.303 1.00 0.00 H new ATOM 397 N TRP A 26 -9.725 -8.782 -3.562 1.00 0.00 N ATOM 398 CA TRP A 26 -10.681 -8.440 -2.511 1.00 0.00 C ATOM 399 C TRP A 26 -10.089 -8.754 -1.142 1.00 0.00 C ATOM 400 O TRP A 26 -10.204 -7.965 -0.205 1.00 0.00 O ATOM 401 CB TRP A 26 -11.992 -9.215 -2.710 1.00 0.00 C ATOM 402 CG TRP A 26 -13.045 -8.910 -1.682 1.00 0.00 C ATOM 403 CD1 TRP A 26 -14.003 -7.937 -1.753 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.252 -9.587 -0.431 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.788 -7.965 -0.625 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.346 -8.967 0.202 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.617 -10.651 0.216 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.821 -9.383 1.443 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.086 -11.058 1.452 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.178 -10.425 2.053 1.00 0.00 C ATOM 0 H TRP A 26 -10.072 -9.461 -4.239 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.895 -7.373 -2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.389 -8.989 -3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.777 -10.283 -2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -14.125 -7.247 -2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.572 -7.342 -0.434 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.774 -11.147 -0.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.668 -8.900 1.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.601 -11.878 1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.521 -10.766 3.019 1.00 0.00 H new ATOM 421 N LEU A 27 -9.446 -9.910 -1.043 1.00 0.00 N ATOM 422 CA LEU A 27 -8.825 -10.343 0.199 1.00 0.00 C ATOM 423 C LEU A 27 -7.671 -9.420 0.579 1.00 0.00 C ATOM 424 O LEU A 27 -7.420 -9.185 1.762 1.00 0.00 O ATOM 425 CB LEU A 27 -8.334 -11.785 0.066 1.00 0.00 C ATOM 426 CG LEU A 27 -7.785 -12.405 1.350 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.842 -12.394 2.442 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.314 -13.823 1.084 1.00 0.00 C ATOM 0 H LEU A 27 -9.341 -10.568 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.571 -10.297 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.158 -12.401 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.556 -11.818 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.936 -11.811 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.433 -12.839 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.143 -11.367 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.709 -12.968 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.925 -14.256 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.151 -14.423 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.528 -13.810 0.329 1.00 0.00 H new ATOM 440 N LYS A 28 -6.979 -8.892 -0.426 1.00 0.00 N ATOM 441 CA LYS A 28 -5.915 -7.922 -0.197 1.00 0.00 C ATOM 442 C LYS A 28 -6.472 -6.712 0.541 1.00 0.00 C ATOM 443 O LYS A 28 -5.887 -6.231 1.511 1.00 0.00 O ATOM 444 CB LYS A 28 -5.303 -7.485 -1.532 1.00 0.00 C ATOM 445 CG LYS A 28 -4.184 -6.462 -1.401 1.00 0.00 C ATOM 446 CD LYS A 28 -3.688 -5.994 -2.764 1.00 0.00 C ATOM 447 CE LYS A 28 -2.875 -7.064 -3.477 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.525 -7.231 -2.874 1.00 0.00 N ATOM 0 H LYS A 28 -7.137 -9.120 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.137 -8.385 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.917 -8.365 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.090 -7.067 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.539 -5.605 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.356 -6.898 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.541 -5.715 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.078 -5.099 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.410 -8.013 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.772 -6.800 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.210 -8.215 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.853 -6.592 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.567 -7.004 -1.860 1.00 0.00 H new ATOM 462 N GLU A 29 -7.623 -6.245 0.079 1.00 0.00 N ATOM 463 CA GLU A 29 -8.302 -5.117 0.702 1.00 0.00 C ATOM 464 C GLU A 29 -8.887 -5.524 2.054 1.00 0.00 C ATOM 465 O GLU A 29 -8.853 -4.755 3.013 1.00 0.00 O ATOM 466 CB GLU A 29 -9.417 -4.596 -0.209 1.00 0.00 C ATOM 467 CG GLU A 29 -8.967 -4.327 -1.633 1.00 0.00 C ATOM 468 CD GLU A 29 -10.073 -3.754 -2.493 1.00 0.00 C ATOM 469 OE1 GLU A 29 -9.890 -2.650 -3.048 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.135 -4.397 -2.615 1.00 0.00 O ATOM 0 H GLU A 29 -8.109 -6.632 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.571 -4.323 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.230 -5.322 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.820 -3.676 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.126 -3.634 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.609 -5.255 -2.079 1.00 0.00 H new ATOM 477 N ALA A 30 -9.407 -6.747 2.112 1.00 0.00 N ATOM 478 CA ALA A 30 -10.043 -7.275 3.316 1.00 0.00 C ATOM 479 C ALA A 30 -9.065 -7.341 4.483 1.00 0.00 C ATOM 480 O ALA A 30 -9.381 -6.914 5.595 1.00 0.00 O ATOM 481 CB ALA A 30 -10.624 -8.656 3.044 1.00 0.00 C ATOM 0 H ALA A 30 -9.400 -7.399 1.328 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.848 -6.594 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.095 -9.038 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.367 -8.588 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.826 -9.332 2.737 1.00 0.00 H new ATOM 487 N LEU A 31 -7.883 -7.882 4.226 1.00 0.00 N ATOM 488 CA LEU A 31 -6.855 -7.996 5.253 1.00 0.00 C ATOM 489 C LEU A 31 -6.168 -6.650 5.459 1.00 0.00 C ATOM 490 O LEU A 31 -5.680 -6.342 6.551 1.00 0.00 O ATOM 491 CB LEU A 31 -5.843 -9.083 4.871 1.00 0.00 C ATOM 492 CG LEU A 31 -6.449 -10.479 4.676 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.378 -11.477 4.275 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.163 -10.946 5.938 1.00 0.00 C ATOM 0 H LEU A 31 -7.611 -8.250 3.314 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.321 -8.286 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.342 -8.787 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.079 -9.138 5.646 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.183 -10.416 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.829 -12.460 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.917 -11.160 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.618 -11.529 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.583 -11.938 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.453 -10.986 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.964 -10.249 6.182 1.00 0.00 H new ATOM 506 N GLY A 32 -6.154 -5.841 4.410 1.00 0.00 N ATOM 507 CA GLY A 32 -5.585 -4.514 4.493 1.00 0.00 C ATOM 508 C GLY A 32 -4.078 -4.537 4.425 1.00 0.00 C ATOM 509 O GLY A 32 -3.483 -4.023 3.479 1.00 0.00 O ATOM 0 H GLY A 32 -6.531 -6.085 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.975 -3.902 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.898 -4.043 5.425 1.00 0.00 H new ATOM 513 N ASN A 33 -3.465 -5.152 5.424 1.00 0.00 N ATOM 514 CA ASN A 33 -2.020 -5.267 5.479 1.00 0.00 C ATOM 515 C ASN A 33 -1.542 -6.273 4.451 1.00 0.00 C ATOM 516 O ASN A 33 -1.848 -7.463 4.540 1.00 0.00 O ATOM 517 CB ASN A 33 -1.562 -5.685 6.877 1.00 0.00 C ATOM 518 CG ASN A 33 -0.069 -5.950 6.968 1.00 0.00 C ATOM 519 OD1 ASN A 33 0.729 -5.396 6.212 1.00 0.00 O ATOM 520 ND2 ASN A 33 0.318 -6.799 7.906 1.00 0.00 N ATOM 0 H ASN A 33 -3.951 -5.581 6.211 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.587 -4.292 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.829 -4.903 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.102 -6.584 7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.308 -7.014 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.374 -7.238 8.513 1.00 0.00 H new ATOM 527 N ASP A 34 -0.794 -5.783 3.477 1.00 0.00 N ATOM 528 CA ASP A 34 -0.249 -6.626 2.424 1.00 0.00 C ATOM 529 C ASP A 34 0.624 -7.720 3.023 1.00 0.00 C ATOM 530 O ASP A 34 0.705 -8.830 2.499 1.00 0.00 O ATOM 531 CB ASP A 34 0.569 -5.776 1.457 1.00 0.00 C ATOM 532 CG ASP A 34 1.021 -6.551 0.241 1.00 0.00 C ATOM 533 OD1 ASP A 34 0.193 -6.789 -0.668 1.00 0.00 O ATOM 534 OD2 ASP A 34 2.212 -6.911 0.170 1.00 0.00 O ATOM 0 H ASP A 34 -0.548 -4.797 3.393 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.072 -7.094 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.027 -4.921 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.442 -5.380 1.976 1.00 0.00 H new ATOM 539 N GLY A 35 1.239 -7.400 4.153 1.00 0.00 N ATOM 540 CA GLY A 35 2.090 -8.345 4.844 1.00 0.00 C ATOM 541 C GLY A 35 1.334 -9.565 5.328 1.00 0.00 C ATOM 542 O GLY A 35 1.787 -10.696 5.147 1.00 0.00 O ATOM 0 H GLY A 35 1.161 -6.490 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.892 -8.660 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.559 -7.851 5.695 1.00 0.00 H new ATOM 546 N GLU A 36 0.174 -9.354 5.943 1.00 0.00 N ATOM 547 CA GLU A 36 -0.614 -10.476 6.439 1.00 0.00 C ATOM 548 C GLU A 36 -1.442 -11.100 5.323 1.00 0.00 C ATOM 549 O GLU A 36 -1.912 -12.229 5.445 1.00 0.00 O ATOM 550 CB GLU A 36 -1.493 -10.050 7.611 1.00 0.00 C ATOM 551 CG GLU A 36 -2.422 -8.897 7.311 1.00 0.00 C ATOM 552 CD GLU A 36 -2.970 -8.274 8.575 1.00 0.00 C ATOM 553 OE1 GLU A 36 -2.158 -7.853 9.426 1.00 0.00 O ATOM 554 OE2 GLU A 36 -4.199 -8.188 8.722 1.00 0.00 O ATOM 0 H GLU A 36 -0.235 -8.434 6.108 1.00 0.00 H new ATOM 0 HA GLU A 36 0.076 -11.238 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.088 -10.905 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.852 -9.775 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.889 -8.141 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.247 -9.247 6.691 1.00 0.00 H new ATOM 561 N PHE A 37 -1.608 -10.363 4.236 1.00 0.00 N ATOM 562 CA PHE A 37 -2.223 -10.909 3.037 1.00 0.00 C ATOM 563 C PHE A 37 -1.280 -11.920 2.396 1.00 0.00 C ATOM 564 O PHE A 37 -1.707 -12.983 1.953 1.00 0.00 O ATOM 565 CB PHE A 37 -2.575 -9.783 2.057 1.00 0.00 C ATOM 566 CG PHE A 37 -3.051 -10.255 0.709 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.375 -9.886 -0.443 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.175 -11.060 0.592 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.810 -10.307 -1.686 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.613 -11.487 -0.648 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.931 -11.109 -1.789 1.00 0.00 C ATOM 0 H PHE A 37 -1.326 -9.386 4.160 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.149 -11.418 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.349 -9.159 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.697 -9.152 1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.497 -9.261 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.714 -11.356 1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.274 -10.010 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.488 -12.116 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.273 -11.439 -2.759 1.00 0.00 H new ATOM 581 N ASP A 38 0.006 -11.579 2.387 1.00 0.00 N ATOM 582 CA ASP A 38 1.068 -12.454 1.877 1.00 0.00 C ATOM 583 C ASP A 38 0.969 -13.847 2.485 1.00 0.00 C ATOM 584 O ASP A 38 1.142 -14.861 1.803 1.00 0.00 O ATOM 585 CB ASP A 38 2.421 -11.847 2.233 1.00 0.00 C ATOM 586 CG ASP A 38 3.584 -12.575 1.597 1.00 0.00 C ATOM 587 OD1 ASP A 38 3.890 -12.298 0.416 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.203 -13.419 2.284 1.00 0.00 O ATOM 0 H ASP A 38 0.347 -10.683 2.735 1.00 0.00 H new ATOM 0 HA ASP A 38 0.959 -12.542 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.438 -10.803 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.543 -11.856 3.316 1.00 0.00 H new ATOM 593 N LYS A 39 0.691 -13.868 3.778 1.00 0.00 N ATOM 594 CA LYS A 39 0.531 -15.105 4.547 1.00 0.00 C ATOM 595 C LYS A 39 -0.406 -16.101 3.854 1.00 0.00 C ATOM 596 O LYS A 39 -0.110 -17.295 3.788 1.00 0.00 O ATOM 597 CB LYS A 39 -0.010 -14.771 5.942 1.00 0.00 C ATOM 598 CG LYS A 39 -0.339 -15.986 6.794 1.00 0.00 C ATOM 599 CD LYS A 39 0.904 -16.772 7.162 1.00 0.00 C ATOM 600 CE LYS A 39 0.545 -18.019 7.947 1.00 0.00 C ATOM 601 NZ LYS A 39 1.747 -18.761 8.407 1.00 0.00 N ATOM 0 H LYS A 39 0.568 -13.022 4.335 1.00 0.00 H new ATOM 0 HA LYS A 39 1.510 -15.577 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.725 -14.162 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.909 -14.164 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.848 -15.665 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.030 -16.632 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.444 -17.050 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.573 -16.146 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.060 -17.741 8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.067 -18.673 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.452 -19.605 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.312 -19.051 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.320 -18.148 9.022 1.00 0.00 H new ATOM 615 N PHE A 40 -1.524 -15.598 3.341 1.00 0.00 N ATOM 616 CA PHE A 40 -2.539 -16.428 2.695 1.00 0.00 C ATOM 617 C PHE A 40 -1.952 -17.256 1.555 1.00 0.00 C ATOM 618 O PHE A 40 -2.239 -18.447 1.424 1.00 0.00 O ATOM 619 CB PHE A 40 -3.654 -15.530 2.155 1.00 0.00 C ATOM 620 CG PHE A 40 -4.756 -16.271 1.450 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.720 -16.963 2.166 1.00 0.00 C ATOM 622 CD2 PHE A 40 -4.830 -16.263 0.070 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.737 -17.633 1.514 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.843 -16.932 -0.587 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.798 -17.618 0.135 1.00 0.00 C ATOM 0 H PHE A 40 -1.753 -14.604 3.360 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.935 -17.120 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.083 -14.965 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.220 -14.806 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.676 -16.979 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.086 -15.727 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.483 -18.168 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.888 -16.918 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.591 -18.142 -0.378 1.00 0.00 H new ATOM 635 N LEU A 41 -1.131 -16.612 0.736 1.00 0.00 N ATOM 636 CA LEU A 41 -0.561 -17.227 -0.443 1.00 0.00 C ATOM 637 C LEU A 41 0.390 -18.360 -0.082 1.00 0.00 C ATOM 638 O LEU A 41 0.638 -19.260 -0.882 1.00 0.00 O ATOM 639 CB LEU A 41 0.193 -16.170 -1.232 1.00 0.00 C ATOM 640 CG LEU A 41 -0.647 -15.036 -1.826 1.00 0.00 C ATOM 641 CD1 LEU A 41 -1.700 -15.579 -2.773 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.287 -14.154 -0.768 1.00 0.00 C ATOM 0 H LEU A 41 -0.844 -15.643 0.877 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.372 -17.647 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.948 -15.731 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.723 -16.665 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 41 0.043 -14.405 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.283 -14.753 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.214 -16.118 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.361 -16.257 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.869 -13.369 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.943 -14.757 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.509 -13.702 -0.152 1.00 0.00 H new ATOM 654 N GLY A 42 0.926 -18.302 1.125 1.00 0.00 N ATOM 655 CA GLY A 42 1.864 -19.312 1.574 1.00 0.00 C ATOM 656 C GLY A 42 1.183 -20.520 2.188 1.00 0.00 C ATOM 657 O GLY A 42 1.648 -21.061 3.192 1.00 0.00 O ATOM 0 H GLY A 42 0.728 -17.570 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.474 -19.635 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.541 -18.872 2.306 1.00 0.00 H new ATOM 661 N TYR A 43 0.083 -20.947 1.588 1.00 0.00 N ATOM 662 CA TYR A 43 -0.648 -22.109 2.061 1.00 0.00 C ATOM 663 C TYR A 43 -0.838 -23.121 0.942 1.00 0.00 C ATOM 664 O TYR A 43 -0.315 -22.947 -0.159 1.00 0.00 O ATOM 665 CB TYR A 43 -2.008 -21.698 2.618 1.00 0.00 C ATOM 666 CG TYR A 43 -1.971 -21.257 4.058 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.266 -19.950 4.422 1.00 0.00 C ATOM 668 CD2 TYR A 43 -1.651 -22.163 5.057 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.250 -19.561 5.746 1.00 0.00 C ATOM 670 CE2 TYR A 43 -1.626 -21.784 6.380 1.00 0.00 C ATOM 671 CZ TYR A 43 -1.927 -20.484 6.723 1.00 0.00 C ATOM 672 OH TYR A 43 -1.914 -20.105 8.045 1.00 0.00 O ATOM 0 H TYR A 43 -0.325 -20.501 0.766 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.063 -22.570 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.408 -20.887 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.697 -22.537 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.512 -19.227 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.417 -23.184 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.488 -18.543 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.372 -22.502 7.145 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.668 -20.872 8.603 1.00 0.00 H new ATOM 682 N ASP A 44 -1.584 -24.180 1.231 1.00 0.00 N ATOM 683 CA ASP A 44 -1.878 -25.201 0.228 1.00 0.00 C ATOM 684 C ASP A 44 -2.909 -24.685 -0.751 1.00 0.00 C ATOM 685 O ASP A 44 -3.875 -24.039 -0.346 1.00 0.00 O ATOM 686 CB ASP A 44 -2.425 -26.469 0.877 1.00 0.00 C ATOM 687 CG ASP A 44 -2.382 -27.663 -0.057 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.276 -27.784 -0.916 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.457 -28.487 0.075 1.00 0.00 O ATOM 0 H ASP A 44 -1.996 -24.356 2.147 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.946 -25.433 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.848 -26.692 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.453 -26.297 1.194 1.00 0.00 H new ATOM 694 N GLU A 45 -2.722 -24.995 -2.027 1.00 0.00 N ATOM 695 CA GLU A 45 -3.664 -24.606 -3.061 1.00 0.00 C ATOM 696 C GLU A 45 -5.068 -25.088 -2.728 1.00 0.00 C ATOM 697 O GLU A 45 -6.045 -24.389 -2.985 1.00 0.00 O ATOM 698 CB GLU A 45 -3.226 -25.175 -4.405 1.00 0.00 C ATOM 699 CG GLU A 45 -2.120 -24.380 -5.071 1.00 0.00 C ATOM 700 CD GLU A 45 -1.693 -24.975 -6.397 1.00 0.00 C ATOM 701 OE1 GLU A 45 -0.543 -25.443 -6.500 1.00 0.00 O ATOM 702 OE2 GLU A 45 -2.510 -24.987 -7.343 1.00 0.00 O ATOM 0 H GLU A 45 -1.918 -25.520 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.679 -23.518 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.889 -26.202 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.087 -25.212 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.458 -23.356 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.259 -24.333 -4.404 1.00 0.00 H new ATOM 709 N SER A 46 -5.159 -26.271 -2.138 1.00 0.00 N ATOM 710 CA SER A 46 -6.445 -26.845 -1.781 1.00 0.00 C ATOM 711 C SER A 46 -7.155 -25.972 -0.749 1.00 0.00 C ATOM 712 O SER A 46 -8.362 -25.763 -0.831 1.00 0.00 O ATOM 713 CB SER A 46 -6.259 -28.260 -1.239 1.00 0.00 C ATOM 714 OG SER A 46 -5.358 -29.002 -2.048 1.00 0.00 O ATOM 0 H SER A 46 -4.356 -26.851 -1.897 1.00 0.00 H new ATOM 0 HA SER A 46 -7.064 -26.891 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.883 -28.215 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.223 -28.768 -1.202 1.00 0.00 H new ATOM 0 HG SER A 46 -4.439 -28.838 -1.749 1.00 0.00 H new ATOM 720 N LYS A 47 -6.399 -25.432 0.204 1.00 0.00 N ATOM 721 CA LYS A 47 -6.983 -24.594 1.239 1.00 0.00 C ATOM 722 C LYS A 47 -7.251 -23.202 0.691 1.00 0.00 C ATOM 723 O LYS A 47 -8.288 -22.599 0.964 1.00 0.00 O ATOM 724 CB LYS A 47 -6.040 -24.524 2.440 1.00 0.00 C ATOM 725 CG LYS A 47 -5.736 -25.885 3.043 1.00 0.00 C ATOM 726 CD LYS A 47 -4.756 -25.777 4.197 1.00 0.00 C ATOM 727 CE LYS A 47 -4.458 -27.137 4.799 1.00 0.00 C ATOM 728 NZ LYS A 47 -3.695 -28.009 3.870 1.00 0.00 N ATOM 0 H LYS A 47 -5.390 -25.560 0.278 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.930 -25.027 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.106 -24.053 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.483 -23.886 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.661 -26.344 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.325 -26.540 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.830 -25.321 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.166 -25.120 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.891 -27.008 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.394 -27.626 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.383 -28.864 4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.302 -28.280 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.864 -27.494 3.514 1.00 0.00 H new ATOM 742 N ILE A 48 -6.313 -22.720 -0.107 1.00 0.00 N ATOM 743 CA ILE A 48 -6.393 -21.395 -0.698 1.00 0.00 C ATOM 744 C ILE A 48 -7.603 -21.255 -1.626 1.00 0.00 C ATOM 745 O ILE A 48 -8.409 -20.334 -1.478 1.00 0.00 O ATOM 746 CB ILE A 48 -5.100 -21.086 -1.477 1.00 0.00 C ATOM 747 CG1 ILE A 48 -3.921 -21.002 -0.507 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.238 -19.807 -2.281 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.584 -20.789 -1.177 1.00 0.00 C ATOM 0 H ILE A 48 -5.473 -23.238 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.513 -20.680 0.116 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.916 -21.895 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.098 -20.186 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.880 -21.921 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.310 -19.614 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.057 -19.911 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.446 -18.975 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.801 -20.741 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.381 -21.617 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.603 -19.855 -1.739 1.00 0.00 H new ATOM 761 N LYS A 49 -7.730 -22.172 -2.574 1.00 0.00 N ATOM 762 CA LYS A 49 -8.810 -22.109 -3.550 1.00 0.00 C ATOM 763 C LYS A 49 -10.162 -22.314 -2.880 1.00 0.00 C ATOM 764 O LYS A 49 -11.155 -21.711 -3.283 1.00 0.00 O ATOM 765 CB LYS A 49 -8.583 -23.139 -4.659 1.00 0.00 C ATOM 766 CG LYS A 49 -7.296 -22.896 -5.427 1.00 0.00 C ATOM 767 CD LYS A 49 -6.980 -24.024 -6.392 1.00 0.00 C ATOM 768 CE LYS A 49 -5.589 -23.851 -6.981 1.00 0.00 C ATOM 769 NZ LYS A 49 -5.183 -25.005 -7.826 1.00 0.00 N ATOM 0 H LYS A 49 -7.101 -22.967 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.812 -21.116 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.558 -24.138 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.425 -23.114 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.376 -21.960 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.472 -22.781 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.045 -24.981 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.720 -24.043 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.561 -22.940 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.868 -23.725 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.146 -25.086 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.598 -25.878 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.520 -24.858 -8.799 1.00 0.00 H new ATOM 783 N THR A 50 -10.197 -23.145 -1.844 1.00 0.00 N ATOM 784 CA THR A 50 -11.421 -23.354 -1.089 1.00 0.00 C ATOM 785 C THR A 50 -11.806 -22.082 -0.333 1.00 0.00 C ATOM 786 O THR A 50 -12.977 -21.701 -0.302 1.00 0.00 O ATOM 787 CB THR A 50 -11.280 -24.529 -0.100 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.943 -25.723 -0.815 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.567 -24.749 0.680 1.00 0.00 C ATOM 0 H THR A 50 -9.395 -23.681 -1.511 1.00 0.00 H new ATOM 0 HA THR A 50 -12.209 -23.601 -1.801 1.00 0.00 H new ATOM 0 HB THR A 50 -10.488 -24.285 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.999 -25.939 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.437 -25.584 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.810 -23.848 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.378 -24.973 -0.012 1.00 0.00 H new ATOM 797 N ALA A 51 -10.811 -21.416 0.250 1.00 0.00 N ATOM 798 CA ALA A 51 -11.041 -20.171 0.974 1.00 0.00 C ATOM 799 C ALA A 51 -11.611 -19.100 0.050 1.00 0.00 C ATOM 800 O ALA A 51 -12.630 -18.481 0.358 1.00 0.00 O ATOM 801 CB ALA A 51 -9.751 -19.683 1.622 1.00 0.00 C ATOM 0 H ALA A 51 -9.837 -21.720 0.234 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.772 -20.367 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.942 -18.753 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.387 -20.436 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.000 -19.510 0.852 1.00 0.00 H new ATOM 807 N LEU A 52 -10.964 -18.903 -1.095 1.00 0.00 N ATOM 808 CA LEU A 52 -11.399 -17.895 -2.058 1.00 0.00 C ATOM 809 C LEU A 52 -12.791 -18.207 -2.593 1.00 0.00 C ATOM 810 O LEU A 52 -13.648 -17.324 -2.674 1.00 0.00 O ATOM 811 CB LEU A 52 -10.407 -17.793 -3.218 1.00 0.00 C ATOM 812 CG LEU A 52 -9.015 -17.281 -2.841 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.090 -17.305 -4.049 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.101 -15.874 -2.266 1.00 0.00 C ATOM 0 H LEU A 52 -10.137 -19.428 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.437 -16.938 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.303 -18.777 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.826 -17.133 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.603 -17.942 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.105 -16.937 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.002 -18.326 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.499 -16.669 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.102 -15.526 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.535 -15.204 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.728 -15.883 -1.374 1.00 0.00 H new ATOM 826 N ASP A 53 -13.021 -19.467 -2.939 1.00 0.00 N ATOM 827 CA ASP A 53 -14.304 -19.875 -3.502 1.00 0.00 C ATOM 828 C ASP A 53 -15.413 -19.782 -2.459 1.00 0.00 C ATOM 829 O ASP A 53 -16.565 -19.522 -2.797 1.00 0.00 O ATOM 830 CB ASP A 53 -14.229 -21.296 -4.069 1.00 0.00 C ATOM 831 CG ASP A 53 -15.502 -21.691 -4.795 1.00 0.00 C ATOM 832 OD1 ASP A 53 -16.240 -22.558 -4.282 1.00 0.00 O ATOM 833 OD2 ASP A 53 -15.775 -21.129 -5.878 1.00 0.00 O ATOM 0 H ASP A 53 -12.341 -20.221 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.538 -19.191 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.385 -21.368 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.042 -22.000 -3.258 1.00 0.00 H new ATOM 838 N HIS A 54 -15.068 -19.989 -1.190 1.00 0.00 N ATOM 839 CA HIS A 54 -16.033 -19.822 -0.108 1.00 0.00 C ATOM 840 C HIS A 54 -16.455 -18.361 -0.003 1.00 0.00 C ATOM 841 O HIS A 54 -17.646 -18.056 0.066 1.00 0.00 O ATOM 842 CB HIS A 54 -15.457 -20.301 1.228 1.00 0.00 C ATOM 843 CG HIS A 54 -16.384 -20.086 2.383 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.525 -20.832 2.540 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.315 -19.170 3.374 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.122 -20.352 3.617 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.426 -19.345 4.157 1.00 0.00 N ATOM 0 H HIS A 54 -14.135 -20.270 -0.888 1.00 0.00 H new ATOM 0 HA HIS A 54 -16.907 -20.432 -0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.220 -21.362 1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.520 -19.778 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.533 -18.439 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.055 -20.726 4.012 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.674 -18.811 4.990 1.00 0.00 H new ATOM 855 N ILE A 55 -15.469 -17.467 0.003 1.00 0.00 N ATOM 856 CA ILE A 55 -15.726 -16.029 0.001 1.00 0.00 C ATOM 857 C ILE A 55 -16.662 -15.672 -1.148 1.00 0.00 C ATOM 858 O ILE A 55 -17.631 -14.928 -0.978 1.00 0.00 O ATOM 859 CB ILE A 55 -14.409 -15.229 -0.138 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.482 -15.524 1.045 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.689 -13.736 -0.233 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.109 -14.899 0.916 1.00 0.00 C ATOM 0 H ILE A 55 -14.480 -17.715 0.009 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.192 -15.766 0.951 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.914 -15.541 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.951 -15.163 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.371 -16.604 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.748 -13.195 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.313 -13.538 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.207 -13.405 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.510 -15.152 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.619 -15.278 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.208 -13.816 0.845 1.00 0.00 H new ATOM 874 N LYS A 56 -16.370 -16.238 -2.312 1.00 0.00 N ATOM 875 CA LYS A 56 -17.201 -16.063 -3.493 1.00 0.00 C ATOM 876 C LYS A 56 -18.616 -16.591 -3.257 1.00 0.00 C ATOM 877 O LYS A 56 -19.591 -15.926 -3.588 1.00 0.00 O ATOM 878 CB LYS A 56 -16.569 -16.787 -4.683 1.00 0.00 C ATOM 879 CG LYS A 56 -17.374 -16.677 -5.963 1.00 0.00 C ATOM 880 CD LYS A 56 -16.656 -17.337 -7.123 1.00 0.00 C ATOM 881 CE LYS A 56 -17.487 -17.285 -8.389 1.00 0.00 C ATOM 882 NZ LYS A 56 -16.911 -18.140 -9.457 1.00 0.00 N ATOM 0 H LYS A 56 -15.553 -16.829 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.268 -14.996 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.572 -16.381 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.445 -17.840 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.349 -17.144 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.553 -15.627 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.701 -16.840 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.435 -18.375 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.504 -17.610 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.550 -16.255 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.930 -17.626 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.928 -18.381 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.470 -19.012 -9.543 1.00 0.00 H new ATOM 896 N SER A 57 -18.715 -17.781 -2.675 1.00 0.00 N ATOM 897 CA SER A 57 -20.006 -18.417 -2.431 1.00 0.00 C ATOM 898 C SER A 57 -20.855 -17.596 -1.459 1.00 0.00 C ATOM 899 O SER A 57 -22.080 -17.548 -1.579 1.00 0.00 O ATOM 900 CB SER A 57 -19.794 -19.831 -1.893 1.00 0.00 C ATOM 901 OG SER A 57 -18.998 -20.596 -2.789 1.00 0.00 O ATOM 0 H SER A 57 -17.913 -18.328 -2.362 1.00 0.00 H new ATOM 0 HA SER A 57 -20.546 -18.471 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.310 -19.785 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.758 -20.319 -1.748 1.00 0.00 H new ATOM 0 HG SER A 57 -18.052 -20.376 -2.656 1.00 0.00 H new ATOM 907 N GLU A 58 -20.199 -16.957 -0.495 1.00 0.00 N ATOM 908 CA GLU A 58 -20.874 -16.049 0.416 1.00 0.00 C ATOM 909 C GLU A 58 -21.343 -14.801 -0.327 1.00 0.00 C ATOM 910 O GLU A 58 -22.518 -14.449 -0.291 1.00 0.00 O ATOM 911 CB GLU A 58 -19.947 -15.669 1.571 1.00 0.00 C ATOM 912 CG GLU A 58 -19.653 -16.821 2.515 1.00 0.00 C ATOM 913 CD GLU A 58 -20.918 -17.450 3.060 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.812 -16.701 3.512 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.032 -18.692 3.035 1.00 0.00 O ATOM 0 H GLU A 58 -19.198 -17.054 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.748 -16.554 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.008 -15.294 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.398 -14.853 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.069 -17.578 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.041 -16.463 3.343 1.00 0.00 H new ATOM 922 N LEU A 59 -20.424 -14.156 -1.033 1.00 0.00 N ATOM 923 CA LEU A 59 -20.741 -12.952 -1.802 1.00 0.00 C ATOM 924 C LEU A 59 -21.773 -13.247 -2.891 1.00 0.00 C ATOM 925 O LEU A 59 -22.424 -12.339 -3.412 1.00 0.00 O ATOM 926 CB LEU A 59 -19.463 -12.375 -2.417 1.00 0.00 C ATOM 927 CG LEU A 59 -18.709 -11.351 -1.550 1.00 0.00 C ATOM 928 CD1 LEU A 59 -18.760 -11.726 -0.080 1.00 0.00 C ATOM 929 CD2 LEU A 59 -17.262 -11.245 -1.993 1.00 0.00 C ATOM 0 H LEU A 59 -19.448 -14.445 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 59 -21.174 -12.216 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.787 -13.199 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.719 -11.902 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 59 -19.201 -10.387 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.218 -10.982 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.798 -11.761 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -18.301 -12.704 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.743 -10.517 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.779 -12.217 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -17.223 -10.925 -3.034 1.00 0.00 H new ATOM 941 N ASP A 60 -21.920 -14.524 -3.209 1.00 0.00 N ATOM 942 CA ASP A 60 -22.895 -14.992 -4.186 1.00 0.00 C ATOM 943 C ASP A 60 -24.318 -14.842 -3.647 1.00 0.00 C ATOM 944 O ASP A 60 -25.281 -14.770 -4.415 1.00 0.00 O ATOM 945 CB ASP A 60 -22.607 -16.457 -4.526 1.00 0.00 C ATOM 946 CG ASP A 60 -23.511 -17.013 -5.604 1.00 0.00 C ATOM 947 OD1 ASP A 60 -23.188 -16.857 -6.799 1.00 0.00 O ATOM 948 OD2 ASP A 60 -24.537 -17.634 -5.266 1.00 0.00 O ATOM 0 H ASP A 60 -21.363 -15.271 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.812 -14.386 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.570 -16.550 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.716 -17.060 -3.624 1.00 0.00 H new ATOM 953 N LYS A 61 -24.441 -14.791 -2.322 1.00 0.00 N ATOM 954 CA LYS A 61 -25.735 -14.601 -1.672 1.00 0.00 C ATOM 955 C LYS A 61 -26.125 -13.131 -1.692 1.00 0.00 C ATOM 956 O LYS A 61 -27.306 -12.780 -1.717 1.00 0.00 O ATOM 957 CB LYS A 61 -25.677 -15.050 -0.209 1.00 0.00 C ATOM 958 CG LYS A 61 -25.142 -16.455 0.011 1.00 0.00 C ATOM 959 CD LYS A 61 -24.911 -16.707 1.492 1.00 0.00 C ATOM 960 CE LYS A 61 -24.347 -18.092 1.756 1.00 0.00 C ATOM 961 NZ LYS A 61 -23.980 -18.267 3.187 1.00 0.00 N ATOM 0 H LYS A 61 -23.657 -14.879 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.467 -15.197 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -25.054 -14.349 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.680 -14.989 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.848 -17.186 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.209 -16.586 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.225 -15.956 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.852 -16.591 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -25.082 -18.845 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.468 -18.253 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -23.490 -19.176 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.352 -17.492 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -24.841 -18.255 3.770 1.00 0.00 H new ATOM 975 N CYS A 62 -25.120 -12.276 -1.676 1.00 0.00 N ATOM 976 CA CYS A 62 -25.333 -10.852 -1.513 1.00 0.00 C ATOM 977 C CYS A 62 -25.594 -10.168 -2.850 1.00 0.00 C ATOM 978 O CYS A 62 -24.664 -9.774 -3.555 1.00 0.00 O ATOM 979 CB CYS A 62 -24.128 -10.231 -0.808 1.00 0.00 C ATOM 980 SG CYS A 62 -23.792 -10.945 0.834 1.00 0.00 S ATOM 0 H CYS A 62 -24.141 -12.546 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.221 -10.704 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.246 -10.357 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.293 -9.159 -0.701 1.00 0.00 H new ATOM 985 N ASN A 63 -26.872 -10.027 -3.179 1.00 0.00 N ATOM 986 CA ASN A 63 -27.296 -9.397 -4.420 1.00 0.00 C ATOM 987 C ASN A 63 -28.412 -8.399 -4.144 1.00 0.00 C ATOM 988 O ASN A 63 -29.578 -8.783 -4.020 1.00 0.00 O ATOM 989 CB ASN A 63 -27.804 -10.446 -5.419 1.00 0.00 C ATOM 990 CG ASN A 63 -26.718 -11.368 -5.939 1.00 0.00 C ATOM 991 OD1 ASN A 63 -25.573 -10.963 -6.139 1.00 0.00 O ATOM 992 ND2 ASN A 63 -27.075 -12.625 -6.157 1.00 0.00 N ATOM 0 H ASN A 63 -27.643 -10.347 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 63 -26.435 -8.883 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -28.579 -11.045 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -28.270 -9.936 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -26.390 -13.297 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -28.035 -12.921 -5.979 1.00 0.00 H new ATOM 999 N GLY A 64 -28.065 -7.128 -4.008 1.00 0.00 N ATOM 1000 CA GLY A 64 -29.093 -6.117 -3.869 1.00 0.00 C ATOM 1001 C GLY A 64 -28.698 -4.937 -3.003 1.00 0.00 C ATOM 1002 O GLY A 64 -27.570 -4.452 -3.070 1.00 0.00 O ATOM 0 H GLY A 64 -27.106 -6.782 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.362 -5.751 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -29.985 -6.579 -3.447 1.00 0.00 H new ATOM 1006 N ASN A 65 -29.645 -4.501 -2.175 1.00 0.00 N ATOM 1007 CA ASN A 65 -29.534 -3.259 -1.407 1.00 0.00 C ATOM 1008 C ASN A 65 -28.356 -3.257 -0.426 1.00 0.00 C ATOM 1009 O ASN A 65 -27.273 -2.776 -0.754 1.00 0.00 O ATOM 1010 CB ASN A 65 -30.866 -2.968 -0.687 1.00 0.00 C ATOM 1011 CG ASN A 65 -31.472 -4.197 -0.019 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -32.069 -5.045 -0.682 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -31.361 -4.283 1.297 1.00 0.00 N ATOM 0 H ASN A 65 -30.519 -5.003 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 65 -29.326 -2.458 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -30.703 -2.197 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -31.579 -2.565 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -31.778 -5.071 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -30.859 -3.562 1.815 1.00 0.00 H new ATOM 1020 N ASP A 66 -28.558 -3.809 0.763 1.00 0.00 N ATOM 1021 CA ASP A 66 -27.545 -3.760 1.822 1.00 0.00 C ATOM 1022 C ASP A 66 -26.506 -4.856 1.635 1.00 0.00 C ATOM 1023 O ASP A 66 -25.706 -5.132 2.527 1.00 0.00 O ATOM 1024 CB ASP A 66 -28.201 -3.894 3.202 1.00 0.00 C ATOM 1025 CG ASP A 66 -29.097 -2.720 3.541 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -30.251 -2.696 3.073 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -28.656 -1.820 4.288 1.00 0.00 O ATOM 0 H ASP A 66 -29.414 -4.298 1.024 1.00 0.00 H new ATOM 0 HA ASP A 66 -27.044 -2.794 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -28.786 -4.813 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -27.424 -3.984 3.962 1.00 0.00 H new ATOM 1032 N ALA A 67 -26.503 -5.449 0.453 1.00 0.00 N ATOM 1033 CA ALA A 67 -25.625 -6.563 0.152 1.00 0.00 C ATOM 1034 C ALA A 67 -24.172 -6.121 0.161 1.00 0.00 C ATOM 1035 O ALA A 67 -23.326 -6.741 0.802 1.00 0.00 O ATOM 1036 CB ALA A 67 -25.986 -7.151 -1.200 1.00 0.00 C ATOM 0 H ALA A 67 -27.107 -5.172 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.754 -7.325 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -25.323 -7.988 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -27.018 -7.501 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -25.876 -6.387 -1.970 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.899 -5.031 -0.538 1.00 0.00 N ATOM 1043 CA ASP A 68 -22.540 -4.537 -0.701 1.00 0.00 C ATOM 1044 C ASP A 68 -21.961 -4.036 0.612 1.00 0.00 C ATOM 1045 O ASP A 68 -20.742 -4.010 0.802 1.00 0.00 O ATOM 1046 CB ASP A 68 -22.509 -3.436 -1.753 1.00 0.00 C ATOM 1047 CG ASP A 68 -22.801 -3.975 -3.136 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -21.850 -4.405 -3.825 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -23.982 -4.009 -3.528 1.00 0.00 O ATOM 0 H ASP A 68 -24.608 -4.466 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.919 -5.369 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -23.241 -2.669 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.530 -2.956 -1.749 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.833 -3.661 1.528 1.00 0.00 N ATOM 1055 CA GLN A 69 -22.390 -3.201 2.827 1.00 0.00 C ATOM 1056 C GLN A 69 -21.912 -4.388 3.650 1.00 0.00 C ATOM 1057 O GLN A 69 -20.876 -4.321 4.311 1.00 0.00 O ATOM 1058 CB GLN A 69 -23.510 -2.461 3.557 1.00 0.00 C ATOM 1059 CG GLN A 69 -22.996 -1.562 4.668 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.081 -0.475 4.136 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -22.528 0.621 3.808 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -20.796 -0.777 4.026 1.00 0.00 N ATOM 0 H GLN A 69 -23.845 -3.666 1.397 1.00 0.00 H new ATOM 0 HA GLN A 69 -21.565 -2.502 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -24.070 -1.861 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -24.206 -3.188 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -23.840 -1.106 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.459 -2.162 5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.463 -1.698 4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.140 -0.088 3.658 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.663 -5.483 3.579 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.292 -6.711 4.267 1.00 0.00 C ATOM 1073 C GLN A 70 -21.025 -7.299 3.655 1.00 0.00 C ATOM 1074 O GLN A 70 -20.207 -7.881 4.358 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.431 -7.727 4.200 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.757 -7.183 4.708 1.00 0.00 C ATOM 1077 CD GLN A 70 -24.691 -6.730 6.152 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.364 -5.578 6.438 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.014 -7.626 7.070 1.00 0.00 N ATOM 0 H GLN A 70 -23.533 -5.543 3.050 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.099 -6.475 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.553 -8.057 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.159 -8.605 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.064 -6.345 4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.522 -7.952 4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.279 -8.570 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.998 -7.373 8.058 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.867 -7.133 2.339 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.637 -7.542 1.656 1.00 0.00 C ATOM 1090 C LYS A 71 -18.438 -6.837 2.283 1.00 0.00 C ATOM 1091 O LYS A 71 -17.370 -7.422 2.457 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.692 -7.193 0.162 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.830 -7.852 -0.600 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.883 -7.359 -2.040 1.00 0.00 C ATOM 1095 CE LYS A 71 -22.167 -7.781 -2.740 1.00 0.00 C ATOM 1096 NZ LYS A 71 -22.321 -7.123 -4.063 1.00 0.00 N ATOM 0 H LYS A 71 -21.572 -6.720 1.728 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.537 -8.622 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.781 -6.112 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.748 -7.481 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.702 -8.934 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.776 -7.637 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.803 -6.272 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -20.026 -7.749 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.170 -8.863 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -23.022 -7.534 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -23.322 -7.140 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.995 -6.137 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.754 -7.631 -4.771 1.00 0.00 H new ATOM 1110 N THR A 72 -18.642 -5.575 2.635 1.00 0.00 N ATOM 1111 CA THR A 72 -17.599 -4.764 3.240 1.00 0.00 C ATOM 1112 C THR A 72 -17.298 -5.231 4.665 1.00 0.00 C ATOM 1113 O THR A 72 -16.138 -5.331 5.062 1.00 0.00 O ATOM 1114 CB THR A 72 -18.007 -3.279 3.247 1.00 0.00 C ATOM 1115 OG1 THR A 72 -18.338 -2.861 1.913 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.887 -2.406 3.789 1.00 0.00 C ATOM 0 H THR A 72 -19.530 -5.089 2.510 1.00 0.00 H new ATOM 0 HA THR A 72 -16.695 -4.880 2.642 1.00 0.00 H new ATOM 0 HB THR A 72 -18.876 -3.168 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.164 -3.304 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.203 -1.363 3.782 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.652 -2.707 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.001 -2.521 3.164 1.00 0.00 H new ATOM 1124 N THR A 73 -18.346 -5.533 5.421 1.00 0.00 N ATOM 1125 CA THR A 73 -18.191 -6.031 6.784 1.00 0.00 C ATOM 1126 C THR A 73 -17.578 -7.434 6.788 1.00 0.00 C ATOM 1127 O THR A 73 -16.863 -7.817 7.718 1.00 0.00 O ATOM 1128 CB THR A 73 -19.554 -6.056 7.502 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.169 -4.766 7.401 1.00 0.00 O ATOM 1130 CG2 THR A 73 -19.401 -6.426 8.967 1.00 0.00 C ATOM 0 H THR A 73 -19.314 -5.442 5.114 1.00 0.00 H new ATOM 0 HA THR A 73 -17.518 -5.357 7.314 1.00 0.00 H new ATOM 0 HB THR A 73 -20.177 -6.810 7.022 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.502 -4.633 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.381 -6.435 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.950 -7.415 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.763 -5.694 9.462 1.00 0.00 H new ATOM 1138 N PHE A 74 -17.844 -8.176 5.721 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.366 -9.545 5.567 1.00 0.00 C ATOM 1140 C PHE A 74 -15.839 -9.594 5.547 1.00 0.00 C ATOM 1141 O PHE A 74 -15.236 -10.606 5.903 1.00 0.00 O ATOM 1142 CB PHE A 74 -17.944 -10.134 4.279 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.672 -11.597 4.068 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.150 -12.039 2.866 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.956 -12.529 5.055 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -16.918 -13.380 2.646 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.719 -13.875 4.841 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.201 -14.299 3.631 1.00 0.00 C ATOM 0 H PHE A 74 -18.400 -7.844 4.933 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.700 -10.138 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.023 -9.977 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.541 -9.580 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -16.921 -11.324 2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -18.366 -12.201 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -16.514 -13.710 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -17.938 -14.593 5.617 1.00 0.00 H new ATOM 0 HZ PHE A 74 -17.019 -15.350 3.459 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.224 -8.486 5.145 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.774 -8.358 5.150 1.00 0.00 C ATOM 1160 C LYS A 75 -13.216 -8.594 6.550 1.00 0.00 C ATOM 1161 O LYS A 75 -12.157 -9.199 6.721 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.381 -6.965 4.666 1.00 0.00 C ATOM 1163 CG LYS A 75 -13.740 -6.698 3.215 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.477 -5.253 2.831 1.00 0.00 C ATOM 1165 CE LYS A 75 -13.677 -5.027 1.343 1.00 0.00 C ATOM 1166 NZ LYS A 75 -13.458 -3.607 0.963 1.00 0.00 N ATOM 0 H LYS A 75 -15.715 -7.657 4.809 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.356 -9.110 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.870 -6.221 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.306 -6.835 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.161 -7.358 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.792 -6.933 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.144 -4.599 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.458 -4.982 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.990 -5.662 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.687 -5.326 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.604 -3.495 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.130 -3.002 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.486 -3.328 1.206 1.00 0.00 H new ATOM 1180 N GLN A 76 -13.954 -8.130 7.548 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.545 -8.245 8.927 1.00 0.00 C ATOM 1182 C GLN A 76 -13.807 -9.652 9.451 1.00 0.00 C ATOM 1183 O GLN A 76 -13.082 -10.149 10.315 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.294 -7.208 9.752 1.00 0.00 C ATOM 1185 CG GLN A 76 -13.843 -5.780 9.479 1.00 0.00 C ATOM 1186 CD GLN A 76 -14.693 -4.743 10.186 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -14.207 -3.678 10.563 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -15.970 -5.040 10.358 1.00 0.00 N ATOM 0 H GLN A 76 -14.852 -7.664 7.417 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.473 -8.062 9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.361 -7.290 9.544 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.157 -7.429 10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.806 -5.667 9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.873 -5.595 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.334 -5.935 10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.591 -4.374 10.818 1.00 0.00 H new ATOM 1197 N THR A 77 -14.837 -10.296 8.913 1.00 0.00 N ATOM 1198 CA THR A 77 -15.143 -11.675 9.261 1.00 0.00 C ATOM 1199 C THR A 77 -14.019 -12.595 8.802 1.00 0.00 C ATOM 1200 O THR A 77 -13.589 -13.486 9.536 1.00 0.00 O ATOM 1201 CB THR A 77 -16.460 -12.135 8.616 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.494 -11.178 8.884 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.871 -13.502 9.154 1.00 0.00 C ATOM 0 H THR A 77 -15.474 -9.882 8.233 1.00 0.00 H new ATOM 0 HA THR A 77 -15.246 -11.725 10.345 1.00 0.00 H new ATOM 0 HB THR A 77 -16.310 -12.214 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.331 -11.475 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.806 -13.811 8.686 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.093 -14.231 8.927 1.00 0.00 H new ATOM 0 HG23 THR A 77 -17.008 -13.442 10.234 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.539 -12.358 7.584 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.437 -13.129 7.029 1.00 0.00 C ATOM 1213 C VAL A 78 -11.187 -12.972 7.899 1.00 0.00 C ATOM 1214 O VAL A 78 -10.472 -13.941 8.158 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.137 -12.701 5.577 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -10.913 -13.423 5.037 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.343 -12.968 4.687 1.00 0.00 C ATOM 0 H VAL A 78 -13.900 -11.634 6.962 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.729 -14.179 7.019 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.928 -11.631 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.724 -13.103 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.048 -13.186 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.088 -14.499 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.117 -12.661 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.578 -14.032 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.199 -12.402 5.055 1.00 0.00 H new ATOM 1227 N GLN A 79 -10.961 -11.752 8.378 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.856 -11.467 9.284 1.00 0.00 C ATOM 1229 C GLN A 79 -9.950 -12.303 10.558 1.00 0.00 C ATOM 1230 O GLN A 79 -8.936 -12.750 11.100 1.00 0.00 O ATOM 1231 CB GLN A 79 -9.849 -9.979 9.639 1.00 0.00 C ATOM 1232 CG GLN A 79 -9.082 -9.112 8.657 1.00 0.00 C ATOM 1233 CD GLN A 79 -7.582 -9.255 8.812 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -7.080 -10.300 9.228 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -6.856 -8.202 8.491 1.00 0.00 N ATOM 0 H GLN A 79 -11.535 -10.940 8.151 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.927 -11.728 8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.878 -9.624 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.416 -9.855 10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.367 -9.380 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.362 -8.069 8.802 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.310 -7.355 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.841 -8.235 8.584 1.00 0.00 H new ATOM 1244 N GLY A 80 -11.172 -12.519 11.028 1.00 0.00 N ATOM 1245 CA GLY A 80 -11.381 -13.283 12.243 1.00 0.00 C ATOM 1246 C GLY A 80 -11.418 -14.780 11.992 1.00 0.00 C ATOM 1247 O GLY A 80 -11.301 -15.575 12.925 1.00 0.00 O ATOM 0 H GLY A 80 -12.026 -12.177 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.584 -13.057 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.318 -12.973 12.706 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.574 -15.164 10.735 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.654 -16.571 10.373 1.00 0.00 C ATOM 1253 C ALA A 81 -10.282 -17.123 9.998 1.00 0.00 C ATOM 1254 O ALA A 81 -10.049 -18.328 10.054 1.00 0.00 O ATOM 1255 CB ALA A 81 -12.641 -16.765 9.234 1.00 0.00 C ATOM 0 H ALA A 81 -11.648 -14.520 9.947 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.008 -17.126 11.241 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.692 -17.822 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.627 -16.420 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.313 -16.192 8.367 1.00 0.00 H new ATOM 1261 N LEU A 82 -9.382 -16.232 9.610 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.015 -16.611 9.273 1.00 0.00 C ATOM 1263 C LEU A 82 -7.057 -16.168 10.372 1.00 0.00 C ATOM 1264 O LEU A 82 -5.870 -15.968 10.129 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.600 -15.978 7.944 1.00 0.00 C ATOM 1266 CG LEU A 82 -8.358 -16.479 6.713 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.912 -15.726 5.469 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.147 -17.977 6.533 1.00 0.00 C ATOM 0 H LEU A 82 -9.574 -15.234 9.520 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.973 -17.696 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.734 -14.899 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.536 -16.158 7.792 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.422 -16.295 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.462 -16.096 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.110 -14.662 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.844 -15.880 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.693 -18.318 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.084 -18.182 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.513 -18.504 7.414 1.00 0.00 H new ATOM 1280 N SER A 83 -7.589 -16.039 11.583 1.00 0.00 N ATOM 1281 CA SER A 83 -6.811 -15.593 12.733 1.00 0.00 C ATOM 1282 C SER A 83 -5.585 -16.474 12.951 1.00 0.00 C ATOM 1283 O SER A 83 -4.488 -15.974 13.210 1.00 0.00 O ATOM 1284 CB SER A 83 -7.686 -15.601 13.987 1.00 0.00 C ATOM 1285 OG SER A 83 -8.841 -14.802 13.806 1.00 0.00 O ATOM 0 H SER A 83 -8.567 -16.240 11.794 1.00 0.00 H new ATOM 0 HA SER A 83 -6.466 -14.578 12.534 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.980 -16.624 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.113 -15.230 14.837 1.00 0.00 H new ATOM 0 HG SER A 83 -9.614 -15.379 13.631 1.00 0.00 H new ATOM 1291 N GLY A 84 -5.769 -17.781 12.843 1.00 0.00 N ATOM 1292 CA GLY A 84 -4.666 -18.693 13.054 1.00 0.00 C ATOM 1293 C GLY A 84 -4.867 -20.025 12.373 1.00 0.00 C ATOM 1294 O GLY A 84 -4.497 -21.065 12.916 1.00 0.00 O ATOM 0 H GLY A 84 -6.659 -18.224 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.748 -18.236 12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.534 -18.854 14.124 1.00 0.00 H new ATOM 1298 N GLY A 85 -5.456 -20.006 11.187 1.00 0.00 N ATOM 1299 CA GLY A 85 -5.650 -21.235 10.451 1.00 0.00 C ATOM 1300 C GLY A 85 -6.552 -21.067 9.249 1.00 0.00 C ATOM 1301 O GLY A 85 -7.644 -20.512 9.353 1.00 0.00 O ATOM 0 H GLY A 85 -5.801 -19.165 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.682 -21.612 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.076 -21.987 11.116 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.094 -21.561 8.109 1.00 0.00 N ATOM 1306 CA ILE A 86 -6.850 -21.464 6.869 1.00 0.00 C ATOM 1307 C ILE A 86 -7.664 -22.736 6.625 1.00 0.00 C ATOM 1308 O ILE A 86 -8.624 -22.740 5.857 1.00 0.00 O ATOM 1309 CB ILE A 86 -5.905 -21.221 5.676 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -6.702 -20.859 4.421 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.044 -22.452 5.424 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.837 -20.583 3.215 1.00 0.00 C ATOM 0 H ILE A 86 -5.196 -22.036 8.017 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.534 -20.620 6.962 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.252 -20.383 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.387 -21.674 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.312 -19.980 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.382 -22.266 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.448 -22.667 6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.685 -23.305 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.469 -20.333 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.170 -19.748 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.246 -21.468 2.981 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.289 -23.809 7.313 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.922 -25.112 7.120 1.00 0.00 C ATOM 1326 C ASP A 87 -9.275 -25.155 7.827 1.00 0.00 C ATOM 1327 O ASP A 87 -10.097 -26.041 7.585 1.00 0.00 O ATOM 1328 CB ASP A 87 -6.997 -26.218 7.639 1.00 0.00 C ATOM 1329 CG ASP A 87 -7.562 -27.614 7.454 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -7.606 -28.099 6.302 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -7.929 -28.248 8.467 1.00 0.00 O ATOM 0 H ASP A 87 -6.547 -23.803 8.013 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.094 -25.273 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.039 -26.151 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.802 -26.051 8.698 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.503 -24.180 8.697 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.777 -24.073 9.380 1.00 0.00 C ATOM 1338 C GLY A 88 -11.616 -22.938 8.835 1.00 0.00 C ATOM 1339 O GLY A 88 -12.595 -22.519 9.456 1.00 0.00 O ATOM 0 H GLY A 88 -8.825 -23.458 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.324 -25.010 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.606 -23.919 10.445 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.232 -22.426 7.673 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.971 -21.349 7.042 1.00 0.00 C ATOM 1345 C PHE A 89 -13.166 -21.911 6.288 1.00 0.00 C ATOM 1346 O PHE A 89 -13.014 -22.584 5.266 1.00 0.00 O ATOM 1347 CB PHE A 89 -11.070 -20.555 6.097 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.711 -19.313 5.541 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.352 -19.334 4.311 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.672 -18.123 6.250 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -12.942 -18.191 3.803 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.259 -16.980 5.745 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.896 -17.013 4.521 1.00 0.00 C ATOM 0 H PHE A 89 -10.414 -22.741 7.152 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.329 -20.672 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.160 -20.275 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.771 -21.199 5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.391 -20.252 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.177 -18.089 7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.439 -18.220 2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.220 -16.059 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.357 -16.120 4.126 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.348 -21.646 6.809 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.553 -22.153 6.198 1.00 0.00 C ATOM 1365 C GLY A 90 -16.798 -21.465 6.714 1.00 0.00 C ATOM 1366 O GLY A 90 -16.713 -20.403 7.338 1.00 0.00 O ATOM 0 H GLY A 90 -14.496 -21.086 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.491 -22.023 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.629 -23.224 6.386 1.00 0.00 H new ATOM 1370 N SER A 91 -17.945 -22.095 6.490 1.00 0.00 N ATOM 1371 CA SER A 91 -19.240 -21.510 6.822 1.00 0.00 C ATOM 1372 C SER A 91 -19.511 -21.547 8.325 1.00 0.00 C ATOM 1373 O SER A 91 -20.573 -21.129 8.789 1.00 0.00 O ATOM 1374 CB SER A 91 -20.336 -22.253 6.056 1.00 0.00 C ATOM 1375 OG SER A 91 -20.061 -23.644 6.017 1.00 0.00 O ATOM 0 H SER A 91 -18.005 -23.024 6.074 1.00 0.00 H new ATOM 0 HA SER A 91 -19.233 -20.461 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.301 -22.081 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.407 -21.862 5.041 1.00 0.00 H new ATOM 0 HG SER A 91 -20.773 -24.104 5.525 1.00 0.00 H new ATOM 1381 N ASN A 92 -18.545 -22.045 9.083 1.00 0.00 N ATOM 1382 CA ASN A 92 -18.643 -22.065 10.532 1.00 0.00 C ATOM 1383 C ASN A 92 -18.369 -20.664 11.068 1.00 0.00 C ATOM 1384 O ASN A 92 -19.025 -20.192 11.999 1.00 0.00 O ATOM 1385 CB ASN A 92 -17.635 -23.067 11.116 1.00 0.00 C ATOM 1386 CG ASN A 92 -17.870 -23.367 12.589 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -18.425 -22.558 13.326 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -17.428 -24.533 13.033 1.00 0.00 N ATOM 0 H ASN A 92 -17.681 -22.442 8.715 1.00 0.00 H new ATOM 0 HA ASN A 92 -19.645 -22.376 10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.688 -23.997 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.627 -22.673 10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.544 -24.782 14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.971 -25.182 12.393 1.00 0.00 H new ATOM 1395 N ASN A 93 -17.417 -19.986 10.438 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.993 -18.670 10.892 1.00 0.00 C ATOM 1397 C ASN A 93 -17.455 -17.595 9.924 1.00 0.00 C ATOM 1398 O ASN A 93 -18.238 -16.710 10.274 1.00 0.00 O ATOM 1399 CB ASN A 93 -15.466 -18.582 11.001 1.00 0.00 C ATOM 1400 CG ASN A 93 -14.830 -19.729 11.756 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -15.425 -20.315 12.659 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -13.602 -20.049 11.382 1.00 0.00 N ATOM 0 H ASN A 93 -16.925 -20.327 9.612 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.440 -18.515 11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.043 -18.544 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -15.202 -17.646 11.494 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.109 -20.810 11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.148 -19.534 10.627 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.969 -17.694 8.694 1.00 0.00 N ATOM 1410 CA ALA A 94 -17.163 -16.647 7.708 1.00 0.00 C ATOM 1411 C ALA A 94 -18.436 -16.863 6.913 1.00 0.00 C ATOM 1412 O ALA A 94 -18.512 -17.759 6.075 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.957 -16.571 6.782 1.00 0.00 C ATOM 0 H ALA A 94 -16.435 -18.495 8.357 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.264 -15.699 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.113 -15.782 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.063 -16.351 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.830 -17.525 6.270 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.434 -16.044 7.191 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.684 -16.074 6.453 1.00 0.00 C ATOM 1421 C VAL A 95 -21.163 -14.667 6.160 1.00 0.00 C ATOM 1422 O VAL A 95 -21.033 -13.768 6.992 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.801 -16.831 7.201 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.605 -18.334 7.083 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.848 -16.418 8.664 1.00 0.00 C ATOM 0 H VAL A 95 -19.402 -15.343 7.931 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.476 -16.606 5.525 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.753 -16.569 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.404 -18.848 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.628 -18.622 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.643 -18.610 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.643 -16.965 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.893 -16.645 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -22.042 -15.348 8.734 1.00 0.00 H new ATOM 1435 N THR A 96 -21.683 -14.474 4.968 1.00 0.00 N ATOM 1436 CA THR A 96 -22.288 -13.211 4.610 1.00 0.00 C ATOM 1437 C THR A 96 -23.673 -13.080 5.223 1.00 0.00 C ATOM 1438 O THR A 96 -24.626 -13.729 4.788 1.00 0.00 O ATOM 1439 CB THR A 96 -22.392 -13.044 3.090 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.738 -14.296 2.481 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.091 -12.515 2.512 1.00 0.00 C ATOM 0 H THR A 96 -21.699 -15.177 4.229 1.00 0.00 H new ATOM 0 HA THR A 96 -21.641 -12.427 5.004 1.00 0.00 H new ATOM 0 HB THR A 96 -23.176 -12.317 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.763 -14.190 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.191 -12.405 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.863 -11.546 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.284 -13.214 2.733 1.00 0.00 H new ATOM 1449 N THR A 97 -23.769 -12.256 6.251 1.00 0.00 N ATOM 1450 CA THR A 97 -25.038 -11.950 6.890 1.00 0.00 C ATOM 1451 C THR A 97 -25.920 -11.055 6.010 1.00 0.00 C ATOM 1452 O THR A 97 -26.456 -10.043 6.465 1.00 0.00 O ATOM 1453 CB THR A 97 -24.800 -11.279 8.257 1.00 0.00 C ATOM 1454 OG1 THR A 97 -23.685 -10.380 8.173 1.00 0.00 O ATOM 1455 CG2 THR A 97 -24.538 -12.326 9.329 1.00 0.00 C ATOM 0 H THR A 97 -22.969 -11.779 6.667 1.00 0.00 H new ATOM 0 HA THR A 97 -25.566 -12.892 7.037 1.00 0.00 H new ATOM 0 HB THR A 97 -25.695 -10.719 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 97 -23.540 -9.956 9.045 1.00 0.00 H new ATOM 0 HG21 THR A 97 -24.372 -11.833 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 97 -25.399 -12.990 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 97 -23.655 -12.907 9.062 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.071 -11.442 4.751 1.00 0.00 N ATOM 1464 CA CYS A 98 -26.947 -10.740 3.832 1.00 0.00 C ATOM 1465 C CYS A 98 -28.352 -11.323 3.920 1.00 0.00 C ATOM 1466 O CYS A 98 -28.651 -12.347 3.305 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.410 -10.826 2.397 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.913 -9.826 2.102 1.00 0.00 S ATOM 0 H CYS A 98 -25.593 -12.245 4.343 1.00 0.00 H new ATOM 0 HA CYS A 98 -26.983 -9.687 4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.190 -11.868 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.191 -10.504 1.708 1.00 0.00 H new