USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 46 CYS SG : rot 158:sc= -0.184 USER MOD Set 1.2: A 48 THR OG1 : rot 63:sc= 0.625 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.0317 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 150:sc= 0.52 (180deg=0.0779) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0724) USER MOD Single : A 18 HIS : no HD1:sc= -0.99 X(o=-0.99,f=-0.9) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.97) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.9!) USER MOD Single : A 45 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.82) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.51 F(o=-1.6!,f=0.51) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0.00141 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -3.77! C(o=-3.8!,f=-6.5!) USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= 0.00114 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -110:sc= -0.0165 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= -0.189 (180deg=-0.849) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.677 17.512 -9.276 1.00 0.00 N ATOM 67 CA LEU A 8 -9.786 16.379 -9.052 1.00 0.00 C ATOM 68 C LEU A 8 -9.848 15.915 -7.601 1.00 0.00 C ATOM 69 O LEU A 8 -10.227 14.779 -7.318 1.00 0.00 O ATOM 70 CB LEU A 8 -8.349 16.755 -9.418 1.00 0.00 C ATOM 71 CG LEU A 8 -7.451 15.606 -9.879 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.425 14.499 -8.837 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.921 15.067 -11.222 1.00 0.00 C ATOM 0 HA LEU A 8 -10.115 15.559 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.381 17.504 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.886 17.226 -8.551 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.437 15.988 -9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.781 13.690 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.040 14.893 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.435 14.119 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.270 14.250 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.944 14.701 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.886 15.863 -11.966 1.00 0.00 H new ATOM 85 N ALA A 9 -9.476 16.803 -6.685 1.00 0.00 N ATOM 86 CA ALA A 9 -9.494 16.486 -5.262 1.00 0.00 C ATOM 87 C ALA A 9 -10.743 15.693 -4.892 1.00 0.00 C ATOM 88 O ALA A 9 -10.651 14.597 -4.340 1.00 0.00 O ATOM 89 CB ALA A 9 -9.412 17.761 -4.436 1.00 0.00 C ATOM 0 H ALA A 9 -9.159 17.748 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.624 15.867 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.426 17.509 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.487 18.288 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.263 18.401 -4.669 1.00 0.00 H new ATOM 95 N GLU A 10 -11.907 16.255 -5.198 1.00 0.00 N ATOM 96 CA GLU A 10 -13.174 15.600 -4.895 1.00 0.00 C ATOM 97 C GLU A 10 -13.062 14.089 -5.077 1.00 0.00 C ATOM 98 O GLU A 10 -13.401 13.317 -4.179 1.00 0.00 O ATOM 99 CB GLU A 10 -14.286 16.151 -5.790 1.00 0.00 C ATOM 100 CG GLU A 10 -13.860 16.355 -7.234 1.00 0.00 C ATOM 101 CD GLU A 10 -14.887 17.123 -8.043 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.330 18.193 -7.575 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.248 16.655 -9.143 1.00 0.00 O ATOM 0 H GLU A 10 -12.000 17.162 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.420 15.807 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.135 15.467 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.630 17.102 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.911 16.891 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.689 15.384 -7.699 1.00 0.00 H new ATOM 110 N LEU A 11 -12.586 13.673 -6.245 1.00 0.00 N ATOM 111 CA LEU A 11 -12.429 12.255 -6.546 1.00 0.00 C ATOM 112 C LEU A 11 -11.430 11.603 -5.595 1.00 0.00 C ATOM 113 O LEU A 11 -11.732 10.594 -4.957 1.00 0.00 O ATOM 114 CB LEU A 11 -11.968 12.068 -7.993 1.00 0.00 C ATOM 115 CG LEU A 11 -13.070 12.062 -9.053 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.050 10.928 -8.797 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.795 13.400 -9.077 1.00 0.00 C ATOM 0 H LEU A 11 -12.302 14.298 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.397 11.772 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.264 12.864 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.422 11.127 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.609 11.904 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.827 10.939 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.521 9.975 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.505 11.055 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.576 13.377 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.244 13.588 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.085 14.194 -9.309 1.00 0.00 H new ATOM 129 N PHE A 12 -10.241 12.188 -5.503 1.00 0.00 N ATOM 130 CA PHE A 12 -9.198 11.665 -4.628 1.00 0.00 C ATOM 131 C PHE A 12 -9.771 11.281 -3.267 1.00 0.00 C ATOM 132 O PHE A 12 -9.328 10.316 -2.645 1.00 0.00 O ATOM 133 CB PHE A 12 -8.084 12.699 -4.451 1.00 0.00 C ATOM 134 CG PHE A 12 -7.050 12.300 -3.438 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.124 11.311 -3.727 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.004 12.913 -2.197 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.170 10.941 -2.797 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.053 12.548 -1.263 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.136 11.560 -1.563 1.00 0.00 C ATOM 0 H PHE A 12 -9.975 13.024 -6.023 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.784 10.771 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.595 12.863 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.526 13.649 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.148 10.823 -4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.720 13.685 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.453 10.169 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.027 13.035 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.393 11.272 -0.834 1.00 0.00 H new ATOM 149 N GLU A 13 -10.759 12.045 -2.811 1.00 0.00 N ATOM 150 CA GLU A 13 -11.392 11.785 -1.523 1.00 0.00 C ATOM 151 C GLU A 13 -12.243 10.520 -1.580 1.00 0.00 C ATOM 152 O GLU A 13 -12.192 9.682 -0.679 1.00 0.00 O ATOM 153 CB GLU A 13 -12.258 12.977 -1.106 1.00 0.00 C ATOM 154 CG GLU A 13 -11.531 14.309 -1.174 1.00 0.00 C ATOM 155 CD GLU A 13 -12.082 15.324 -0.190 1.00 0.00 C ATOM 156 OE1 GLU A 13 -13.259 15.713 -0.337 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.336 15.728 0.726 1.00 0.00 O ATOM 0 H GLU A 13 -11.138 12.848 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.605 11.639 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.137 13.019 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.614 12.818 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.471 14.151 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.607 14.710 -2.185 1.00 0.00 H new ATOM 164 N LYS A 14 -13.026 10.388 -2.646 1.00 0.00 N ATOM 165 CA LYS A 14 -13.889 9.226 -2.823 1.00 0.00 C ATOM 166 C LYS A 14 -13.064 7.974 -3.105 1.00 0.00 C ATOM 167 O LYS A 14 -13.186 6.969 -2.406 1.00 0.00 O ATOM 168 CB LYS A 14 -14.876 9.467 -3.967 1.00 0.00 C ATOM 169 CG LYS A 14 -16.103 10.262 -3.554 1.00 0.00 C ATOM 170 CD LYS A 14 -16.793 10.887 -4.755 1.00 0.00 C ATOM 171 CE LYS A 14 -16.175 12.229 -5.117 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.638 13.315 -4.209 1.00 0.00 N ATOM 0 H LYS A 14 -13.080 11.072 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.445 9.073 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.365 9.996 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.195 8.505 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.802 9.609 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.812 11.044 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.724 10.212 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.853 11.020 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.089 12.154 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.432 12.481 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.564 14.231 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.628 13.145 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.045 13.329 -3.354 1.00 0.00 H new ATOM 186 N ALA A 15 -12.224 8.044 -4.132 1.00 0.00 N ATOM 187 CA ALA A 15 -11.376 6.917 -4.504 1.00 0.00 C ATOM 188 C ALA A 15 -10.785 6.245 -3.270 1.00 0.00 C ATOM 189 O ALA A 15 -10.818 5.021 -3.142 1.00 0.00 O ATOM 190 CB ALA A 15 -10.268 7.377 -5.439 1.00 0.00 C ATOM 0 H ALA A 15 -12.112 8.869 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.994 6.184 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.643 6.526 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.707 7.805 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.659 8.130 -4.939 1.00 0.00 H new ATOM 196 N ALA A 16 -10.243 7.053 -2.364 1.00 0.00 N ATOM 197 CA ALA A 16 -9.645 6.535 -1.139 1.00 0.00 C ATOM 198 C ALA A 16 -10.561 5.517 -0.469 1.00 0.00 C ATOM 199 O ALA A 16 -10.130 4.422 -0.110 1.00 0.00 O ATOM 200 CB ALA A 16 -9.330 7.676 -0.183 1.00 0.00 C ATOM 0 H ALA A 16 -10.206 8.068 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.716 6.029 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.884 7.275 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.631 8.365 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.249 8.206 0.066 1.00 0.00 H new ATOM 206 N ALA A 17 -11.827 5.887 -0.301 1.00 0.00 N ATOM 207 CA ALA A 17 -12.804 5.006 0.325 1.00 0.00 C ATOM 208 C ALA A 17 -12.934 3.696 -0.444 1.00 0.00 C ATOM 209 O ALA A 17 -13.090 2.628 0.149 1.00 0.00 O ATOM 210 CB ALA A 17 -14.154 5.699 0.423 1.00 0.00 C ATOM 0 H ALA A 17 -12.199 6.792 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.454 4.773 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.874 5.029 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.056 6.604 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.501 5.962 -0.576 1.00 0.00 H new ATOM 216 N HIS A 18 -12.871 3.784 -1.769 1.00 0.00 N ATOM 217 CA HIS A 18 -12.982 2.605 -2.620 1.00 0.00 C ATOM 218 C HIS A 18 -11.795 1.670 -2.411 1.00 0.00 C ATOM 219 O HIS A 18 -11.922 0.450 -2.532 1.00 0.00 O ATOM 220 CB HIS A 18 -13.069 3.017 -4.090 1.00 0.00 C ATOM 221 CG HIS A 18 -13.863 2.067 -4.933 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.984 1.409 -4.472 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.694 1.667 -6.215 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.469 0.644 -5.434 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.704 0.782 -6.502 1.00 0.00 N ATOM 0 H HIS A 18 -12.744 4.660 -2.276 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.893 2.074 -2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.517 4.009 -4.155 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.061 3.095 -4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.911 1.985 -6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.342 0.013 -5.360 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.841 0.308 -7.395 1.00 0.00 H new ATOM 234 N LEU A 19 -10.641 2.248 -2.097 1.00 0.00 N ATOM 235 CA LEU A 19 -9.430 1.466 -1.872 1.00 0.00 C ATOM 236 C LEU A 19 -9.721 0.251 -0.997 1.00 0.00 C ATOM 237 O LEU A 19 -9.407 -0.880 -1.367 1.00 0.00 O ATOM 238 CB LEU A 19 -8.354 2.334 -1.217 1.00 0.00 C ATOM 239 CG LEU A 19 -6.906 1.970 -1.545 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.955 3.036 -1.024 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.553 0.608 -0.964 1.00 0.00 C ATOM 0 H LEU A 19 -10.518 3.255 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.068 1.116 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.523 3.370 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.484 2.284 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.802 1.919 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.929 2.759 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.192 3.993 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.061 3.121 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.519 0.366 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.675 0.632 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.212 -0.150 -1.387 1.00 0.00 H new ATOM 253 N GLN A 20 -10.324 0.493 0.162 1.00 0.00 N ATOM 254 CA GLN A 20 -10.659 -0.582 1.088 1.00 0.00 C ATOM 255 C GLN A 20 -11.466 -1.671 0.388 1.00 0.00 C ATOM 256 O GLN A 20 -11.422 -2.838 0.777 1.00 0.00 O ATOM 257 CB GLN A 20 -11.447 -0.032 2.278 1.00 0.00 C ATOM 258 CG GLN A 20 -10.698 1.032 3.064 1.00 0.00 C ATOM 259 CD GLN A 20 -9.797 0.444 4.131 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.265 -0.205 5.067 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.495 0.668 3.997 1.00 0.00 N ATOM 0 H GLN A 20 -10.591 1.424 0.482 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.728 -1.020 1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.386 0.388 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.701 -0.855 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.099 1.631 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.416 1.706 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.150 1.211 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.840 0.297 4.685 1.00 0.00 H new ATOM 270 N GLY A 21 -12.205 -1.281 -0.647 1.00 0.00 N ATOM 271 CA GLY A 21 -13.012 -2.236 -1.384 1.00 0.00 C ATOM 272 C GLY A 21 -12.240 -2.906 -2.503 1.00 0.00 C ATOM 273 O GLY A 21 -12.693 -3.900 -3.072 1.00 0.00 O ATOM 0 H GLY A 21 -12.259 -0.321 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.386 -2.997 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.881 -1.727 -1.800 1.00 0.00 H new ATOM 277 N LEU A 22 -11.071 -2.361 -2.822 1.00 0.00 N ATOM 278 CA LEU A 22 -10.234 -2.912 -3.883 1.00 0.00 C ATOM 279 C LEU A 22 -8.982 -3.563 -3.305 1.00 0.00 C ATOM 280 O LEU A 22 -8.014 -3.816 -4.024 1.00 0.00 O ATOM 281 CB LEU A 22 -9.841 -1.812 -4.871 1.00 0.00 C ATOM 282 CG LEU A 22 -10.980 -0.924 -5.374 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.441 0.172 -6.280 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.023 -1.756 -6.104 1.00 0.00 C ATOM 0 H LEU A 22 -10.681 -1.539 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.809 -3.675 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.093 -1.176 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.363 -2.279 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.456 -0.455 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.265 0.794 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.732 0.787 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.939 -0.278 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.826 -1.107 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.560 -2.254 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.432 -2.504 -5.425 1.00 0.00 H new ATOM 296 N ILE A 23 -9.008 -3.835 -2.005 1.00 0.00 N ATOM 297 CA ILE A 23 -7.876 -4.460 -1.333 1.00 0.00 C ATOM 298 C ILE A 23 -7.621 -5.863 -1.875 1.00 0.00 C ATOM 299 O ILE A 23 -6.475 -6.297 -1.985 1.00 0.00 O ATOM 300 CB ILE A 23 -8.101 -4.544 0.189 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.436 -3.162 0.753 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.872 -5.119 0.875 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.278 -2.190 0.697 1.00 0.00 C ATOM 0 H ILE A 23 -9.801 -3.632 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.007 -3.833 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.944 -5.208 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.276 -2.746 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.760 -3.270 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.047 -5.172 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.675 -6.119 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.012 -4.478 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.587 -1.231 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.443 -2.585 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.968 -2.053 -0.339 1.00 0.00 H new ATOM 315 N GLN A 24 -8.698 -6.565 -2.214 1.00 0.00 N ATOM 316 CA GLN A 24 -8.590 -7.918 -2.747 1.00 0.00 C ATOM 317 C GLN A 24 -8.034 -7.901 -4.167 1.00 0.00 C ATOM 318 O GLN A 24 -7.575 -8.923 -4.678 1.00 0.00 O ATOM 319 CB GLN A 24 -9.956 -8.606 -2.729 1.00 0.00 C ATOM 320 CG GLN A 24 -10.652 -8.541 -1.380 1.00 0.00 C ATOM 321 CD GLN A 24 -12.075 -9.061 -1.432 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.337 -10.221 -1.112 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.005 -8.204 -1.836 1.00 0.00 N ATOM 0 H GLN A 24 -9.654 -6.220 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.901 -8.477 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.596 -8.145 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.831 -9.651 -3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.083 -9.122 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.659 -7.509 -1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.744 -7.252 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.980 -8.498 -1.890 1.00 0.00 H new ATOM 332 N VAL A 25 -8.078 -6.734 -4.801 1.00 0.00 N ATOM 333 CA VAL A 25 -7.578 -6.583 -6.162 1.00 0.00 C ATOM 334 C VAL A 25 -6.280 -5.783 -6.186 1.00 0.00 C ATOM 335 O VAL A 25 -5.559 -5.781 -7.183 1.00 0.00 O ATOM 336 CB VAL A 25 -8.613 -5.889 -7.067 1.00 0.00 C ATOM 337 CG1 VAL A 25 -9.925 -6.658 -7.066 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.828 -4.450 -6.622 1.00 0.00 C ATOM 0 H VAL A 25 -8.455 -5.878 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.389 -7.587 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.229 -5.877 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.644 -6.152 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.754 -7.669 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.319 -6.705 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.562 -3.974 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.191 -4.437 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.885 -3.906 -6.681 1.00 0.00 H new ATOM 348 N ALA A 26 -5.989 -5.106 -5.081 1.00 0.00 N ATOM 349 CA ALA A 26 -4.777 -4.303 -4.973 1.00 0.00 C ATOM 350 C ALA A 26 -3.595 -5.152 -4.515 1.00 0.00 C ATOM 351 O ALA A 26 -3.575 -5.648 -3.389 1.00 0.00 O ATOM 352 CB ALA A 26 -4.996 -3.141 -4.017 1.00 0.00 C ATOM 0 H ALA A 26 -6.576 -5.097 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.545 -3.906 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.082 -2.551 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.806 -2.513 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.256 -3.525 -3.031 1.00 0.00 H new ATOM 358 N SER A 27 -2.613 -5.316 -5.396 1.00 0.00 N ATOM 359 CA SER A 27 -1.430 -6.109 -5.083 1.00 0.00 C ATOM 360 C SER A 27 -0.620 -5.458 -3.966 1.00 0.00 C ATOM 361 O SER A 27 -0.660 -4.241 -3.782 1.00 0.00 O ATOM 362 CB SER A 27 -0.559 -6.276 -6.329 1.00 0.00 C ATOM 363 OG SER A 27 -1.203 -7.085 -7.297 1.00 0.00 O ATOM 0 H SER A 27 -2.613 -4.910 -6.332 1.00 0.00 H new ATOM 0 HA SER A 27 -1.760 -7.091 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.339 -5.298 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.395 -6.725 -6.052 1.00 0.00 H new ATOM 0 HG SER A 27 -0.626 -7.175 -8.084 1.00 0.00 H new ATOM 369 N ARG A 28 0.115 -6.278 -3.221 1.00 0.00 N ATOM 370 CA ARG A 28 0.934 -5.784 -2.121 1.00 0.00 C ATOM 371 C ARG A 28 1.620 -4.475 -2.499 1.00 0.00 C ATOM 372 O ARG A 28 1.805 -3.595 -1.659 1.00 0.00 O ATOM 373 CB ARG A 28 1.982 -6.827 -1.729 1.00 0.00 C ATOM 374 CG ARG A 28 2.868 -7.263 -2.884 1.00 0.00 C ATOM 375 CD ARG A 28 4.196 -7.816 -2.390 1.00 0.00 C ATOM 376 NE ARG A 28 4.058 -9.163 -1.843 1.00 0.00 N ATOM 377 CZ ARG A 28 5.090 -9.956 -1.573 1.00 0.00 C ATOM 378 NH1 ARG A 28 6.328 -9.538 -1.799 1.00 0.00 N ATOM 379 NH2 ARG A 28 4.884 -11.169 -1.076 1.00 0.00 N ATOM 0 H ARG A 28 0.160 -7.288 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 28 0.280 -5.598 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.608 -6.420 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.477 -7.702 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.353 -8.022 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.049 -6.416 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.911 -7.830 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.602 -7.154 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 28 3.118 -9.514 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.490 -8.606 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.118 -10.148 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.933 -11.494 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.677 -11.777 -0.869 1.00 0.00 H new ATOM 393 N GLU A 29 1.995 -4.354 -3.769 1.00 0.00 N ATOM 394 CA GLU A 29 2.662 -3.153 -4.257 1.00 0.00 C ATOM 395 C GLU A 29 1.664 -2.012 -4.438 1.00 0.00 C ATOM 396 O GLU A 29 1.930 -0.875 -4.049 1.00 0.00 O ATOM 397 CB GLU A 29 3.371 -3.439 -5.582 1.00 0.00 C ATOM 398 CG GLU A 29 4.442 -4.512 -5.480 1.00 0.00 C ATOM 399 CD GLU A 29 5.394 -4.501 -6.660 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.935 -3.421 -6.976 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.597 -5.573 -7.268 1.00 0.00 O ATOM 0 H GLU A 29 1.848 -5.073 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 29 3.402 -2.852 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.631 -3.745 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.825 -2.518 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.008 -4.368 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.966 -5.490 -5.412 1.00 0.00 H new ATOM 408 N GLN A 30 0.516 -2.326 -5.030 1.00 0.00 N ATOM 409 CA GLN A 30 -0.520 -1.328 -5.263 1.00 0.00 C ATOM 410 C GLN A 30 -0.903 -0.626 -3.964 1.00 0.00 C ATOM 411 O GLN A 30 -1.126 0.585 -3.942 1.00 0.00 O ATOM 412 CB GLN A 30 -1.755 -1.980 -5.888 1.00 0.00 C ATOM 413 CG GLN A 30 -1.488 -2.615 -7.242 1.00 0.00 C ATOM 414 CD GLN A 30 -1.295 -1.588 -8.341 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.270 -0.907 -8.396 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.281 -1.471 -9.222 1.00 0.00 N ATOM 0 H GLN A 30 0.280 -3.263 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.123 -0.583 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.137 -2.741 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.537 -1.228 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.599 -3.242 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.320 -3.269 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.112 -2.056 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.207 -0.796 -9.983 1.00 0.00 H new ATOM 425 N LEU A 31 -0.978 -1.395 -2.883 1.00 0.00 N ATOM 426 CA LEU A 31 -1.335 -0.848 -1.578 1.00 0.00 C ATOM 427 C LEU A 31 -0.399 0.293 -1.192 1.00 0.00 C ATOM 428 O LEU A 31 -0.837 1.320 -0.671 1.00 0.00 O ATOM 429 CB LEU A 31 -1.287 -1.944 -0.513 1.00 0.00 C ATOM 430 CG LEU A 31 -2.507 -2.863 -0.440 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.776 -2.051 -0.236 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.611 -3.711 -1.700 1.00 0.00 C ATOM 0 H LEU A 31 -0.796 -2.399 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.350 -0.456 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.405 -2.558 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.154 -1.471 0.460 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.386 -3.529 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.633 -2.722 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.702 -1.488 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.904 -1.360 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.485 -4.359 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.709 -3.061 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.714 -4.321 -1.803 1.00 0.00 H new ATOM 444 N LEU A 32 0.890 0.108 -1.454 1.00 0.00 N ATOM 445 CA LEU A 32 1.889 1.123 -1.136 1.00 0.00 C ATOM 446 C LEU A 32 1.822 2.282 -2.126 1.00 0.00 C ATOM 447 O LEU A 32 1.804 3.448 -1.733 1.00 0.00 O ATOM 448 CB LEU A 32 3.290 0.509 -1.145 1.00 0.00 C ATOM 449 CG LEU A 32 4.344 1.231 -0.306 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.428 0.621 1.085 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.700 1.181 -0.995 1.00 0.00 C ATOM 0 H LEU A 32 1.268 -0.735 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 32 1.675 1.508 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.216 -0.520 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.641 0.468 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 32 4.048 2.275 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.183 1.148 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.461 0.709 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.700 -0.431 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.438 1.700 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.003 0.142 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.631 1.665 -1.969 1.00 0.00 H new ATOM 463 N TYR A 33 1.784 1.952 -3.412 1.00 0.00 N ATOM 464 CA TYR A 33 1.719 2.964 -4.459 1.00 0.00 C ATOM 465 C TYR A 33 0.741 4.074 -4.085 1.00 0.00 C ATOM 466 O TYR A 33 1.095 5.254 -4.081 1.00 0.00 O ATOM 467 CB TYR A 33 1.302 2.329 -5.787 1.00 0.00 C ATOM 468 CG TYR A 33 1.476 3.245 -6.978 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.734 3.709 -7.343 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.384 3.647 -7.736 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.898 4.547 -8.430 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.539 4.483 -8.825 1.00 0.00 C ATOM 473 CZ TYR A 33 1.798 4.930 -9.167 1.00 0.00 C ATOM 474 OH TYR A 33 1.956 5.764 -10.250 1.00 0.00 O ATOM 0 H TYR A 33 1.797 0.991 -3.754 1.00 0.00 H new ATOM 0 HA TYR A 33 2.712 3.400 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.888 1.424 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.257 2.025 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.598 3.410 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.603 3.300 -7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.882 4.900 -8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.321 4.785 -9.405 1.00 0.00 H new ATOM 0 HH TYR A 33 1.261 5.573 -10.914 1.00 0.00 H new ATOM 484 N LEU A 34 -0.490 3.687 -3.769 1.00 0.00 N ATOM 485 CA LEU A 34 -1.521 4.648 -3.392 1.00 0.00 C ATOM 486 C LEU A 34 -1.101 5.439 -2.157 1.00 0.00 C ATOM 487 O LEU A 34 -1.434 6.617 -2.019 1.00 0.00 O ATOM 488 CB LEU A 34 -2.843 3.928 -3.125 1.00 0.00 C ATOM 489 CG LEU A 34 -3.319 2.971 -4.218 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.578 2.240 -3.778 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.564 3.724 -5.517 1.00 0.00 C ATOM 0 H LEU A 34 -0.799 2.715 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.655 5.345 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.747 3.367 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.617 4.679 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.537 2.232 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.901 1.564 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.369 1.668 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.367 2.964 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.902 3.027 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.327 4.486 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.639 4.200 -5.842 1.00 0.00 H new ATOM 503 N TYR A 35 -0.367 4.786 -1.263 1.00 0.00 N ATOM 504 CA TYR A 35 0.098 5.428 -0.040 1.00 0.00 C ATOM 505 C TYR A 35 1.142 6.497 -0.349 1.00 0.00 C ATOM 506 O TYR A 35 1.011 7.647 0.068 1.00 0.00 O ATOM 507 CB TYR A 35 0.684 4.388 0.916 1.00 0.00 C ATOM 508 CG TYR A 35 1.536 4.986 2.013 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.875 5.286 1.795 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.002 5.250 3.269 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.657 5.832 2.794 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.776 5.797 4.273 1.00 0.00 C ATOM 513 CZ TYR A 35 3.103 6.086 4.032 1.00 0.00 C ATOM 514 OH TYR A 35 3.878 6.629 5.030 1.00 0.00 O ATOM 0 H TYR A 35 -0.081 3.812 -1.363 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.757 5.908 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.131 3.822 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.285 3.680 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.312 5.089 0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.036 5.023 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.696 6.059 2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.344 5.998 5.242 1.00 0.00 H new ATOM 0 HH TYR A 35 3.336 6.746 5.838 1.00 0.00 H new ATOM 524 N ALA A 36 2.178 6.107 -1.083 1.00 0.00 N ATOM 525 CA ALA A 36 3.244 7.031 -1.452 1.00 0.00 C ATOM 526 C ALA A 36 2.679 8.390 -1.852 1.00 0.00 C ATOM 527 O ALA A 36 2.846 9.377 -1.136 1.00 0.00 O ATOM 528 CB ALA A 36 4.079 6.450 -2.583 1.00 0.00 C ATOM 0 H ALA A 36 2.302 5.157 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 36 3.883 7.175 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.871 7.151 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.521 5.507 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.444 6.275 -3.451 1.00 0.00 H new ATOM 534 N ARG A 37 2.011 8.433 -3.000 1.00 0.00 N ATOM 535 CA ARG A 37 1.423 9.671 -3.496 1.00 0.00 C ATOM 536 C ARG A 37 0.416 10.233 -2.497 1.00 0.00 C ATOM 537 O ARG A 37 0.422 11.428 -2.199 1.00 0.00 O ATOM 538 CB ARG A 37 0.742 9.433 -4.845 1.00 0.00 C ATOM 539 CG ARG A 37 1.717 9.249 -5.996 1.00 0.00 C ATOM 540 CD ARG A 37 1.015 8.743 -7.246 1.00 0.00 C ATOM 541 NE ARG A 37 0.025 7.714 -6.940 1.00 0.00 N ATOM 542 CZ ARG A 37 0.339 6.501 -6.499 1.00 0.00 C ATOM 543 NH1 ARG A 37 1.608 6.167 -6.315 1.00 0.00 N ATOM 544 NH2 ARG A 37 -0.619 5.619 -6.242 1.00 0.00 N ATOM 0 H ARG A 37 1.864 7.624 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 37 2.225 10.398 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.109 8.549 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.088 10.276 -5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.209 10.197 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.496 8.545 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.527 9.577 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.754 8.340 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.961 7.939 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.347 6.842 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.846 5.235 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.597 5.873 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.377 4.688 -5.903 1.00 0.00 H new ATOM 558 N TYR A 38 -0.449 9.364 -1.985 1.00 0.00 N ATOM 559 CA TYR A 38 -1.464 9.774 -1.022 1.00 0.00 C ATOM 560 C TYR A 38 -0.841 10.567 0.123 1.00 0.00 C ATOM 561 O TYR A 38 -1.473 11.455 0.695 1.00 0.00 O ATOM 562 CB TYR A 38 -2.197 8.550 -0.470 1.00 0.00 C ATOM 563 CG TYR A 38 -3.079 8.857 0.719 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.530 9.249 1.934 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.462 8.755 0.628 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.332 9.530 3.023 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.272 9.036 1.711 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.702 9.423 2.906 1.00 0.00 C ATOM 569 OH TYR A 38 -5.505 9.702 3.988 1.00 0.00 O ATOM 0 H TYR A 38 -0.467 8.372 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.179 10.416 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.807 8.115 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.463 7.797 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.458 9.335 2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.911 8.451 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.889 9.832 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.345 8.953 1.623 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.445 9.579 3.738 1.00 0.00 H new ATOM 579 N LYS A 39 0.404 10.239 0.452 1.00 0.00 N ATOM 580 CA LYS A 39 1.116 10.920 1.527 1.00 0.00 C ATOM 581 C LYS A 39 1.760 12.207 1.022 1.00 0.00 C ATOM 582 O LYS A 39 1.939 13.160 1.780 1.00 0.00 O ATOM 583 CB LYS A 39 2.186 10.001 2.120 1.00 0.00 C ATOM 584 CG LYS A 39 1.646 9.030 3.156 1.00 0.00 C ATOM 585 CD LYS A 39 1.268 9.742 4.444 1.00 0.00 C ATOM 586 CE LYS A 39 2.500 10.189 5.217 1.00 0.00 C ATOM 587 NZ LYS A 39 2.190 10.457 6.648 1.00 0.00 N ATOM 0 H LYS A 39 0.941 9.505 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 39 0.394 11.175 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.655 9.436 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.965 10.611 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.773 8.516 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.396 8.268 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.648 10.608 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.668 9.077 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.269 9.420 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.909 11.090 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.055 10.759 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.474 11.209 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.824 9.591 7.092 1.00 0.00 H new ATOM 601 N GLN A 40 2.106 12.228 -0.261 1.00 0.00 N ATOM 602 CA GLN A 40 2.729 13.399 -0.866 1.00 0.00 C ATOM 603 C GLN A 40 1.724 14.536 -1.013 1.00 0.00 C ATOM 604 O GLN A 40 2.074 15.709 -0.881 1.00 0.00 O ATOM 605 CB GLN A 40 3.317 13.042 -2.232 1.00 0.00 C ATOM 606 CG GLN A 40 4.013 14.206 -2.918 1.00 0.00 C ATOM 607 CD GLN A 40 5.404 14.460 -2.369 1.00 0.00 C ATOM 608 OE1 GLN A 40 6.018 13.576 -1.771 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.908 15.671 -2.571 1.00 0.00 N ATOM 0 H GLN A 40 1.965 11.447 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 40 3.532 13.732 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.028 12.225 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.519 12.676 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.080 14.005 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.410 15.106 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.363 16.373 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.840 15.900 -2.225 1.00 0.00 H new ATOM 618 N VAL A 41 0.473 14.181 -1.288 1.00 0.00 N ATOM 619 CA VAL A 41 -0.585 15.172 -1.452 1.00 0.00 C ATOM 620 C VAL A 41 -0.995 15.766 -0.109 1.00 0.00 C ATOM 621 O VAL A 41 -1.481 16.895 -0.040 1.00 0.00 O ATOM 622 CB VAL A 41 -1.825 14.562 -2.131 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.411 13.604 -3.238 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.701 13.858 -1.106 1.00 0.00 C ATOM 0 H VAL A 41 0.167 13.215 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.183 15.961 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.406 15.368 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.301 13.183 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.828 14.142 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.808 12.800 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.573 13.433 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.132 13.061 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.027 14.575 -0.352 1.00 0.00 H new ATOM 634 N LYS A 42 -0.795 14.999 0.957 1.00 0.00 N ATOM 635 CA LYS A 42 -1.142 15.448 2.300 1.00 0.00 C ATOM 636 C LYS A 42 0.017 16.211 2.934 1.00 0.00 C ATOM 637 O LYS A 42 -0.157 17.323 3.432 1.00 0.00 O ATOM 638 CB LYS A 42 -1.521 14.254 3.178 1.00 0.00 C ATOM 639 CG LYS A 42 -2.699 13.456 2.644 1.00 0.00 C ATOM 640 CD LYS A 42 -3.987 14.260 2.699 1.00 0.00 C ATOM 641 CE LYS A 42 -5.132 13.525 2.018 1.00 0.00 C ATOM 642 NZ LYS A 42 -5.866 12.643 2.966 1.00 0.00 N ATOM 0 H LYS A 42 -0.394 14.062 0.917 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.997 16.119 2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.658 13.594 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.759 14.611 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.500 13.156 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.814 12.542 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.248 14.460 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.835 15.226 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.823 14.249 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.741 12.927 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.860 12.567 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.432 11.698 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.819 13.047 3.923 1.00 0.00 H new ATOM 656 N VAL A 43 1.201 15.606 2.912 1.00 0.00 N ATOM 657 CA VAL A 43 2.389 16.230 3.482 1.00 0.00 C ATOM 658 C VAL A 43 3.219 16.919 2.405 1.00 0.00 C ATOM 659 O VAL A 43 3.367 18.140 2.408 1.00 0.00 O ATOM 660 CB VAL A 43 3.269 15.198 4.212 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.316 15.897 5.066 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.411 14.270 5.059 1.00 0.00 C ATOM 0 H VAL A 43 1.363 14.685 2.506 1.00 0.00 H new ATOM 0 HA VAL A 43 2.043 16.974 4.200 1.00 0.00 H new ATOM 0 HB VAL A 43 3.787 14.596 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.928 15.152 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.950 16.515 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.821 16.526 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.049 13.547 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.864 14.854 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.704 13.742 4.419 1.00 0.00 H new ATOM 672 N GLY A 44 3.759 16.126 1.484 1.00 0.00 N ATOM 673 CA GLY A 44 4.568 16.678 0.413 1.00 0.00 C ATOM 674 C GLY A 44 5.998 16.179 0.451 1.00 0.00 C ATOM 675 O GLY A 44 6.248 14.981 0.324 1.00 0.00 O ATOM 0 H GLY A 44 3.651 15.112 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.121 16.418 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.564 17.766 0.482 1.00 0.00 H new ATOM 679 N ASN A 45 6.940 17.100 0.625 1.00 0.00 N ATOM 680 CA ASN A 45 8.355 16.747 0.677 1.00 0.00 C ATOM 681 C ASN A 45 8.652 15.868 1.888 1.00 0.00 C ATOM 682 O ASN A 45 8.188 16.142 2.995 1.00 0.00 O ATOM 683 CB ASN A 45 9.215 18.011 0.726 1.00 0.00 C ATOM 684 CG ASN A 45 9.083 18.851 -0.530 1.00 0.00 C ATOM 685 OD1 ASN A 45 8.053 19.485 -0.760 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.128 18.858 -1.350 1.00 0.00 N ATOM 0 H ASN A 45 6.750 18.096 0.732 1.00 0.00 H new ATOM 0 HA ASN A 45 8.598 16.185 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.928 18.609 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.259 17.731 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.097 19.404 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.961 18.317 -1.119 1.00 0.00 H new ATOM 693 N CYS A 46 9.427 14.813 1.669 1.00 0.00 N ATOM 694 CA CYS A 46 9.787 13.893 2.742 1.00 0.00 C ATOM 695 C CYS A 46 9.982 14.641 4.057 1.00 0.00 C ATOM 696 O CYS A 46 10.988 15.320 4.253 1.00 0.00 O ATOM 697 CB CYS A 46 11.062 13.129 2.382 1.00 0.00 C ATOM 698 SG CYS A 46 11.736 12.137 3.736 1.00 0.00 S ATOM 0 H CYS A 46 9.819 14.573 0.758 1.00 0.00 H new ATOM 0 HA CYS A 46 8.970 13.182 2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.854 12.475 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.820 13.841 2.056 1.00 0.00 H new ATOM 0 HG CYS A 46 12.499 11.203 3.251 1.00 0.00 H new ATOM 704 N ASN A 47 9.011 14.511 4.955 1.00 0.00 N ATOM 705 CA ASN A 47 9.074 15.177 6.251 1.00 0.00 C ATOM 706 C ASN A 47 9.360 14.174 7.365 1.00 0.00 C ATOM 707 O ASN A 47 9.036 14.412 8.529 1.00 0.00 O ATOM 708 CB ASN A 47 7.763 15.912 6.535 1.00 0.00 C ATOM 709 CG ASN A 47 7.789 17.349 6.052 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.778 18.289 6.990 1.00 0.00 O flip ATOM 711 ND2 ASN A 47 7.819 17.611 4.849 1.00 0.00 N flip ATOM 0 H ASN A 47 8.171 13.951 4.809 1.00 0.00 H new ATOM 0 HA ASN A 47 9.889 15.901 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 47 6.941 15.384 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.565 15.895 7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.826 16.856 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.837 18.583 4.539 1.00 0.00 H new ATOM 718 N THR A 48 9.969 13.050 7.000 1.00 0.00 N ATOM 719 CA THR A 48 10.298 12.010 7.966 1.00 0.00 C ATOM 720 C THR A 48 11.701 11.465 7.731 1.00 0.00 C ATOM 721 O THR A 48 12.230 11.503 6.619 1.00 0.00 O ATOM 722 CB THR A 48 9.290 10.847 7.905 1.00 0.00 C ATOM 723 OG1 THR A 48 9.148 10.393 6.554 1.00 0.00 O ATOM 724 CG2 THR A 48 7.934 11.276 8.446 1.00 0.00 C ATOM 0 H THR A 48 10.244 12.837 6.041 1.00 0.00 H new ATOM 0 HA THR A 48 10.251 12.470 8.953 1.00 0.00 H new ATOM 0 HB THR A 48 9.669 10.034 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.006 10.042 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.239 10.438 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.040 11.594 9.483 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.550 12.104 7.850 1.00 0.00 H new ATOM 732 N PRO A 49 12.321 10.943 8.799 1.00 0.00 N ATOM 733 CA PRO A 49 13.672 10.378 8.733 1.00 0.00 C ATOM 734 C PRO A 49 13.717 9.072 7.948 1.00 0.00 C ATOM 735 O PRO A 49 12.696 8.405 7.774 1.00 0.00 O ATOM 736 CB PRO A 49 14.026 10.131 10.202 1.00 0.00 C ATOM 737 CG PRO A 49 12.712 9.968 10.886 1.00 0.00 C ATOM 738 CD PRO A 49 11.751 10.864 10.155 1.00 0.00 C ATOM 0 HA PRO A 49 14.366 11.043 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.645 9.241 10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.589 10.966 10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.381 8.930 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.782 10.246 11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.743 10.448 10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.685 11.847 10.621 1.00 0.00 H new ATOM 746 N LYS A 50 14.905 8.710 7.475 1.00 0.00 N ATOM 747 CA LYS A 50 15.083 7.483 6.709 1.00 0.00 C ATOM 748 C LYS A 50 14.973 6.258 7.612 1.00 0.00 C ATOM 749 O LYS A 50 15.620 6.166 8.656 1.00 0.00 O ATOM 750 CB LYS A 50 16.442 7.490 6.004 1.00 0.00 C ATOM 751 CG LYS A 50 16.581 6.414 4.942 1.00 0.00 C ATOM 752 CD LYS A 50 17.916 6.510 4.222 1.00 0.00 C ATOM 753 CE LYS A 50 17.935 5.654 2.965 1.00 0.00 C ATOM 754 NZ LYS A 50 18.967 6.115 1.996 1.00 0.00 N ATOM 0 H LYS A 50 15.760 9.250 7.609 1.00 0.00 H new ATOM 0 HA LYS A 50 14.293 7.433 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.598 8.466 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.228 7.359 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.486 5.431 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.770 6.507 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.115 7.549 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.715 6.192 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.129 4.616 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.954 5.682 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.948 5.506 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.768 7.097 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.907 6.064 2.439 1.00 0.00 H new ATOM 768 N PRO A 51 14.137 5.293 7.201 1.00 0.00 N ATOM 769 CA PRO A 51 13.925 4.055 7.957 1.00 0.00 C ATOM 770 C PRO A 51 15.147 3.143 7.932 1.00 0.00 C ATOM 771 O PRO A 51 15.894 3.118 6.954 1.00 0.00 O ATOM 772 CB PRO A 51 12.750 3.394 7.233 1.00 0.00 C ATOM 773 CG PRO A 51 12.809 3.932 5.845 1.00 0.00 C ATOM 774 CD PRO A 51 13.335 5.335 5.967 1.00 0.00 C ATOM 0 HA PRO A 51 13.738 4.250 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.841 2.308 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.802 3.638 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.461 3.324 5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.823 3.924 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.940 5.614 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.526 6.062 6.038 1.00 0.00 H new ATOM 782 N SER A 52 15.345 2.395 9.012 1.00 0.00 N ATOM 783 CA SER A 52 16.479 1.483 9.114 1.00 0.00 C ATOM 784 C SER A 52 16.422 0.421 8.021 1.00 0.00 C ATOM 785 O SER A 52 15.424 0.298 7.310 1.00 0.00 O ATOM 786 CB SER A 52 16.500 0.815 10.490 1.00 0.00 C ATOM 787 OG SER A 52 17.740 0.170 10.725 1.00 0.00 O ATOM 0 H SER A 52 14.735 2.402 9.829 1.00 0.00 H new ATOM 0 HA SER A 52 17.393 2.063 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.323 1.562 11.263 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.690 0.089 10.557 1.00 0.00 H new ATOM 0 HG SER A 52 17.729 -0.248 11.611 1.00 0.00 H new ATOM 793 N PHE A 53 17.501 -0.344 7.892 1.00 0.00 N ATOM 794 CA PHE A 53 17.576 -1.396 6.884 1.00 0.00 C ATOM 795 C PHE A 53 16.758 -2.613 7.307 1.00 0.00 C ATOM 796 O PHE A 53 16.129 -3.270 6.477 1.00 0.00 O ATOM 797 CB PHE A 53 19.032 -1.802 6.649 1.00 0.00 C ATOM 798 CG PHE A 53 19.182 -3.159 6.022 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.726 -3.397 4.736 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.779 -4.197 6.719 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.862 -4.645 4.157 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.918 -5.447 6.146 1.00 0.00 C ATOM 803 CZ PHE A 53 19.460 -5.670 4.863 1.00 0.00 C ATOM 0 H PHE A 53 18.335 -0.255 8.472 1.00 0.00 H new ATOM 0 HA PHE A 53 17.160 -1.006 5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.509 -1.060 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.563 -1.790 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.259 -2.598 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.140 -4.027 7.723 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.501 -4.818 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.384 -6.248 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.569 -6.645 4.412 1.00 0.00 H new ATOM 813 N PHE A 54 16.773 -2.907 8.602 1.00 0.00 N ATOM 814 CA PHE A 54 16.034 -4.046 9.136 1.00 0.00 C ATOM 815 C PHE A 54 14.531 -3.848 8.964 1.00 0.00 C ATOM 816 O PHE A 54 13.787 -4.809 8.765 1.00 0.00 O ATOM 817 CB PHE A 54 16.367 -4.249 10.615 1.00 0.00 C ATOM 818 CG PHE A 54 17.839 -4.369 10.888 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.679 -4.978 9.969 1.00 0.00 C ATOM 820 CD2 PHE A 54 18.383 -3.874 12.062 1.00 0.00 C ATOM 821 CE1 PHE A 54 20.034 -5.092 10.218 1.00 0.00 C ATOM 822 CE2 PHE A 54 19.738 -3.984 12.316 1.00 0.00 C ATOM 823 CZ PHE A 54 20.564 -4.593 11.392 1.00 0.00 C ATOM 0 H PHE A 54 17.288 -2.373 9.302 1.00 0.00 H new ATOM 0 HA PHE A 54 16.332 -4.934 8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.967 -3.412 11.187 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.865 -5.148 10.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.270 -5.368 9.048 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.741 -3.396 12.788 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.678 -5.571 9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.149 -3.594 13.235 1.00 0.00 H new ATOM 0 HZ PHE A 54 21.623 -4.679 11.587 1.00 0.00 H new ATOM 833 N ASP A 55 14.092 -2.597 9.042 1.00 0.00 N ATOM 834 CA ASP A 55 12.678 -2.272 8.894 1.00 0.00 C ATOM 835 C ASP A 55 12.307 -2.119 7.423 1.00 0.00 C ATOM 836 O ASP A 55 12.196 -1.004 6.912 1.00 0.00 O ATOM 837 CB ASP A 55 12.347 -0.986 9.653 1.00 0.00 C ATOM 838 CG ASP A 55 10.916 -0.961 10.153 1.00 0.00 C ATOM 839 OD1 ASP A 55 10.550 -1.851 10.949 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.162 -0.051 9.748 1.00 0.00 O ATOM 0 H ASP A 55 14.695 -1.791 9.207 1.00 0.00 H new ATOM 0 HA ASP A 55 12.096 -3.092 9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.026 -0.882 10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.516 -0.129 9.001 1.00 0.00 H new ATOM 845 N PHE A 56 12.117 -3.247 6.746 1.00 0.00 N ATOM 846 CA PHE A 56 11.759 -3.239 5.332 1.00 0.00 C ATOM 847 C PHE A 56 10.380 -2.621 5.123 1.00 0.00 C ATOM 848 O PHE A 56 10.233 -1.636 4.401 1.00 0.00 O ATOM 849 CB PHE A 56 11.784 -4.662 4.770 1.00 0.00 C ATOM 850 CG PHE A 56 12.688 -5.591 5.529 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.223 -6.279 6.638 1.00 0.00 C ATOM 852 CD2 PHE A 56 14.003 -5.775 5.134 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.051 -7.134 7.338 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.836 -6.630 5.830 1.00 0.00 C ATOM 855 CZ PHE A 56 14.361 -7.309 6.934 1.00 0.00 C ATOM 0 H PHE A 56 12.205 -4.178 7.154 1.00 0.00 H new ATOM 0 HA PHE A 56 12.493 -2.633 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.771 -5.065 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.104 -4.627 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.201 -6.145 6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.381 -5.244 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.675 -7.665 8.200 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.858 -6.767 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.012 -7.975 7.481 1.00 0.00 H new ATOM 865 N GLU A 57 9.372 -3.209 5.760 1.00 0.00 N ATOM 866 CA GLU A 57 8.004 -2.717 5.643 1.00 0.00 C ATOM 867 C GLU A 57 7.981 -1.196 5.529 1.00 0.00 C ATOM 868 O GLU A 57 7.497 -0.643 4.542 1.00 0.00 O ATOM 869 CB GLU A 57 7.174 -3.162 6.848 1.00 0.00 C ATOM 870 CG GLU A 57 7.335 -4.634 7.189 1.00 0.00 C ATOM 871 CD GLU A 57 6.373 -5.092 8.267 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.295 -4.422 9.318 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.697 -6.122 8.061 1.00 0.00 O ATOM 0 H GLU A 57 9.477 -4.026 6.362 1.00 0.00 H new ATOM 0 HA GLU A 57 7.570 -3.138 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.457 -2.564 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.122 -2.957 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.178 -5.230 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.358 -4.817 7.519 1.00 0.00 H new ATOM 880 N GLY A 58 8.508 -0.523 6.548 1.00 0.00 N ATOM 881 CA GLY A 58 8.537 0.927 6.544 1.00 0.00 C ATOM 882 C GLY A 58 9.477 1.485 5.494 1.00 0.00 C ATOM 883 O GLY A 58 9.248 2.569 4.957 1.00 0.00 O ATOM 0 H GLY A 58 8.915 -0.957 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.531 1.307 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.843 1.284 7.527 1.00 0.00 H new ATOM 887 N LYS A 59 10.541 0.744 5.201 1.00 0.00 N ATOM 888 CA LYS A 59 11.520 1.170 4.209 1.00 0.00 C ATOM 889 C LYS A 59 10.839 1.541 2.895 1.00 0.00 C ATOM 890 O LYS A 59 10.986 2.659 2.404 1.00 0.00 O ATOM 891 CB LYS A 59 12.548 0.062 3.968 1.00 0.00 C ATOM 892 CG LYS A 59 13.786 0.531 3.224 1.00 0.00 C ATOM 893 CD LYS A 59 14.948 -0.429 3.414 1.00 0.00 C ATOM 894 CE LYS A 59 14.676 -1.772 2.756 1.00 0.00 C ATOM 895 NZ LYS A 59 15.901 -2.617 2.691 1.00 0.00 N ATOM 0 H LYS A 59 10.747 -0.155 5.637 1.00 0.00 H new ATOM 0 HA LYS A 59 12.030 2.053 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.849 -0.358 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.077 -0.742 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.560 0.624 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.070 1.522 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.854 0.007 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.130 -0.575 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.901 -2.299 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.292 -1.612 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.645 -3.575 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.575 -2.201 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.339 -2.666 3.633 1.00 0.00 H new ATOM 909 N GLN A 60 10.094 0.595 2.333 1.00 0.00 N ATOM 910 CA GLN A 60 9.390 0.823 1.077 1.00 0.00 C ATOM 911 C GLN A 60 8.501 2.060 1.168 1.00 0.00 C ATOM 912 O GLN A 60 8.459 2.877 0.248 1.00 0.00 O ATOM 913 CB GLN A 60 8.547 -0.399 0.711 1.00 0.00 C ATOM 914 CG GLN A 60 7.799 -0.999 1.891 1.00 0.00 C ATOM 915 CD GLN A 60 6.814 -2.073 1.473 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.606 -1.931 1.663 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.326 -3.155 0.900 1.00 0.00 N ATOM 0 H GLN A 60 9.962 -0.336 2.727 1.00 0.00 H new ATOM 0 HA GLN A 60 10.134 0.989 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.828 -0.117 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.195 -1.160 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.517 -1.423 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.266 -0.208 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.334 -3.231 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.712 -3.911 0.597 1.00 0.00 H new ATOM 926 N LYS A 61 7.791 2.190 2.284 1.00 0.00 N ATOM 927 CA LYS A 61 6.903 3.327 2.497 1.00 0.00 C ATOM 928 C LYS A 61 7.660 4.643 2.355 1.00 0.00 C ATOM 929 O LYS A 61 7.282 5.505 1.562 1.00 0.00 O ATOM 930 CB LYS A 61 6.258 3.244 3.882 1.00 0.00 C ATOM 931 CG LYS A 61 5.504 1.948 4.125 1.00 0.00 C ATOM 932 CD LYS A 61 4.382 2.137 5.133 1.00 0.00 C ATOM 933 CE LYS A 61 3.079 2.526 4.451 1.00 0.00 C ATOM 934 NZ LYS A 61 1.917 2.422 5.375 1.00 0.00 N ATOM 0 H LYS A 61 7.813 1.522 3.055 1.00 0.00 H new ATOM 0 HA LYS A 61 6.123 3.294 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.033 3.352 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.572 4.082 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.092 1.584 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.195 1.186 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.238 1.215 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.662 2.908 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.155 3.547 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.915 1.882 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.247 1.715 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.248 2.133 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.443 3.345 5.442 1.00 0.00 H new ATOM 948 N TRP A 62 8.731 4.790 3.127 1.00 0.00 N ATOM 949 CA TRP A 62 9.542 6.002 3.086 1.00 0.00 C ATOM 950 C TRP A 62 10.139 6.211 1.699 1.00 0.00 C ATOM 951 O TRP A 62 10.079 7.309 1.147 1.00 0.00 O ATOM 952 CB TRP A 62 10.659 5.928 4.129 1.00 0.00 C ATOM 953 CG TRP A 62 11.389 7.225 4.310 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.009 8.276 5.094 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.623 7.607 3.693 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.933 9.289 5.002 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.933 8.903 4.149 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.497 6.980 2.801 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.078 9.581 3.742 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.634 7.654 2.398 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.917 8.943 2.868 1.00 0.00 C ATOM 0 H TRP A 62 9.058 4.086 3.788 1.00 0.00 H new ATOM 0 HA TRP A 62 8.896 6.850 3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.234 5.622 5.085 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.371 5.157 3.835 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.114 8.307 5.698 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.882 10.183 5.490 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.288 5.986 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.297 10.575 4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.316 7.179 1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.814 9.443 2.535 1.00 0.00 H new ATOM 972 N GLU A 63 10.713 5.150 1.140 1.00 0.00 N ATOM 973 CA GLU A 63 11.321 5.219 -0.183 1.00 0.00 C ATOM 974 C GLU A 63 10.309 5.693 -1.223 1.00 0.00 C ATOM 975 O GLU A 63 10.454 6.770 -1.800 1.00 0.00 O ATOM 976 CB GLU A 63 11.879 3.852 -0.585 1.00 0.00 C ATOM 977 CG GLU A 63 13.243 3.552 0.012 1.00 0.00 C ATOM 978 CD GLU A 63 13.980 2.458 -0.736 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.530 1.294 -0.679 1.00 0.00 O ATOM 980 OE2 GLU A 63 15.006 2.765 -1.379 1.00 0.00 O ATOM 0 H GLU A 63 10.769 4.233 1.583 1.00 0.00 H new ATOM 0 HA GLU A 63 12.138 5.939 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.178 3.077 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.949 3.803 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.846 4.460 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.122 3.256 1.054 1.00 0.00 H new ATOM 987 N ALA A 64 9.284 4.880 -1.455 1.00 0.00 N ATOM 988 CA ALA A 64 8.247 5.216 -2.423 1.00 0.00 C ATOM 989 C ALA A 64 7.846 6.683 -2.312 1.00 0.00 C ATOM 990 O ALA A 64 7.847 7.413 -3.303 1.00 0.00 O ATOM 991 CB ALA A 64 7.033 4.319 -2.229 1.00 0.00 C ATOM 0 H ALA A 64 9.149 3.984 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 64 8.651 5.052 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.267 4.581 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.324 3.278 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.637 4.455 -1.222 1.00 0.00 H new ATOM 997 N TRP A 65 7.504 7.107 -1.101 1.00 0.00 N ATOM 998 CA TRP A 65 7.101 8.488 -0.861 1.00 0.00 C ATOM 999 C TRP A 65 8.297 9.429 -0.952 1.00 0.00 C ATOM 1000 O TRP A 65 8.147 10.613 -1.255 1.00 0.00 O ATOM 1001 CB TRP A 65 6.440 8.617 0.513 1.00 0.00 C ATOM 1002 CG TRP A 65 6.234 10.038 0.942 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.984 11.110 0.135 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.263 10.540 2.283 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.856 12.249 0.892 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.022 11.926 2.213 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.467 9.954 3.535 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.981 12.732 3.347 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.426 10.756 4.660 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.184 12.132 4.560 1.00 0.00 C ATOM 0 H TRP A 65 7.498 6.515 -0.270 1.00 0.00 H new ATOM 0 HA TRP A 65 6.382 8.768 -1.631 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.477 8.107 0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.056 8.107 1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.899 11.069 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.668 13.184 0.529 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.653 8.894 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.796 13.793 3.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.583 10.314 5.633 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.157 12.731 5.458 1.00 0.00 H new ATOM 1021 N LYS A 66 9.485 8.895 -0.689 1.00 0.00 N ATOM 1022 CA LYS A 66 10.709 9.687 -0.744 1.00 0.00 C ATOM 1023 C LYS A 66 11.036 10.084 -2.179 1.00 0.00 C ATOM 1024 O LYS A 66 11.439 11.217 -2.443 1.00 0.00 O ATOM 1025 CB LYS A 66 11.876 8.901 -0.142 1.00 0.00 C ATOM 1026 CG LYS A 66 13.229 9.552 -0.369 1.00 0.00 C ATOM 1027 CD LYS A 66 13.397 10.801 0.480 1.00 0.00 C ATOM 1028 CE LYS A 66 14.460 11.726 -0.093 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.466 13.051 0.585 1.00 0.00 N ATOM 0 H LYS A 66 9.627 7.917 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 66 10.551 10.595 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.712 8.787 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.888 7.899 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.020 8.841 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.337 9.810 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.447 11.331 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.670 10.517 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.440 11.261 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.284 11.865 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.204 13.652 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.539 13.507 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.659 12.921 1.599 1.00 0.00 H new ATOM 1043 N ALA A 67 10.860 9.146 -3.103 1.00 0.00 N ATOM 1044 CA ALA A 67 11.134 9.400 -4.512 1.00 0.00 C ATOM 1045 C ALA A 67 10.334 10.595 -5.020 1.00 0.00 C ATOM 1046 O ALA A 67 10.673 11.193 -6.042 1.00 0.00 O ATOM 1047 CB ALA A 67 10.822 8.163 -5.342 1.00 0.00 C ATOM 0 H ALA A 67 10.529 8.203 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 67 12.193 9.635 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.031 8.367 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.441 7.332 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.770 7.903 -5.226 1.00 0.00 H new ATOM 1053 N LEU A 68 9.271 10.938 -4.301 1.00 0.00 N ATOM 1054 CA LEU A 68 8.422 12.062 -4.679 1.00 0.00 C ATOM 1055 C LEU A 68 8.871 13.342 -3.983 1.00 0.00 C ATOM 1056 O LEU A 68 8.069 14.038 -3.362 1.00 0.00 O ATOM 1057 CB LEU A 68 6.962 11.764 -4.330 1.00 0.00 C ATOM 1058 CG LEU A 68 6.422 10.412 -4.800 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.959 10.260 -4.417 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.601 10.260 -6.304 1.00 0.00 C ATOM 0 H LEU A 68 8.977 10.454 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 68 8.510 12.206 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.849 11.821 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.339 12.550 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 68 6.989 9.623 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.592 9.292 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.858 10.324 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.376 11.055 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.211 9.293 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.060 11.055 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.660 10.324 -6.553 1.00 0.00 H new ATOM 1072 N GLY A 69 10.161 13.649 -4.094 1.00 0.00 N ATOM 1073 CA GLY A 69 10.694 14.846 -3.472 1.00 0.00 C ATOM 1074 C GLY A 69 10.271 16.111 -4.192 1.00 0.00 C ATOM 1075 O GLY A 69 9.960 17.120 -3.558 1.00 0.00 O ATOM 0 H GLY A 69 10.845 13.090 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.360 14.893 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.782 14.789 -3.454 1.00 0.00 H new ATOM 1079 N ASP A 70 10.262 16.059 -5.519 1.00 0.00 N ATOM 1080 CA ASP A 70 9.875 17.210 -6.326 1.00 0.00 C ATOM 1081 C ASP A 70 8.591 16.924 -7.100 1.00 0.00 C ATOM 1082 O ASP A 70 8.443 17.337 -8.251 1.00 0.00 O ATOM 1083 CB ASP A 70 10.998 17.581 -7.296 1.00 0.00 C ATOM 1084 CG ASP A 70 11.558 16.374 -8.022 1.00 0.00 C ATOM 1085 OD1 ASP A 70 10.891 15.318 -8.020 1.00 0.00 O ATOM 1086 OD2 ASP A 70 12.662 16.486 -8.593 1.00 0.00 O ATOM 0 H ASP A 70 10.518 15.232 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 70 9.694 18.049 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.622 18.298 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.800 18.075 -6.747 1.00 0.00 H new ATOM 1091 N SER A 71 7.667 16.214 -6.462 1.00 0.00 N ATOM 1092 CA SER A 71 6.398 15.869 -7.092 1.00 0.00 C ATOM 1093 C SER A 71 5.327 16.902 -6.758 1.00 0.00 C ATOM 1094 O SER A 71 5.605 17.917 -6.119 1.00 0.00 O ATOM 1095 CB SER A 71 5.942 14.480 -6.640 1.00 0.00 C ATOM 1096 OG SER A 71 6.594 13.463 -7.379 1.00 0.00 O ATOM 0 H SER A 71 7.773 15.866 -5.509 1.00 0.00 H new ATOM 0 HA SER A 71 6.546 15.862 -8.172 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.151 14.353 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.863 14.390 -6.765 1.00 0.00 H new ATOM 0 HG SER A 71 5.949 13.025 -7.973 1.00 0.00 H new ATOM 1102 N SER A 72 4.100 16.636 -7.196 1.00 0.00 N ATOM 1103 CA SER A 72 2.986 17.544 -6.948 1.00 0.00 C ATOM 1104 C SER A 72 1.789 16.791 -6.376 1.00 0.00 C ATOM 1105 O SER A 72 1.647 15.579 -6.542 1.00 0.00 O ATOM 1106 CB SER A 72 2.585 18.257 -8.241 1.00 0.00 C ATOM 1107 OG SER A 72 3.438 19.358 -8.502 1.00 0.00 O ATOM 0 H SER A 72 3.852 15.799 -7.724 1.00 0.00 H new ATOM 0 HA SER A 72 3.309 18.286 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.626 17.556 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.554 18.602 -8.165 1.00 0.00 H new ATOM 0 HG SER A 72 3.162 19.796 -9.334 1.00 0.00 H new ATOM 1113 N PRO A 73 0.904 17.526 -5.685 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.297 16.950 -5.074 1.00 0.00 C ATOM 1115 C PRO A 73 -1.324 16.514 -6.114 1.00 0.00 C ATOM 1116 O PRO A 73 -1.812 15.384 -6.082 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.850 18.098 -4.226 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.338 19.334 -4.883 1.00 0.00 C ATOM 1119 CD PRO A 73 1.009 18.975 -5.447 1.00 0.00 C ATOM 0 HA PRO A 73 -0.071 16.050 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.940 18.084 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.508 18.028 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.015 19.667 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.256 20.151 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.217 19.519 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.813 19.210 -4.749 1.00 0.00 H new ATOM 1127 N SER A 74 -1.647 17.416 -7.035 1.00 0.00 N ATOM 1128 CA SER A 74 -2.618 17.125 -8.083 1.00 0.00 C ATOM 1129 C SER A 74 -2.125 15.996 -8.982 1.00 0.00 C ATOM 1130 O SER A 74 -2.910 15.164 -9.438 1.00 0.00 O ATOM 1131 CB SER A 74 -2.888 18.378 -8.919 1.00 0.00 C ATOM 1132 OG SER A 74 -2.806 19.549 -8.125 1.00 0.00 O ATOM 0 H SER A 74 -1.250 18.355 -7.077 1.00 0.00 H new ATOM 0 HA SER A 74 -3.546 16.808 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.167 18.437 -9.735 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.877 18.311 -9.372 1.00 0.00 H new ATOM 0 HG SER A 74 -2.981 20.335 -8.683 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.820 15.974 -9.232 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.222 14.947 -10.078 1.00 0.00 C ATOM 1140 C GLN A 75 -0.178 13.605 -9.355 1.00 0.00 C ATOM 1141 O GLN A 75 -0.065 12.553 -9.985 1.00 0.00 O ATOM 1142 CB GLN A 75 1.189 15.360 -10.498 1.00 0.00 C ATOM 1143 CG GLN A 75 1.223 16.596 -11.382 1.00 0.00 C ATOM 1144 CD GLN A 75 1.030 16.269 -12.850 1.00 0.00 C ATOM 1145 OE1 GLN A 75 1.765 15.461 -13.419 1.00 0.00 O ATOM 1146 NE2 GLN A 75 0.038 16.895 -13.471 1.00 0.00 N ATOM 0 H GLN A 75 -0.157 16.655 -8.861 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.841 14.839 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.785 15.546 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.659 14.531 -11.028 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.444 17.288 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.177 17.107 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.546 17.557 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.140 16.714 -14.459 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.268 13.648 -8.030 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.239 12.436 -7.222 1.00 0.00 C ATOM 1157 C ALA A 76 -1.631 11.824 -7.101 1.00 0.00 C ATOM 1158 O ALA A 76 -1.773 10.619 -6.896 1.00 0.00 O ATOM 1159 CB ALA A 76 0.330 12.734 -5.842 1.00 0.00 C ATOM 0 H ALA A 76 -0.362 14.510 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 76 0.406 11.712 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.346 11.819 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.345 13.119 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.292 13.478 -5.345 1.00 0.00 H new ATOM 1165 N MET A 77 -2.654 12.662 -7.228 1.00 0.00 N ATOM 1166 CA MET A 77 -4.035 12.203 -7.134 1.00 0.00 C ATOM 1167 C MET A 77 -4.467 11.513 -8.424 1.00 0.00 C ATOM 1168 O MET A 77 -5.276 10.585 -8.400 1.00 0.00 O ATOM 1169 CB MET A 77 -4.967 13.378 -6.833 1.00 0.00 C ATOM 1170 CG MET A 77 -4.849 13.897 -5.409 1.00 0.00 C ATOM 1171 SD MET A 77 -6.143 15.082 -4.993 1.00 0.00 S ATOM 1172 CE MET A 77 -5.161 16.492 -4.489 1.00 0.00 C ATOM 0 H MET A 77 -2.553 13.663 -7.396 1.00 0.00 H new ATOM 0 HA MET A 77 -4.097 11.482 -6.319 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.750 14.190 -7.526 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.997 13.070 -7.015 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.894 13.057 -4.715 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.875 14.368 -5.277 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.821 17.310 -4.201 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.535 16.215 -3.641 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.529 16.810 -5.318 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.924 11.972 -9.546 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.256 11.399 -10.846 1.00 0.00 C ATOM 1184 C GLN A 78 -3.922 9.912 -10.886 1.00 0.00 C ATOM 1185 O GLN A 78 -4.748 9.092 -11.286 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.504 12.133 -11.957 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.931 13.582 -12.127 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.721 14.091 -13.540 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.716 13.782 -14.180 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.672 14.875 -14.034 1.00 0.00 N ATOM 0 H GLN A 78 -3.252 12.739 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.328 11.516 -11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.436 12.101 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.657 11.605 -12.898 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.984 13.680 -11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.369 14.206 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.488 15.105 -13.468 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.586 15.247 -14.980 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.707 9.571 -10.468 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.265 8.182 -10.458 1.00 0.00 C ATOM 1201 C GLU A 79 -2.955 7.399 -9.345 1.00 0.00 C ATOM 1202 O GLU A 79 -3.259 6.216 -9.499 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.746 8.108 -10.283 1.00 0.00 C ATOM 1204 CG GLU A 79 0.030 8.728 -11.432 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.308 8.101 -12.771 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.434 8.326 -13.263 1.00 0.00 O ATOM 1207 OE2 GLU A 79 0.551 7.385 -13.326 1.00 0.00 O ATOM 0 H GLU A 79 -2.012 10.237 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.536 7.735 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.471 8.611 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.451 7.064 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.180 9.797 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.098 8.620 -11.244 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.198 8.068 -8.223 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.850 7.436 -7.082 1.00 0.00 C ATOM 1216 C TYR A 80 -5.280 7.033 -7.426 1.00 0.00 C ATOM 1217 O TYR A 80 -5.825 6.087 -6.856 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.849 8.381 -5.880 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.549 7.815 -4.665 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.936 7.746 -4.608 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.825 7.352 -3.574 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.580 7.231 -3.500 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.461 6.834 -2.462 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.838 6.775 -2.430 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.476 6.261 -1.324 1.00 0.00 O ATOM 0 H TYR A 80 -2.953 9.048 -8.079 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.290 6.536 -6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.819 8.620 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.331 9.317 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.520 8.101 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.746 7.398 -3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.659 7.186 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.883 6.477 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.809 5.984 -0.661 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.883 7.758 -8.362 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.250 7.476 -8.784 1.00 0.00 C ATOM 1237 C ILE A 81 -7.274 6.486 -9.944 1.00 0.00 C ATOM 1238 O ILE A 81 -7.751 5.361 -9.803 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.985 8.761 -9.206 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.456 9.534 -7.972 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.163 8.426 -10.108 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.509 11.031 -8.180 1.00 0.00 C ATOM 0 H ILE A 81 -5.447 8.545 -8.843 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.761 7.040 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.292 9.391 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.447 9.180 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.788 9.315 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.672 9.345 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.804 7.913 -11.000 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.858 7.779 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.851 11.514 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.515 11.398 -8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.199 11.261 -8.991 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.754 6.913 -11.090 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.712 6.063 -12.273 1.00 0.00 C ATOM 1256 C ALA A 82 -6.533 4.598 -11.891 1.00 0.00 C ATOM 1257 O ALA A 82 -7.333 3.744 -12.273 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.593 6.508 -13.204 1.00 0.00 C ATOM 0 H ALA A 82 -6.356 7.843 -11.224 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.664 6.162 -12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.574 5.864 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.765 7.539 -13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.638 6.440 -12.683 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.477 4.313 -11.135 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.193 2.950 -10.701 1.00 0.00 C ATOM 1266 C VAL A 83 -6.458 2.256 -10.208 1.00 0.00 C ATOM 1267 O VAL A 83 -6.847 1.210 -10.728 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.138 2.928 -9.579 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.493 3.930 -8.491 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.005 1.526 -9.002 1.00 0.00 C ATOM 0 H VAL A 83 -4.804 5.008 -10.811 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.803 2.416 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.176 3.215 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.736 3.900 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.533 4.932 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.465 3.677 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.256 1.528 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.964 1.208 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.700 0.836 -9.789 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.096 2.845 -9.202 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.319 2.284 -8.640 1.00 0.00 C ATOM 1282 C VAL A 84 -9.324 1.946 -9.735 1.00 0.00 C ATOM 1283 O VAL A 84 -10.176 1.074 -9.565 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.974 3.255 -7.639 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.912 4.017 -6.861 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.907 4.214 -8.362 1.00 0.00 C ATOM 0 H VAL A 84 -6.787 3.710 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.036 1.371 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.564 2.675 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.394 4.698 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.287 3.312 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.293 4.588 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.361 4.893 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.341 4.789 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.688 3.648 -8.870 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.218 2.643 -10.862 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.116 2.417 -11.989 1.00 0.00 C ATOM 1298 C LYS A 85 -9.669 1.210 -12.807 1.00 0.00 C ATOM 1299 O LYS A 85 -10.491 0.504 -13.391 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.170 3.659 -12.881 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.446 4.944 -12.119 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.482 6.146 -13.047 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.766 6.183 -13.862 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.847 7.401 -14.715 1.00 0.00 N ATOM 0 H LYS A 85 -8.519 3.369 -11.019 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.112 2.217 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.222 3.757 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.944 3.521 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.398 4.860 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.676 5.091 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.395 7.061 -12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.624 6.114 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.822 5.295 -14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.624 6.153 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.736 7.389 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.819 8.249 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.043 7.417 -15.374 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.361 0.977 -12.844 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.804 -0.147 -13.588 1.00 0.00 C ATOM 1320 C LYS A 86 -8.183 -1.473 -12.935 1.00 0.00 C ATOM 1321 O LYS A 86 -8.256 -2.506 -13.602 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.281 -0.024 -13.672 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.807 0.927 -14.757 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.883 2.375 -14.301 1.00 0.00 C ATOM 1325 CE LYS A 86 -7.150 3.051 -14.802 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.222 3.062 -16.289 1.00 0.00 N ATOM 0 H LYS A 86 -7.667 1.552 -12.367 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.220 -0.127 -14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.899 0.316 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.855 -1.011 -13.853 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.780 0.684 -15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.416 0.794 -15.651 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.853 2.417 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.011 2.918 -14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.021 2.533 -14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.187 4.075 -14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.722 3.917 -16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.260 3.057 -16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.735 2.219 -16.618 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.424 -1.436 -11.629 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.797 -2.635 -10.887 1.00 0.00 C ATOM 1342 C LEU A 87 -10.305 -2.858 -10.934 1.00 0.00 C ATOM 1343 O LEU A 87 -10.771 -3.970 -11.180 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.331 -2.525 -9.434 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.037 -1.744 -9.202 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.021 -1.141 -7.806 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.827 -2.643 -9.410 1.00 0.00 C ATOM 0 H LEU A 87 -8.368 -0.590 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.308 -3.489 -11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.125 -2.055 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.200 -3.532 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.990 -0.932 -9.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.093 -0.589 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.868 -0.464 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.091 -1.937 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.915 -2.071 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.868 -3.476 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.830 -3.027 -10.430 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.062 -1.792 -10.698 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.519 -1.870 -10.716 1.00 0.00 C ATOM 1361 C ASP A 88 -13.101 -0.906 -11.746 1.00 0.00 C ATOM 1362 O ASP A 88 -13.377 0.258 -11.456 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.085 -1.558 -9.330 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.570 -1.848 -9.233 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.349 -1.200 -9.961 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -14.952 -2.723 -8.427 1.00 0.00 O ATOM 0 H ASP A 88 -10.692 -0.864 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.801 -2.885 -10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.553 -2.147 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.906 -0.509 -9.096 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.292 -1.401 -12.978 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.843 -0.600 -14.075 1.00 0.00 C ATOM 1373 C PRO A 89 -15.319 -0.274 -13.871 1.00 0.00 C ATOM 1374 O PRO A 89 -15.929 0.420 -14.683 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.659 -1.501 -15.299 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.630 -2.885 -14.749 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.986 -2.779 -13.394 1.00 0.00 C ATOM 0 HA PRO A 89 -13.348 0.367 -14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.475 -1.375 -16.010 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.736 -1.266 -15.829 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.637 -3.295 -14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.063 -3.552 -15.399 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.395 -3.510 -12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.911 -2.954 -13.445 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.886 -0.779 -12.780 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.286 -0.530 -12.489 1.00 0.00 C ATOM 1387 C GLY A 90 -17.476 0.420 -11.323 1.00 0.00 C ATOM 1388 O GLY A 90 -18.291 0.169 -10.436 1.00 0.00 O ATOM 0 H GLY A 90 -15.401 -1.356 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.770 -0.116 -13.374 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.782 -1.475 -12.268 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.720 1.512 -11.324 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.808 2.502 -10.256 1.00 0.00 C ATOM 1394 C TRP A 91 -17.373 3.818 -10.779 1.00 0.00 C ATOM 1395 O TRP A 91 -16.729 4.512 -11.565 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.430 2.736 -9.635 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.381 3.931 -8.732 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.333 4.319 -7.833 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.325 4.894 -8.642 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.933 5.465 -7.189 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.705 5.838 -7.667 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.096 5.050 -9.288 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.899 6.920 -7.326 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.297 6.125 -8.949 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.700 7.049 -7.975 1.00 0.00 C ATOM 0 H TRP A 91 -16.040 1.734 -12.051 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.483 2.116 -9.492 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.139 1.850 -9.070 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.697 2.861 -10.432 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.264 3.801 -7.654 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.464 5.958 -6.471 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.776 4.343 -10.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.208 7.633 -6.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.346 6.256 -9.443 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -12.053 7.878 -7.732 1.00 0.00 H new