USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HD1:sc= -2.62 K(o=-5.7,f=-6.9) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -3.08 K(o=-5.7,f=-6.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.58 F(o=-2.8,f=-1.6) USER MOD Single : A 9 SER OG : rot 170:sc= -0.419 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.91 X(o=-0.91,f=-0.58) USER MOD Single : A 15 THR OG1 : rot -97:sc= 0.728 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -120:sc= 0.0344 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 117:sc= 1.6 USER MOD Single : A 39 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.32) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.375 (180deg=0.146) USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00226) USER MOD Single : A 99 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= 0.00498 (180deg=-0.0403) USER MOD Single : A 107 LYS NZ :NH3+ 168:sc=-0.00282 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.435 -4.318 -1.917 1.00 0.00 N ATOM 30 CA PHE A 3 3.164 -5.545 -1.176 1.00 0.00 C ATOM 31 C PHE A 3 4.338 -6.513 -1.279 1.00 0.00 C ATOM 32 O PHE A 3 5.124 -6.457 -2.225 1.00 0.00 O ATOM 33 CB PHE A 3 1.891 -6.212 -1.703 1.00 0.00 C ATOM 34 CG PHE A 3 1.297 -7.208 -0.748 1.00 0.00 C ATOM 35 CD1 PHE A 3 0.362 -6.812 0.194 1.00 0.00 C ATOM 36 CD2 PHE A 3 1.675 -8.540 -0.792 1.00 0.00 C ATOM 37 CE1 PHE A 3 -0.187 -7.725 1.074 1.00 0.00 C ATOM 38 CE2 PHE A 3 1.130 -9.458 0.085 1.00 0.00 C ATOM 39 CZ PHE A 3 0.198 -9.050 1.020 1.00 0.00 C ATOM 0 HA PHE A 3 3.023 -5.284 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.150 -5.442 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.116 -6.713 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.058 -5.777 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.404 -8.864 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.916 -7.403 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.432 -10.494 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.228 -9.766 1.707 1.00 0.00 H new ATOM 49 N LYS A 4 4.452 -7.402 -0.297 1.00 0.00 N ATOM 50 CA LYS A 4 5.529 -8.384 -0.275 1.00 0.00 C ATOM 51 C LYS A 4 5.000 -9.764 0.103 1.00 0.00 C ATOM 52 O LYS A 4 4.086 -9.887 0.919 1.00 0.00 O ATOM 53 CB LYS A 4 6.617 -7.956 0.713 1.00 0.00 C ATOM 54 CG LYS A 4 7.624 -9.051 1.022 1.00 0.00 C ATOM 55 CD LYS A 4 8.410 -9.450 -0.216 1.00 0.00 C ATOM 56 CE LYS A 4 9.781 -8.792 -0.241 1.00 0.00 C ATOM 57 NZ LYS A 4 10.450 -8.956 -1.562 1.00 0.00 N ATOM 0 H LYS A 4 3.811 -7.462 0.494 1.00 0.00 H new ATOM 0 HA LYS A 4 5.956 -8.439 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.145 -7.093 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.146 -7.634 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.311 -8.707 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.105 -9.922 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.525 -10.534 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.853 -9.167 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.679 -7.731 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.406 -9.226 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.382 -8.494 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.570 -9.968 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.866 -8.520 -2.304 1.00 0.00 H new ATOM 71 N PHE A 5 5.580 -10.799 -0.495 1.00 0.00 N ATOM 72 CA PHE A 5 5.167 -12.170 -0.221 1.00 0.00 C ATOM 73 C PHE A 5 5.158 -12.446 1.280 1.00 0.00 C ATOM 74 O PHE A 5 6.208 -12.490 1.920 1.00 0.00 O ATOM 75 CB PHE A 5 6.099 -13.157 -0.927 1.00 0.00 C ATOM 76 CG PHE A 5 6.324 -12.836 -2.377 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.269 -12.452 -3.187 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.593 -12.919 -2.929 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.473 -12.157 -4.522 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.804 -12.624 -4.263 1.00 0.00 C ATOM 81 CZ PHE A 5 6.743 -12.242 -5.060 1.00 0.00 C ATOM 0 H PHE A 5 6.338 -10.714 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 5 4.154 -12.301 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.060 -13.169 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.681 -14.161 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.275 -12.382 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.426 -13.217 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.641 -11.861 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.797 -12.692 -4.681 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.906 -12.010 -6.102 1.00 0.00 H new ATOM 91 N GLY A 6 3.964 -12.631 1.835 1.00 0.00 N ATOM 92 CA GLY A 6 3.840 -12.900 3.255 1.00 0.00 C ATOM 93 C GLY A 6 4.540 -14.179 3.667 1.00 0.00 C ATOM 94 O GLY A 6 5.304 -14.755 2.892 1.00 0.00 O ATOM 0 H GLY A 6 3.081 -12.599 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.257 -12.064 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.784 -12.967 3.518 1.00 0.00 H new ATOM 98 N LYS A 7 4.282 -14.626 4.892 1.00 0.00 N ATOM 99 CA LYS A 7 4.894 -15.845 5.407 1.00 0.00 C ATOM 100 C LYS A 7 4.480 -17.055 4.575 1.00 0.00 C ATOM 101 O LYS A 7 5.280 -17.957 4.334 1.00 0.00 O ATOM 102 CB LYS A 7 4.499 -16.059 6.870 1.00 0.00 C ATOM 103 CG LYS A 7 2.998 -16.134 7.090 1.00 0.00 C ATOM 104 CD LYS A 7 2.533 -17.568 7.278 1.00 0.00 C ATOM 105 CE LYS A 7 3.036 -18.150 8.590 1.00 0.00 C ATOM 106 NZ LYS A 7 2.309 -19.396 8.959 1.00 0.00 N ATOM 0 H LYS A 7 3.653 -14.162 5.547 1.00 0.00 H new ATOM 0 HA LYS A 7 5.976 -15.735 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.957 -16.980 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.906 -15.245 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.728 -15.545 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.482 -15.692 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.444 -17.604 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.888 -18.179 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.102 -18.362 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.918 -17.412 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.681 -19.761 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.295 -19.189 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.442 -20.109 8.214 1.00 0.00 H new ATOM 120 N ASN A 8 3.225 -17.065 4.137 1.00 0.00 N ATOM 121 CA ASN A 8 2.705 -18.163 3.331 1.00 0.00 C ATOM 122 C ASN A 8 3.185 -18.053 1.887 1.00 0.00 C ATOM 123 O ASN A 8 3.549 -19.051 1.265 1.00 0.00 O ATOM 124 CB ASN A 8 1.176 -18.175 3.373 1.00 0.00 C ATOM 125 CG ASN A 8 0.634 -17.985 4.776 1.00 0.00 C ATOM 126 OD1 ASN A 8 0.461 -16.732 5.179 1.00 0.00 O flip ATOM 127 ND2 ASN A 8 0.373 -18.955 5.489 1.00 0.00 N flip ATOM 0 H ASN A 8 2.549 -16.325 4.327 1.00 0.00 H new ATOM 0 HA ASN A 8 3.080 -19.097 3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.792 -17.385 2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.812 -19.120 2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.522 -19.901 5.138 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.008 -18.812 6.431 1.00 0.00 H new ATOM 134 N SER A 9 3.183 -16.833 1.360 1.00 0.00 N ATOM 135 CA SER A 9 3.614 -16.592 -0.012 1.00 0.00 C ATOM 136 C SER A 9 5.104 -16.882 -0.171 1.00 0.00 C ATOM 137 O SER A 9 5.507 -17.646 -1.047 1.00 0.00 O ATOM 138 CB SER A 9 3.319 -15.146 -0.415 1.00 0.00 C ATOM 139 OG SER A 9 1.923 -14.903 -0.457 1.00 0.00 O ATOM 0 H SER A 9 2.888 -15.996 1.862 1.00 0.00 H new ATOM 0 HA SER A 9 3.058 -17.264 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.789 -14.464 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.757 -14.941 -1.392 1.00 0.00 H new ATOM 0 HG SER A 9 1.761 -13.942 -0.557 1.00 0.00 H new ATOM 145 N GLU A 10 5.915 -16.265 0.683 1.00 0.00 N ATOM 146 CA GLU A 10 7.360 -16.456 0.636 1.00 0.00 C ATOM 147 C GLU A 10 7.713 -17.941 0.637 1.00 0.00 C ATOM 148 O GLU A 10 8.591 -18.383 -0.104 1.00 0.00 O ATOM 149 CB GLU A 10 8.027 -15.761 1.825 1.00 0.00 C ATOM 150 CG GLU A 10 9.501 -16.099 1.978 1.00 0.00 C ATOM 151 CD GLU A 10 10.251 -16.051 0.661 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.024 -15.101 -0.117 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.064 -16.964 0.409 1.00 0.00 O ATOM 0 H GLU A 10 5.596 -15.630 1.415 1.00 0.00 H new ATOM 0 HA GLU A 10 7.730 -16.013 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.920 -14.682 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.502 -16.039 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.959 -15.401 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.598 -17.095 2.411 1.00 0.00 H new ATOM 160 N LYS A 11 7.022 -18.707 1.474 1.00 0.00 N ATOM 161 CA LYS A 11 7.259 -20.142 1.573 1.00 0.00 C ATOM 162 C LYS A 11 6.650 -20.877 0.384 1.00 0.00 C ATOM 163 O LYS A 11 7.141 -21.930 -0.023 1.00 0.00 O ATOM 164 CB LYS A 11 6.674 -20.688 2.878 1.00 0.00 C ATOM 165 CG LYS A 11 5.305 -21.324 2.711 1.00 0.00 C ATOM 166 CD LYS A 11 5.415 -22.794 2.341 1.00 0.00 C ATOM 167 CE LYS A 11 4.353 -23.194 1.328 1.00 0.00 C ATOM 168 NZ LYS A 11 3.201 -23.881 1.974 1.00 0.00 N ATOM 0 H LYS A 11 6.292 -18.357 2.095 1.00 0.00 H new ATOM 0 HA LYS A 11 8.336 -20.308 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.360 -21.426 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.603 -19.876 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.740 -21.222 3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.748 -20.794 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.405 -22.994 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.312 -23.405 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.999 -22.307 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.795 -23.852 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.499 -24.137 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.534 -24.742 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.763 -23.245 2.670 1.00 0.00 H new ATOM 182 N GLN A 12 5.581 -20.314 -0.170 1.00 0.00 N ATOM 183 CA GLN A 12 4.907 -20.918 -1.314 1.00 0.00 C ATOM 184 C GLN A 12 5.837 -20.985 -2.520 1.00 0.00 C ATOM 185 O GLN A 12 6.014 -22.045 -3.123 1.00 0.00 O ATOM 186 CB GLN A 12 3.649 -20.123 -1.668 1.00 0.00 C ATOM 187 CG GLN A 12 2.384 -20.666 -1.023 1.00 0.00 C ATOM 188 CD GLN A 12 1.366 -19.582 -0.729 1.00 0.00 C ATOM 189 OE1 GLN A 12 0.849 -19.485 0.384 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.073 -18.759 -1.729 1.00 0.00 N ATOM 0 H GLN A 12 5.163 -19.442 0.154 1.00 0.00 H new ATOM 0 HA GLN A 12 4.622 -21.934 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.787 -19.086 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.523 -20.122 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.936 -21.410 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.644 -21.176 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.526 -18.876 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.395 -18.010 -1.591 1.00 0.00 H new ATOM 199 N LEU A 13 6.428 -19.848 -2.869 1.00 0.00 N ATOM 200 CA LEU A 13 7.341 -19.777 -4.005 1.00 0.00 C ATOM 201 C LEU A 13 8.690 -20.399 -3.660 1.00 0.00 C ATOM 202 O LEU A 13 9.418 -20.854 -4.541 1.00 0.00 O ATOM 203 CB LEU A 13 7.533 -18.323 -4.440 1.00 0.00 C ATOM 204 CG LEU A 13 6.296 -17.620 -5.000 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.563 -18.527 -5.976 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.371 -17.190 -3.872 1.00 0.00 C ATOM 0 H LEU A 13 6.292 -18.962 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 13 6.902 -20.341 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.893 -17.753 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.317 -18.292 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 13 6.620 -16.729 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.685 -18.010 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.227 -18.785 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.251 -19.437 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.496 -16.691 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.054 -18.067 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.899 -16.503 -3.210 1.00 0.00 H new ATOM 218 N ALA A 14 9.014 -20.418 -2.371 1.00 0.00 N ATOM 219 CA ALA A 14 10.273 -20.989 -1.909 1.00 0.00 C ATOM 220 C ALA A 14 10.232 -22.513 -1.947 1.00 0.00 C ATOM 221 O ALA A 14 11.252 -23.177 -1.760 1.00 0.00 O ATOM 222 CB ALA A 14 10.589 -20.502 -0.502 1.00 0.00 C ATOM 0 H ALA A 14 8.422 -20.045 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 14 11.063 -20.656 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.532 -20.936 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.671 -19.415 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.791 -20.805 0.176 1.00 0.00 H new ATOM 228 N THR A 15 9.045 -23.062 -2.188 1.00 0.00 N ATOM 229 CA THR A 15 8.871 -24.508 -2.248 1.00 0.00 C ATOM 230 C THR A 15 8.723 -24.984 -3.688 1.00 0.00 C ATOM 231 O THR A 15 8.698 -26.186 -3.956 1.00 0.00 O ATOM 232 CB THR A 15 7.639 -24.959 -1.441 1.00 0.00 C ATOM 233 OG1 THR A 15 6.616 -23.958 -1.508 1.00 0.00 O ATOM 234 CG2 THR A 15 8.008 -25.217 0.012 1.00 0.00 C ATOM 0 H THR A 15 8.191 -22.527 -2.345 1.00 0.00 H new ATOM 0 HA THR A 15 9.765 -24.953 -1.811 1.00 0.00 H new ATOM 0 HB THR A 15 7.268 -25.887 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.656 -23.395 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.122 -25.534 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.765 -25.999 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.402 -24.302 0.455 1.00 0.00 H new ATOM 242 N VAL A 16 8.625 -24.035 -4.614 1.00 0.00 N ATOM 243 CA VAL A 16 8.481 -24.359 -6.028 1.00 0.00 C ATOM 244 C VAL A 16 9.698 -25.117 -6.545 1.00 0.00 C ATOM 245 O VAL A 16 10.832 -24.834 -6.157 1.00 0.00 O ATOM 246 CB VAL A 16 8.283 -23.089 -6.877 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.614 -22.389 -7.110 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.614 -23.431 -8.199 1.00 0.00 C ATOM 0 H VAL A 16 8.643 -23.036 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 16 7.597 -24.991 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 16 7.631 -22.407 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.454 -21.494 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.050 -22.109 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.292 -23.062 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.482 -22.522 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.239 -24.132 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.641 -23.884 -8.008 1.00 0.00 H new ATOM 258 N LYS A 17 9.457 -26.084 -7.424 1.00 0.00 N ATOM 259 CA LYS A 17 10.533 -26.884 -7.997 1.00 0.00 C ATOM 260 C LYS A 17 11.364 -26.059 -8.974 1.00 0.00 C ATOM 261 O LYS A 17 12.569 -25.877 -8.801 1.00 0.00 O ATOM 262 CB LYS A 17 9.959 -28.111 -8.709 1.00 0.00 C ATOM 263 CG LYS A 17 10.450 -29.431 -8.138 1.00 0.00 C ATOM 264 CD LYS A 17 9.691 -29.808 -6.876 1.00 0.00 C ATOM 265 CE LYS A 17 10.390 -30.928 -6.120 1.00 0.00 C ATOM 266 NZ LYS A 17 11.494 -30.414 -5.263 1.00 0.00 N ATOM 0 H LYS A 17 8.525 -26.333 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 17 11.181 -27.212 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.871 -28.080 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.220 -28.062 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.332 -30.217 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.515 -29.359 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.599 -28.934 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.680 -30.120 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.665 -31.456 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.789 -31.652 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.945 -31.208 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.199 -29.932 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.110 -29.742 -4.568 1.00 0.00 H new ATOM 280 N PRO A 18 10.707 -25.545 -10.024 1.00 0.00 N ATOM 281 CA PRO A 18 11.366 -24.728 -11.048 1.00 0.00 C ATOM 282 C PRO A 18 11.786 -23.362 -10.518 1.00 0.00 C ATOM 283 O PRO A 18 11.820 -23.140 -9.308 1.00 0.00 O ATOM 284 CB PRO A 18 10.291 -24.576 -12.127 1.00 0.00 C ATOM 285 CG PRO A 18 9.000 -24.741 -11.401 1.00 0.00 C ATOM 286 CD PRO A 18 9.270 -25.721 -10.293 1.00 0.00 C ATOM 0 HA PRO A 18 12.287 -25.189 -11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.351 -23.601 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.405 -25.328 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.652 -23.788 -11.003 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.222 -25.111 -12.068 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.667 -25.506 -9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.040 -26.743 -10.595 1.00 0.00 H new ATOM 294 N GLU A 19 12.104 -22.450 -11.431 1.00 0.00 N ATOM 295 CA GLU A 19 12.522 -21.105 -11.053 1.00 0.00 C ATOM 296 C GLU A 19 11.483 -20.072 -11.481 1.00 0.00 C ATOM 297 O GLU A 19 11.765 -18.874 -11.530 1.00 0.00 O ATOM 298 CB GLU A 19 13.877 -20.772 -11.682 1.00 0.00 C ATOM 299 CG GLU A 19 13.981 -21.166 -13.146 1.00 0.00 C ATOM 300 CD GLU A 19 14.534 -22.565 -13.336 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.416 -22.965 -12.547 1.00 0.00 O ATOM 302 OE2 GLU A 19 14.086 -23.259 -14.272 1.00 0.00 O ATOM 0 H GLU A 19 12.080 -22.618 -12.437 1.00 0.00 H new ATOM 0 HA GLU A 19 12.616 -21.073 -9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.058 -19.701 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.663 -21.278 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.995 -21.104 -13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.621 -20.453 -13.666 1.00 0.00 H new ATOM 309 N LEU A 20 10.280 -20.545 -11.789 1.00 0.00 N ATOM 310 CA LEU A 20 9.198 -19.664 -12.213 1.00 0.00 C ATOM 311 C LEU A 20 8.990 -18.534 -11.210 1.00 0.00 C ATOM 312 O LEU A 20 8.600 -17.427 -11.580 1.00 0.00 O ATOM 313 CB LEU A 20 7.901 -20.459 -12.379 1.00 0.00 C ATOM 314 CG LEU A 20 7.233 -20.928 -11.086 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.278 -19.867 -10.562 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.500 -22.243 -11.312 1.00 0.00 C ATOM 0 H LEU A 20 10.030 -21.533 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 20 9.474 -19.227 -13.172 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.189 -19.844 -12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.110 -21.334 -12.995 1.00 0.00 H new ATOM 0 HG LEU A 20 8.008 -21.090 -10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.812 -20.219 -9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.829 -18.948 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.507 -19.672 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.030 -22.562 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.735 -22.106 -12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.209 -23.003 -11.640 1.00 0.00 H new ATOM 328 N GLN A 21 9.256 -18.821 -9.940 1.00 0.00 N ATOM 329 CA GLN A 21 9.100 -17.828 -8.883 1.00 0.00 C ATOM 330 C GLN A 21 9.981 -16.612 -9.145 1.00 0.00 C ATOM 331 O GLN A 21 9.648 -15.494 -8.752 1.00 0.00 O ATOM 332 CB GLN A 21 9.444 -18.440 -7.524 1.00 0.00 C ATOM 333 CG GLN A 21 10.842 -19.035 -7.462 1.00 0.00 C ATOM 334 CD GLN A 21 11.870 -18.055 -6.933 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.532 -16.950 -6.510 1.00 0.00 O ATOM 336 NE2 GLN A 21 13.136 -18.456 -6.955 1.00 0.00 N ATOM 0 H GLN A 21 9.581 -19.733 -9.618 1.00 0.00 H new ATOM 0 HA GLN A 21 8.059 -17.504 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.350 -17.673 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.716 -19.217 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.828 -19.920 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.138 -19.363 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.372 -19.381 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.872 -17.839 -6.612 1.00 0.00 H new ATOM 345 N LYS A 22 11.109 -16.837 -9.811 1.00 0.00 N ATOM 346 CA LYS A 22 12.040 -15.760 -10.127 1.00 0.00 C ATOM 347 C LYS A 22 11.322 -14.606 -10.821 1.00 0.00 C ATOM 348 O LYS A 22 11.372 -13.465 -10.362 1.00 0.00 O ATOM 349 CB LYS A 22 13.171 -16.280 -11.017 1.00 0.00 C ATOM 350 CG LYS A 22 14.129 -17.214 -10.299 1.00 0.00 C ATOM 351 CD LYS A 22 15.496 -17.228 -10.962 1.00 0.00 C ATOM 352 CE LYS A 22 16.592 -17.593 -9.972 1.00 0.00 C ATOM 353 NZ LYS A 22 16.807 -19.064 -9.901 1.00 0.00 N ATOM 0 H LYS A 22 11.401 -17.757 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 22 12.462 -15.392 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.739 -16.802 -11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.731 -15.432 -11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.231 -16.903 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.717 -18.223 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.495 -17.943 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.704 -16.248 -11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.522 -17.104 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.329 -17.216 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.561 -19.272 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.927 -19.529 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.083 -19.420 -10.838 1.00 0.00 H new ATOM 367 N VAL A 23 10.652 -14.912 -11.928 1.00 0.00 N ATOM 368 CA VAL A 23 9.922 -13.901 -12.683 1.00 0.00 C ATOM 369 C VAL A 23 8.892 -13.198 -11.806 1.00 0.00 C ATOM 370 O VAL A 23 8.704 -11.986 -11.903 1.00 0.00 O ATOM 371 CB VAL A 23 9.208 -14.518 -13.901 1.00 0.00 C ATOM 372 CG1 VAL A 23 8.034 -13.650 -14.327 1.00 0.00 C ATOM 373 CG2 VAL A 23 10.186 -14.709 -15.050 1.00 0.00 C ATOM 0 H VAL A 23 10.600 -15.852 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 23 10.656 -13.174 -13.031 1.00 0.00 H new ATOM 0 HB VAL A 23 8.821 -15.497 -13.617 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.542 -14.101 -15.188 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.324 -13.569 -13.504 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.394 -12.656 -14.594 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.665 -15.146 -15.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.604 -13.744 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.990 -15.374 -14.736 1.00 0.00 H new ATOM 383 N ALA A 24 8.227 -13.967 -10.951 1.00 0.00 N ATOM 384 CA ALA A 24 7.217 -13.418 -10.054 1.00 0.00 C ATOM 385 C ALA A 24 7.818 -12.365 -9.130 1.00 0.00 C ATOM 386 O ALA A 24 7.306 -11.250 -9.028 1.00 0.00 O ATOM 387 CB ALA A 24 6.572 -14.530 -9.241 1.00 0.00 C ATOM 0 H ALA A 24 8.369 -14.973 -10.860 1.00 0.00 H new ATOM 0 HA ALA A 24 6.451 -12.936 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.820 -14.105 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.099 -15.245 -9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.334 -15.038 -8.650 1.00 0.00 H new ATOM 393 N ARG A 25 8.907 -12.725 -8.459 1.00 0.00 N ATOM 394 CA ARG A 25 9.577 -11.811 -7.541 1.00 0.00 C ATOM 395 C ARG A 25 9.994 -10.530 -8.258 1.00 0.00 C ATOM 396 O ARG A 25 9.632 -9.429 -7.843 1.00 0.00 O ATOM 397 CB ARG A 25 10.803 -12.484 -6.921 1.00 0.00 C ATOM 398 CG ARG A 25 11.302 -11.798 -5.660 1.00 0.00 C ATOM 399 CD ARG A 25 12.240 -12.697 -4.871 1.00 0.00 C ATOM 400 NE ARG A 25 13.534 -12.853 -5.530 1.00 0.00 N ATOM 401 CZ ARG A 25 14.454 -11.896 -5.577 1.00 0.00 C ATOM 402 NH1 ARG A 25 14.225 -10.722 -5.005 1.00 0.00 N ATOM 403 NH2 ARG A 25 15.608 -12.113 -6.196 1.00 0.00 N ATOM 0 H ARG A 25 9.344 -13.643 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 25 8.875 -11.552 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.559 -13.521 -6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.607 -12.503 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.818 -10.876 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.453 -11.519 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.389 -12.280 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.779 -13.676 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 25 13.743 -13.745 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.340 -10.552 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.934 -9.989 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.789 -13.015 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.314 -11.378 -6.232 1.00 0.00 H new ATOM 417 N ARG A 26 10.757 -10.683 -9.335 1.00 0.00 N ATOM 418 CA ARG A 26 11.225 -9.539 -10.108 1.00 0.00 C ATOM 419 C ARG A 26 10.049 -8.730 -10.647 1.00 0.00 C ATOM 420 O ARG A 26 10.069 -7.499 -10.628 1.00 0.00 O ATOM 421 CB ARG A 26 12.110 -10.006 -11.265 1.00 0.00 C ATOM 422 CG ARG A 26 13.026 -8.920 -11.807 1.00 0.00 C ATOM 423 CD ARG A 26 14.333 -9.501 -12.324 1.00 0.00 C ATOM 424 NE ARG A 26 15.135 -10.084 -11.252 1.00 0.00 N ATOM 425 CZ ARG A 26 16.443 -10.297 -11.346 1.00 0.00 C ATOM 426 NH1 ARG A 26 17.092 -9.978 -12.456 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.104 -10.831 -10.326 1.00 0.00 N ATOM 0 H ARG A 26 11.064 -11.588 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 26 11.811 -8.900 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.716 -10.848 -10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.475 -10.371 -12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.521 -8.384 -12.611 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.235 -8.193 -11.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.119 -10.264 -13.073 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.906 -8.718 -12.821 1.00 0.00 H new ATOM 0 HE ARG A 26 14.666 -10.342 -10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.587 -9.568 -13.242 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.096 -10.143 -12.525 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.608 -11.078 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.108 -10.994 -10.399 1.00 0.00 H new ATOM 441 N ALA A 27 9.027 -9.429 -11.129 1.00 0.00 N ATOM 442 CA ALA A 27 7.843 -8.777 -11.672 1.00 0.00 C ATOM 443 C ALA A 27 7.233 -7.814 -10.659 1.00 0.00 C ATOM 444 O ALA A 27 6.816 -6.709 -11.010 1.00 0.00 O ATOM 445 CB ALA A 27 6.816 -9.816 -12.099 1.00 0.00 C ATOM 0 H ALA A 27 8.996 -10.448 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 27 8.146 -8.201 -12.546 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.937 -9.314 -12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.248 -10.462 -12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.527 -10.417 -11.237 1.00 0.00 H new ATOM 451 N LEU A 28 7.184 -8.239 -9.401 1.00 0.00 N ATOM 452 CA LEU A 28 6.624 -7.414 -8.336 1.00 0.00 C ATOM 453 C LEU A 28 7.187 -5.997 -8.392 1.00 0.00 C ATOM 454 O LEU A 28 6.472 -5.025 -8.150 1.00 0.00 O ATOM 455 CB LEU A 28 6.919 -8.039 -6.971 1.00 0.00 C ATOM 456 CG LEU A 28 5.887 -7.774 -5.875 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.696 -9.011 -5.012 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.308 -6.586 -5.022 1.00 0.00 C ATOM 0 H LEU A 28 7.525 -9.150 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 28 5.545 -7.362 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.014 -9.117 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.887 -7.673 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 28 4.935 -7.536 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.958 -8.804 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.349 -9.837 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.644 -9.280 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.562 -6.412 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.272 -6.795 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.393 -5.699 -5.650 1.00 0.00 H new ATOM 470 N GLU A 29 8.472 -5.889 -8.714 1.00 0.00 N ATOM 471 CA GLU A 29 9.130 -4.590 -8.802 1.00 0.00 C ATOM 472 C GLU A 29 9.042 -4.031 -10.219 1.00 0.00 C ATOM 473 O GLU A 29 8.736 -2.855 -10.417 1.00 0.00 O ATOM 474 CB GLU A 29 10.595 -4.706 -8.378 1.00 0.00 C ATOM 475 CG GLU A 29 10.805 -5.558 -7.138 1.00 0.00 C ATOM 476 CD GLU A 29 11.781 -4.935 -6.159 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.820 -4.409 -6.613 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.508 -4.972 -4.942 1.00 0.00 O ATOM 0 H GLU A 29 9.078 -6.684 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 29 8.617 -3.905 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.170 -5.130 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.991 -3.707 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.847 -5.712 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.172 -6.541 -7.435 1.00 0.00 H new ATOM 485 N LEU A 30 9.313 -4.883 -11.203 1.00 0.00 N ATOM 486 CA LEU A 30 9.265 -4.475 -12.602 1.00 0.00 C ATOM 487 C LEU A 30 7.925 -3.827 -12.936 1.00 0.00 C ATOM 488 O LEU A 30 7.872 -2.679 -13.376 1.00 0.00 O ATOM 489 CB LEU A 30 9.502 -5.681 -13.513 1.00 0.00 C ATOM 490 CG LEU A 30 10.910 -6.276 -13.487 1.00 0.00 C ATOM 491 CD1 LEU A 30 11.028 -7.413 -14.490 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.949 -5.201 -13.772 1.00 0.00 C ATOM 0 H LEU A 30 9.568 -5.860 -11.057 1.00 0.00 H new ATOM 0 HA LEU A 30 10.053 -3.741 -12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.794 -6.463 -13.239 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.272 -5.388 -14.537 1.00 0.00 H new ATOM 0 HG LEU A 30 11.095 -6.677 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.037 -7.824 -14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.310 -8.194 -14.241 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.822 -7.037 -15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.945 -5.643 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.766 -4.770 -14.756 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.881 -4.420 -13.015 1.00 0.00 H new ATOM 504 N SER A 31 6.844 -4.570 -12.720 1.00 0.00 N ATOM 505 CA SER A 31 5.504 -4.069 -12.999 1.00 0.00 C ATOM 506 C SER A 31 5.256 -2.749 -12.274 1.00 0.00 C ATOM 507 O SER A 31 5.926 -2.412 -11.298 1.00 0.00 O ATOM 508 CB SER A 31 4.454 -5.099 -12.580 1.00 0.00 C ATOM 509 OG SER A 31 3.450 -4.505 -11.775 1.00 0.00 O ATOM 0 H SER A 31 6.871 -5.521 -12.353 1.00 0.00 H new ATOM 0 HA SER A 31 5.424 -3.895 -14.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.999 -5.541 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.934 -5.909 -12.030 1.00 0.00 H new ATOM 0 HG SER A 31 3.429 -4.945 -10.900 1.00 0.00 H new ATOM 515 N PRO A 32 4.269 -1.983 -12.762 1.00 0.00 N ATOM 516 CA PRO A 32 3.908 -0.689 -12.177 1.00 0.00 C ATOM 517 C PRO A 32 3.251 -0.834 -10.809 1.00 0.00 C ATOM 518 O PRO A 32 3.631 -0.158 -9.852 1.00 0.00 O ATOM 519 CB PRO A 32 2.916 -0.107 -13.187 1.00 0.00 C ATOM 520 CG PRO A 32 2.333 -1.294 -13.873 1.00 0.00 C ATOM 521 CD PRO A 32 3.429 -2.323 -13.923 1.00 0.00 C ATOM 0 HA PRO A 32 4.783 -0.061 -12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.145 0.481 -12.690 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.415 0.554 -13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.467 -1.672 -13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.993 -1.037 -14.876 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.033 -3.336 -13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.991 -2.267 -14.856 1.00 0.00 H new ATOM 529 N TYR A 33 2.265 -1.720 -10.722 1.00 0.00 N ATOM 530 CA TYR A 33 1.554 -1.952 -9.471 1.00 0.00 C ATOM 531 C TYR A 33 1.976 -3.277 -8.842 1.00 0.00 C ATOM 532 O TYR A 33 2.133 -4.283 -9.534 1.00 0.00 O ATOM 533 CB TYR A 33 0.043 -1.947 -9.710 1.00 0.00 C ATOM 534 CG TYR A 33 -0.364 -1.266 -10.997 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.188 0.102 -11.167 1.00 0.00 C ATOM 536 CD2 TYR A 33 -0.926 -1.989 -12.041 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.559 0.729 -12.341 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.299 -1.371 -13.219 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.113 -0.012 -13.364 1.00 0.00 C ATOM 540 OH TYR A 33 -1.485 0.608 -14.535 1.00 0.00 O ATOM 0 H TYR A 33 1.940 -2.289 -11.503 1.00 0.00 H new ATOM 0 HA TYR A 33 1.809 -1.146 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.318 -2.975 -9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.447 -1.448 -8.874 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.246 0.685 -10.368 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.074 -3.053 -11.930 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.416 1.793 -12.457 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.734 -1.949 -14.021 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.857 -0.056 -15.153 1.00 0.00 H new ATOM 550 N ASP A 34 2.158 -3.268 -7.526 1.00 0.00 N ATOM 551 CA ASP A 34 2.560 -4.468 -6.802 1.00 0.00 C ATOM 552 C ASP A 34 1.488 -5.549 -6.903 1.00 0.00 C ATOM 553 O ASP A 34 0.385 -5.300 -7.390 1.00 0.00 O ATOM 554 CB ASP A 34 2.831 -4.136 -5.334 1.00 0.00 C ATOM 555 CG ASP A 34 1.650 -3.461 -4.665 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.249 -2.373 -5.128 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.127 -4.021 -3.679 1.00 0.00 O ATOM 0 H ASP A 34 2.034 -2.443 -6.939 1.00 0.00 H new ATOM 0 HA ASP A 34 3.476 -4.847 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.074 -5.052 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.703 -3.486 -5.267 1.00 0.00 H new ATOM 562 N PHE A 35 1.820 -6.749 -6.440 1.00 0.00 N ATOM 563 CA PHE A 35 0.886 -7.869 -6.479 1.00 0.00 C ATOM 564 C PHE A 35 1.112 -8.808 -5.298 1.00 0.00 C ATOM 565 O PHE A 35 2.244 -9.007 -4.856 1.00 0.00 O ATOM 566 CB PHE A 35 1.036 -8.639 -7.793 1.00 0.00 C ATOM 567 CG PHE A 35 2.201 -9.585 -7.804 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.090 -10.848 -7.245 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.408 -9.213 -8.373 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.162 -11.721 -7.253 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.484 -10.081 -8.384 1.00 0.00 C ATOM 572 CZ PHE A 35 4.360 -11.338 -7.824 1.00 0.00 C ATOM 0 H PHE A 35 2.729 -6.972 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.126 -7.469 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.121 -9.200 -7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.149 -7.927 -8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.156 -11.154 -6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.510 -8.232 -8.814 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.063 -12.702 -6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.420 -9.777 -8.829 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.198 -12.019 -7.833 1.00 0.00 H new ATOM 582 N THR A 36 0.026 -9.382 -4.790 1.00 0.00 N ATOM 583 CA THR A 36 0.104 -10.298 -3.659 1.00 0.00 C ATOM 584 C THR A 36 -0.097 -11.742 -4.106 1.00 0.00 C ATOM 585 O THR A 36 -1.080 -12.063 -4.775 1.00 0.00 O ATOM 586 CB THR A 36 -0.944 -9.955 -2.584 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.844 -10.873 -1.491 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.350 -10.001 -3.165 1.00 0.00 C ATOM 0 H THR A 36 -0.918 -9.229 -5.144 1.00 0.00 H new ATOM 0 HA THR A 36 1.101 -10.188 -3.232 1.00 0.00 H new ATOM 0 HB THR A 36 -0.748 -8.944 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.594 -10.387 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.073 -9.755 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.432 -9.279 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.553 -11.002 -3.547 1.00 0.00 H new ATOM 596 N ILE A 37 0.839 -12.608 -3.732 1.00 0.00 N ATOM 597 CA ILE A 37 0.762 -14.018 -4.094 1.00 0.00 C ATOM 598 C ILE A 37 -0.422 -14.696 -3.414 1.00 0.00 C ATOM 599 O ILE A 37 -0.722 -14.427 -2.250 1.00 0.00 O ATOM 600 CB ILE A 37 2.054 -14.767 -3.716 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.187 -14.389 -4.673 1.00 0.00 C ATOM 602 CG2 ILE A 37 1.819 -16.270 -3.733 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.139 -15.132 -5.990 1.00 0.00 C ATOM 0 H ILE A 37 1.659 -12.358 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 37 0.630 -14.060 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 37 2.344 -14.475 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.145 -13.317 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.143 -14.587 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.741 -16.785 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.038 -16.524 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.509 -16.579 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.971 -14.814 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.212 -16.204 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.199 -14.914 -6.497 1.00 0.00 H new ATOM 615 N VAL A 38 -1.093 -15.578 -4.147 1.00 0.00 N ATOM 616 CA VAL A 38 -2.244 -16.298 -3.615 1.00 0.00 C ATOM 617 C VAL A 38 -1.898 -17.756 -3.334 1.00 0.00 C ATOM 618 O VAL A 38 -2.236 -18.292 -2.279 1.00 0.00 O ATOM 619 CB VAL A 38 -3.439 -16.243 -4.585 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.619 -17.021 -4.024 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.827 -14.800 -4.870 1.00 0.00 C ATOM 0 H VAL A 38 -0.859 -15.812 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.521 -15.807 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.143 -16.708 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.454 -16.971 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.331 -18.062 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.919 -16.589 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.673 -14.780 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.104 -14.307 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.982 -14.278 -5.319 1.00 0.00 H new ATOM 631 N GLN A 39 -1.222 -18.392 -4.286 1.00 0.00 N ATOM 632 CA GLN A 39 -0.831 -19.789 -4.141 1.00 0.00 C ATOM 633 C GLN A 39 0.402 -20.100 -4.984 1.00 0.00 C ATOM 634 O GLN A 39 0.592 -19.529 -6.057 1.00 0.00 O ATOM 635 CB GLN A 39 -1.984 -20.709 -4.545 1.00 0.00 C ATOM 636 CG GLN A 39 -2.740 -21.292 -3.362 1.00 0.00 C ATOM 637 CD GLN A 39 -1.832 -22.018 -2.389 1.00 0.00 C ATOM 638 OE1 GLN A 39 -1.778 -21.684 -1.205 1.00 0.00 O ATOM 639 NE2 GLN A 39 -1.112 -23.017 -2.884 1.00 0.00 N ATOM 0 H GLN A 39 -0.934 -17.962 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.586 -19.964 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.680 -20.152 -5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.591 -21.525 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.261 -20.491 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.501 -21.982 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.188 -23.260 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.483 -23.542 -2.277 1.00 0.00 H new ATOM 648 N GLY A 40 1.237 -21.009 -4.490 1.00 0.00 N ATOM 649 CA GLY A 40 2.441 -21.379 -5.211 1.00 0.00 C ATOM 650 C GLY A 40 2.626 -22.881 -5.299 1.00 0.00 C ATOM 651 O GLY A 40 2.695 -23.441 -6.394 1.00 0.00 O ATOM 0 H GLY A 40 1.101 -21.496 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.401 -20.961 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.307 -20.938 -4.717 1.00 0.00 H new ATOM 655 N ILE A 41 2.707 -23.534 -4.145 1.00 0.00 N ATOM 656 CA ILE A 41 2.885 -24.980 -4.098 1.00 0.00 C ATOM 657 C ILE A 41 1.908 -25.623 -3.119 1.00 0.00 C ATOM 658 O ILE A 41 1.536 -25.020 -2.112 1.00 0.00 O ATOM 659 CB ILE A 41 4.323 -25.357 -3.692 1.00 0.00 C ATOM 660 CG1 ILE A 41 4.971 -26.222 -4.775 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.322 -26.084 -2.356 1.00 0.00 C ATOM 662 CD1 ILE A 41 4.202 -27.489 -5.077 1.00 0.00 C ATOM 0 H ILE A 41 2.652 -23.085 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 41 2.689 -25.355 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 41 4.907 -24.443 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.063 -25.636 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.981 -26.486 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.345 -26.344 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.895 -25.437 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.726 -26.993 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.719 -28.052 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.132 -28.096 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.200 -27.233 -5.421 1.00 0.00 H new ATOM 674 N ARG A 42 1.498 -26.850 -3.422 1.00 0.00 N ATOM 675 CA ARG A 42 0.564 -27.575 -2.569 1.00 0.00 C ATOM 676 C ARG A 42 1.311 -28.447 -1.563 1.00 0.00 C ATOM 677 O ARG A 42 2.037 -29.367 -1.941 1.00 0.00 O ATOM 678 CB ARG A 42 -0.369 -28.441 -3.418 1.00 0.00 C ATOM 679 CG ARG A 42 -1.511 -27.665 -4.052 1.00 0.00 C ATOM 680 CD ARG A 42 -2.816 -27.882 -3.303 1.00 0.00 C ATOM 681 NE ARG A 42 -3.968 -27.392 -4.056 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.587 -28.099 -4.995 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.169 -29.321 -5.293 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.628 -27.584 -5.636 1.00 0.00 N ATOM 0 H ARG A 42 1.798 -27.363 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.030 -26.844 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.212 -28.923 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.782 -29.234 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.269 -26.602 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.630 -27.975 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.943 -28.945 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.770 -27.374 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.316 -26.456 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.370 -29.721 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.646 -29.861 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.954 -26.645 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.103 -28.127 -6.357 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.375 -26.603 -9.708 1.00 0.00 N ATOM 1036 CA HIS A 66 0.489 -26.441 -8.544 1.00 0.00 C ATOM 1037 C HIS A 66 1.026 -27.790 -8.074 1.00 0.00 C ATOM 1038 O HIS A 66 2.046 -27.857 -7.388 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.272 -25.758 -7.408 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.696 -24.357 -7.729 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.269 -23.259 -7.012 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.512 -23.879 -8.696 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.805 -22.166 -7.525 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.564 -22.515 -8.548 1.00 0.00 N ATOM 0 HA HIS A 66 1.333 -25.815 -8.833 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.155 -26.350 -7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.356 -25.744 -6.518 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.027 -24.462 -9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.649 -21.159 -7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.101 -21.875 -9.133 1.00 0.00 H new ATOM 1052 N ILE A 67 0.332 -28.860 -8.447 1.00 0.00 N ATOM 1053 CA ILE A 67 0.739 -30.205 -8.063 1.00 0.00 C ATOM 1054 C ILE A 67 2.186 -30.476 -8.461 1.00 0.00 C ATOM 1055 O ILE A 67 2.963 -31.033 -7.683 1.00 0.00 O ATOM 1056 CB ILE A 67 -0.166 -31.273 -8.705 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.619 -30.792 -8.730 1.00 0.00 C ATOM 1058 CG2 ILE A 67 -0.051 -32.589 -7.952 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -2.167 -30.454 -7.361 1.00 0.00 C ATOM 0 H ILE A 67 -0.515 -28.821 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 67 0.645 -30.265 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 67 0.162 -31.436 -9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.691 -29.912 -9.369 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.241 -31.565 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.697 -33.333 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.982 -32.936 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.356 -32.443 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.200 -30.121 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.127 -31.338 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.568 -29.659 -6.916 1.00 0.00 H new ATOM 1071 N THR A 68 2.544 -30.078 -9.677 1.00 0.00 N ATOM 1072 CA THR A 68 3.898 -30.276 -10.179 1.00 0.00 C ATOM 1073 C THR A 68 4.782 -29.074 -9.867 1.00 0.00 C ATOM 1074 O THR A 68 5.972 -29.069 -10.178 1.00 0.00 O ATOM 1075 CB THR A 68 3.903 -30.522 -11.700 1.00 0.00 C ATOM 1076 OG1 THR A 68 3.467 -29.345 -12.388 1.00 0.00 O ATOM 1077 CG2 THR A 68 3.000 -31.692 -12.062 1.00 0.00 C ATOM 0 H THR A 68 1.915 -29.616 -10.333 1.00 0.00 H new ATOM 0 HA THR A 68 4.296 -31.156 -9.675 1.00 0.00 H new ATOM 0 HB THR A 68 4.922 -30.763 -12.004 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.475 -29.509 -13.354 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.020 -31.847 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.353 -32.593 -11.560 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.980 -31.476 -11.745 1.00 0.00 H new ATOM 1085 N GLY A 69 4.192 -28.056 -9.249 1.00 0.00 N ATOM 1086 CA GLY A 69 4.941 -26.862 -8.905 1.00 0.00 C ATOM 1087 C GLY A 69 5.459 -26.130 -10.127 1.00 0.00 C ATOM 1088 O GLY A 69 6.433 -25.381 -10.045 1.00 0.00 O ATOM 0 H GLY A 69 3.208 -28.037 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.305 -26.192 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.781 -27.135 -8.266 1.00 0.00 H new ATOM 1092 N ASP A 70 4.808 -26.347 -11.265 1.00 0.00 N ATOM 1093 CA ASP A 70 5.209 -25.703 -12.510 1.00 0.00 C ATOM 1094 C ASP A 70 4.308 -24.512 -12.821 1.00 0.00 C ATOM 1095 O ASP A 70 4.201 -24.085 -13.970 1.00 0.00 O ATOM 1096 CB ASP A 70 5.167 -26.705 -13.665 1.00 0.00 C ATOM 1097 CG ASP A 70 3.764 -26.910 -14.202 1.00 0.00 C ATOM 1098 OD1 ASP A 70 2.814 -26.923 -13.392 1.00 0.00 O ATOM 1099 OD2 ASP A 70 3.617 -27.057 -15.433 1.00 0.00 O ATOM 0 H ASP A 70 4.000 -26.964 -11.351 1.00 0.00 H new ATOM 0 HA ASP A 70 6.230 -25.342 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.813 -26.355 -14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.567 -27.661 -13.328 1.00 0.00 H new ATOM 1104 N ALA A 71 3.660 -23.982 -11.789 1.00 0.00 N ATOM 1105 CA ALA A 71 2.769 -22.840 -11.951 1.00 0.00 C ATOM 1106 C ALA A 71 2.398 -22.236 -10.601 1.00 0.00 C ATOM 1107 O ALA A 71 2.516 -22.891 -9.565 1.00 0.00 O ATOM 1108 CB ALA A 71 1.515 -23.253 -12.709 1.00 0.00 C ATOM 0 H ALA A 71 3.736 -24.325 -10.832 1.00 0.00 H new ATOM 0 HA ALA A 71 3.295 -22.079 -12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.858 -22.391 -12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.793 -23.630 -13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.995 -24.034 -12.154 1.00 0.00 H new ATOM 1114 N ILE A 72 1.950 -20.985 -10.620 1.00 0.00 N ATOM 1115 CA ILE A 72 1.562 -20.294 -9.397 1.00 0.00 C ATOM 1116 C ILE A 72 0.476 -19.259 -9.671 1.00 0.00 C ATOM 1117 O ILE A 72 0.272 -18.847 -10.813 1.00 0.00 O ATOM 1118 CB ILE A 72 2.766 -19.597 -8.738 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.326 -18.514 -9.664 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.844 -20.614 -8.392 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.734 -17.144 -9.418 1.00 0.00 C ATOM 0 H ILE A 72 1.847 -20.429 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 72 1.174 -21.052 -8.716 1.00 0.00 H new ATOM 0 HB ILE A 72 2.432 -19.123 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.407 -18.462 -9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.140 -18.801 -10.699 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.688 -20.105 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.439 -21.352 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.178 -21.114 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.177 -16.427 -10.109 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.656 -17.180 -9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.942 -16.836 -8.393 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.215 -18.842 -8.617 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.279 -17.852 -8.742 1.00 0.00 C ATOM 1135 C ASP A 73 -0.969 -16.613 -7.908 1.00 0.00 C ATOM 1136 O ASP A 73 -0.337 -16.703 -6.855 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.617 -18.452 -8.310 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.802 -17.675 -8.850 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.990 -16.514 -8.431 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.541 -18.228 -9.692 1.00 0.00 O ATOM 0 H ASP A 73 -0.058 -19.174 -7.665 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.345 -17.556 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.676 -19.485 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.667 -18.475 -7.221 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.418 -15.457 -8.385 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.187 -14.199 -7.684 1.00 0.00 C ATOM 1147 C PHE A 74 -2.358 -13.242 -7.885 1.00 0.00 C ATOM 1148 O PHE A 74 -3.288 -13.531 -8.637 1.00 0.00 O ATOM 1149 CB PHE A 74 0.109 -13.548 -8.174 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.044 -12.815 -9.476 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.413 -11.480 -9.494 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.183 -13.461 -10.680 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.554 -10.803 -10.691 1.00 0.00 C ATOM 1154 CE2 PHE A 74 0.044 -12.789 -11.880 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.325 -11.458 -11.885 1.00 0.00 C ATOM 0 H PHE A 74 -1.944 -15.365 -9.254 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.096 -14.416 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.467 -12.853 -7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.873 -14.317 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.592 -10.963 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.472 -14.502 -10.681 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.843 -9.762 -10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.224 -13.304 -12.812 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.434 -10.930 -12.821 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.304 -12.100 -7.207 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.358 -11.099 -7.311 1.00 0.00 C ATOM 1167 C ALA A 75 -2.775 -9.710 -7.543 1.00 0.00 C ATOM 1168 O ALA A 75 -1.832 -9.286 -6.874 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.222 -11.109 -6.059 1.00 0.00 C ATOM 0 H ALA A 75 -1.541 -11.845 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.980 -11.351 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.005 -10.356 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.677 -12.092 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.605 -10.886 -5.189 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.346 -8.981 -8.513 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.898 -7.628 -8.855 1.00 0.00 C ATOM 1177 C PRO A 76 -3.230 -6.615 -7.765 1.00 0.00 C ATOM 1178 O PRO A 76 -4.399 -6.351 -7.484 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.676 -7.310 -10.135 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.894 -8.165 -10.061 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.474 -9.422 -9.351 1.00 0.00 C ATOM 0 HA PRO A 76 -1.816 -7.574 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.937 -6.253 -10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.086 -7.537 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.694 -7.659 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.275 -8.388 -11.057 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.284 -9.833 -8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.173 -10.199 -10.054 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.194 -6.050 -7.155 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.375 -5.066 -6.094 1.00 0.00 C ATOM 1191 C TYR A 77 -2.368 -3.649 -6.657 1.00 0.00 C ATOM 1192 O TYR A 77 -1.486 -3.283 -7.435 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.277 -5.214 -5.040 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.804 -5.327 -3.627 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.227 -6.549 -3.118 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.880 -4.212 -2.802 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.710 -6.657 -1.829 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.360 -4.311 -1.510 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.774 -5.535 -1.028 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.254 -5.638 0.257 1.00 0.00 O ATOM 0 H TYR A 77 -1.220 -6.256 -7.377 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.344 -5.247 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.683 -6.099 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.608 -4.356 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.177 -7.429 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.558 -3.251 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.036 -7.614 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.411 -3.435 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.232 -4.757 0.686 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.356 -2.855 -6.258 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.464 -1.478 -6.722 1.00 0.00 C ATOM 1212 C ILE A 78 -4.092 -0.587 -5.656 1.00 0.00 C ATOM 1213 O ILE A 78 -5.029 -0.991 -4.968 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.298 -1.381 -8.013 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.548 -2.028 -9.180 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.624 0.072 -8.326 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -3.879 -3.491 -9.374 1.00 0.00 C ATOM 0 H ILE A 78 -4.093 -3.142 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.450 -1.135 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.234 -1.919 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.782 -1.486 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.476 -1.925 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.214 0.124 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.194 0.503 -7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.698 0.632 -8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.312 -3.884 -10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.619 -4.046 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.945 -3.600 -9.572 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.571 0.629 -5.526 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.083 1.579 -4.545 1.00 0.00 C ATOM 1231 C ASN A 79 -3.963 1.018 -3.131 1.00 0.00 C ATOM 1232 O ASN A 79 -4.796 1.296 -2.269 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.543 1.921 -4.848 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.930 3.299 -4.346 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.076 4.164 -4.153 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.224 3.508 -4.131 1.00 0.00 N ATOM 0 H ASN A 79 -2.795 0.979 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.484 2.487 -4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.710 1.869 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.191 1.175 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.545 4.415 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.897 2.761 -4.305 1.00 0.00 H new ATOM 1243 N GLY A 80 -2.920 0.226 -2.900 1.00 0.00 N ATOM 1244 CA GLY A 80 -2.710 -0.361 -1.590 1.00 0.00 C ATOM 1245 C GLY A 80 -3.780 -1.372 -1.230 1.00 0.00 C ATOM 1246 O GLY A 80 -3.965 -1.701 -0.058 1.00 0.00 O ATOM 0 H GLY A 80 -2.217 -0.019 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.734 -0.845 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.694 0.429 -0.839 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.489 -1.866 -2.239 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.548 -2.846 -2.024 1.00 0.00 C ATOM 1252 C LYS A 81 -5.659 -3.796 -3.211 1.00 0.00 C ATOM 1253 O LYS A 81 -5.239 -3.468 -4.322 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.886 -2.139 -1.795 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.316 -1.260 -2.957 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.540 -0.431 -2.606 1.00 0.00 C ATOM 1257 CE LYS A 81 -9.124 0.249 -3.835 1.00 0.00 C ATOM 1258 NZ LYS A 81 -10.173 -0.586 -4.484 1.00 0.00 N ATOM 0 H LYS A 81 -4.350 -1.604 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.296 -3.429 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.657 -2.888 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.815 -1.528 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.496 -0.599 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.534 -1.883 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.295 -1.071 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.270 0.322 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.550 1.211 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.327 0.453 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.546 -0.088 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.761 -1.494 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.945 -0.759 -3.809 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.228 -4.973 -2.971 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.396 -5.969 -4.022 1.00 0.00 C ATOM 1274 C ILE A 82 -7.391 -5.493 -5.075 1.00 0.00 C ATOM 1275 O ILE A 82 -8.495 -5.056 -4.749 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.876 -7.315 -3.449 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.081 -7.673 -2.192 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.745 -8.412 -4.495 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.884 -7.556 -0.915 1.00 0.00 C ATOM 0 H ILE A 82 -6.580 -5.260 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.419 -6.108 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.927 -7.222 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.709 -8.693 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.210 -7.021 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.088 -9.358 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.351 -8.160 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.701 -8.506 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.257 -7.825 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.234 -6.530 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.741 -8.228 -0.961 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.994 -5.583 -6.339 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.851 -5.165 -7.442 1.00 0.00 C ATOM 1293 C ASP A 83 -8.369 -6.374 -8.216 1.00 0.00 C ATOM 1294 O ASP A 83 -7.775 -6.786 -9.213 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.090 -4.230 -8.382 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.510 -2.782 -8.224 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.113 -2.449 -7.182 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.235 -1.981 -9.142 1.00 0.00 O ATOM 0 H ASP A 83 -6.083 -5.942 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.704 -4.631 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.021 -4.318 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.255 -4.543 -9.413 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.478 -6.937 -7.750 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.074 -8.100 -8.398 1.00 0.00 C ATOM 1305 C TRP A 84 -11.130 -7.675 -9.413 1.00 0.00 C ATOM 1306 O TRP A 84 -11.517 -8.454 -10.283 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.697 -9.028 -7.354 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.729 -10.027 -6.796 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.300 -10.117 -5.502 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.070 -11.076 -7.514 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.413 -11.159 -5.373 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.256 -11.764 -6.593 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.090 -11.502 -8.844 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.470 -12.852 -6.962 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.309 -12.582 -9.209 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.509 -13.248 -8.271 1.00 0.00 C ATOM 0 H TRP A 84 -9.982 -6.608 -6.927 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.285 -8.636 -8.925 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.099 -8.427 -6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.537 -9.558 -7.804 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.612 -9.466 -4.699 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.947 -11.437 -4.509 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.705 -10.996 -9.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.851 -13.365 -6.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.315 -12.919 -10.235 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.912 -14.090 -8.587 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.593 -6.434 -9.295 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.605 -5.907 -10.203 1.00 0.00 C ATOM 1329 C ASN A 85 -12.009 -4.849 -11.127 1.00 0.00 C ATOM 1330 O ASN A 85 -12.734 -4.133 -11.817 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.769 -5.309 -9.410 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.717 -6.371 -8.886 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -15.514 -6.932 -9.637 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -14.633 -6.651 -7.590 1.00 0.00 N ATOM 0 H ASN A 85 -11.283 -5.776 -8.580 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.974 -6.731 -10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.376 -4.731 -8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.320 -4.616 -10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.245 -7.357 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.957 -6.160 -7.005 1.00 0.00 H new ATOM 1341 N ASP A 86 -10.684 -4.757 -11.134 1.00 0.00 N ATOM 1342 CA ASP A 86 -9.989 -3.789 -11.975 1.00 0.00 C ATOM 1343 C ASP A 86 -9.085 -4.492 -12.982 1.00 0.00 C ATOM 1344 O ASP A 86 -7.859 -4.425 -12.885 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.164 -2.832 -11.112 1.00 0.00 C ATOM 1346 CG ASP A 86 -8.861 -1.527 -11.823 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -8.046 -1.543 -12.769 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.439 -0.491 -11.432 1.00 0.00 O ATOM 0 H ASP A 86 -10.069 -5.341 -10.567 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.738 -3.218 -12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.704 -2.623 -10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.228 -3.315 -10.831 1.00 0.00 H new ATOM 1353 N LEU A 87 -9.698 -5.168 -13.948 1.00 0.00 N ATOM 1354 CA LEU A 87 -8.949 -5.886 -14.973 1.00 0.00 C ATOM 1355 C LEU A 87 -8.048 -4.935 -15.756 1.00 0.00 C ATOM 1356 O LEU A 87 -7.067 -5.357 -16.367 1.00 0.00 O ATOM 1357 CB LEU A 87 -9.908 -6.599 -15.928 1.00 0.00 C ATOM 1358 CG LEU A 87 -10.381 -7.986 -15.491 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -9.293 -9.021 -15.729 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -10.794 -7.972 -14.026 1.00 0.00 C ATOM 0 H LEU A 87 -10.711 -5.234 -14.043 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.321 -6.627 -14.477 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.784 -5.966 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.420 -6.692 -16.898 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.250 -8.257 -16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.648 -10.002 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.045 -9.051 -16.790 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.405 -8.754 -15.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.128 -8.967 -13.733 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.943 -7.678 -13.411 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.607 -7.260 -13.884 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.389 -3.650 -15.730 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.610 -2.640 -16.436 1.00 0.00 C ATOM 1374 C GLU A 88 -6.135 -2.723 -16.051 1.00 0.00 C ATOM 1375 O GLU A 88 -5.274 -2.960 -16.898 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.150 -1.241 -16.130 1.00 0.00 C ATOM 1377 CG GLU A 88 -9.558 -1.006 -16.651 1.00 0.00 C ATOM 1378 CD GLU A 88 -10.242 0.166 -15.973 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.573 1.195 -15.748 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -11.448 0.052 -15.668 1.00 0.00 O ATOM 0 H GLU A 88 -9.198 -3.285 -15.228 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.700 -2.831 -17.505 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.140 -1.084 -15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.481 -0.499 -16.566 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.519 -0.827 -17.726 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.153 -1.907 -16.499 1.00 0.00 H new ATOM 1387 N ALA A 89 -5.853 -2.525 -14.768 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.484 -2.578 -14.270 1.00 0.00 C ATOM 1389 C ALA A 89 -3.922 -3.993 -14.360 1.00 0.00 C ATOM 1390 O ALA A 89 -2.708 -4.186 -14.424 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.424 -2.075 -12.835 1.00 0.00 C ATOM 0 H ALA A 89 -6.554 -2.326 -14.054 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.871 -1.930 -14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.396 -2.120 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.777 -1.044 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.056 -2.699 -12.204 1.00 0.00 H new ATOM 1397 N PHE A 90 -4.813 -4.979 -14.363 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.405 -6.377 -14.444 1.00 0.00 C ATOM 1399 C PHE A 90 -3.621 -6.642 -15.726 1.00 0.00 C ATOM 1400 O PHE A 90 -2.695 -7.452 -15.743 1.00 0.00 O ATOM 1401 CB PHE A 90 -5.630 -7.292 -14.383 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.285 -8.745 -14.222 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.294 -9.142 -13.339 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -5.952 -9.714 -14.955 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -3.975 -10.478 -13.189 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -5.638 -11.051 -14.808 1.00 0.00 C ATOM 1407 CZ PHE A 90 -4.647 -11.434 -13.925 1.00 0.00 C ATOM 0 H PHE A 90 -5.822 -4.836 -14.310 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.758 -6.590 -13.593 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.264 -6.983 -13.552 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.215 -7.164 -15.294 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.765 -8.399 -12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.726 -9.420 -15.649 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.201 -10.774 -12.497 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.167 -11.797 -15.383 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.398 -12.479 -13.811 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.000 -5.954 -16.796 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.333 -6.115 -18.084 1.00 0.00 C ATOM 1419 C TRP A 91 -1.965 -5.443 -18.076 1.00 0.00 C ATOM 1420 O TRP A 91 -1.082 -5.803 -18.854 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.196 -5.531 -19.204 1.00 0.00 C ATOM 1422 CG TRP A 91 -3.934 -6.156 -20.541 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -3.032 -5.739 -21.478 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -4.583 -7.308 -21.091 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -3.082 -6.563 -22.577 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -4.025 -7.533 -22.364 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -5.581 -8.172 -20.630 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -4.432 -8.586 -23.179 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -5.984 -9.216 -21.441 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -5.410 -9.416 -22.704 1.00 0.00 C ATOM 0 H TRP A 91 -4.765 -5.279 -16.798 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.192 -7.181 -18.262 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.248 -5.662 -18.949 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.016 -4.458 -19.271 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -2.376 -4.888 -21.371 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -2.509 -6.467 -23.416 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.029 -8.026 -19.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.991 -8.742 -24.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.755 -9.889 -21.096 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -5.746 -10.241 -23.314 1.00 0.00 H new ATOM 1441 N ALA A 92 -1.796 -4.465 -17.192 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.533 -3.744 -17.083 1.00 0.00 C ATOM 1443 C ALA A 92 0.501 -4.563 -16.317 1.00 0.00 C ATOM 1444 O ALA A 92 1.650 -4.685 -16.743 1.00 0.00 O ATOM 1445 CB ALA A 92 -0.750 -2.399 -16.406 1.00 0.00 C ATOM 0 H ALA A 92 -2.517 -4.154 -16.541 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.151 -3.574 -18.090 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.201 -1.872 -16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.449 -1.804 -16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.157 -2.556 -15.407 1.00 0.00 H new ATOM 1451 N VAL A 93 0.087 -5.121 -15.184 1.00 0.00 N ATOM 1452 CA VAL A 93 0.977 -5.928 -14.359 1.00 0.00 C ATOM 1453 C VAL A 93 1.263 -7.275 -15.014 1.00 0.00 C ATOM 1454 O VAL A 93 2.325 -7.863 -14.812 1.00 0.00 O ATOM 1455 CB VAL A 93 0.382 -6.167 -12.958 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.018 -6.752 -13.065 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.289 -7.077 -12.143 1.00 0.00 C ATOM 0 H VAL A 93 -0.860 -5.029 -14.817 1.00 0.00 H new ATOM 0 HA VAL A 93 1.908 -5.370 -14.260 1.00 0.00 H new ATOM 0 HB VAL A 93 0.310 -5.209 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.422 -6.914 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.661 -6.060 -13.609 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.976 -7.702 -13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.854 -7.235 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.394 -8.035 -12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.270 -6.613 -12.037 1.00 0.00 H new ATOM 1467 N LYS A 94 0.308 -7.758 -15.801 1.00 0.00 N ATOM 1468 CA LYS A 94 0.456 -9.035 -16.489 1.00 0.00 C ATOM 1469 C LYS A 94 1.576 -8.970 -17.522 1.00 0.00 C ATOM 1470 O LYS A 94 2.227 -9.974 -17.812 1.00 0.00 O ATOM 1471 CB LYS A 94 -0.858 -9.427 -17.169 1.00 0.00 C ATOM 1472 CG LYS A 94 -0.808 -10.782 -17.853 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.188 -11.229 -18.307 1.00 0.00 C ATOM 1474 CE LYS A 94 -3.077 -11.580 -17.124 1.00 0.00 C ATOM 1475 NZ LYS A 94 -4.283 -12.346 -17.544 1.00 0.00 N ATOM 0 H LYS A 94 -0.578 -7.284 -15.978 1.00 0.00 H new ATOM 0 HA LYS A 94 0.714 -9.791 -15.747 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.654 -9.434 -16.425 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.117 -8.667 -17.906 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.140 -10.732 -18.713 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.392 -11.521 -17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.655 -10.436 -18.891 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.094 -12.095 -18.962 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.507 -12.166 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.386 -10.665 -16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.053 -12.180 -16.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.581 -12.033 -18.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.058 -13.361 -17.571 1.00 0.00 H new ATOM 1489 N LYS A 95 1.798 -7.782 -18.074 1.00 0.00 N ATOM 1490 CA LYS A 95 2.841 -7.584 -19.073 1.00 0.00 C ATOM 1491 C LYS A 95 4.225 -7.750 -18.454 1.00 0.00 C ATOM 1492 O LYS A 95 5.177 -8.136 -19.132 1.00 0.00 O ATOM 1493 CB LYS A 95 2.716 -6.195 -19.703 1.00 0.00 C ATOM 1494 CG LYS A 95 3.344 -6.094 -21.082 1.00 0.00 C ATOM 1495 CD LYS A 95 2.934 -4.813 -21.789 1.00 0.00 C ATOM 1496 CE LYS A 95 3.951 -4.410 -22.846 1.00 0.00 C ATOM 1497 NZ LYS A 95 4.036 -5.411 -23.945 1.00 0.00 N ATOM 0 H LYS A 95 1.268 -6.941 -17.846 1.00 0.00 H new ATOM 0 HA LYS A 95 2.715 -8.340 -19.848 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.661 -5.931 -19.773 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.185 -5.463 -19.045 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.430 -6.129 -20.992 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.046 -6.953 -21.682 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.958 -4.950 -22.255 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.829 -4.011 -21.059 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.679 -3.439 -23.260 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.931 -4.296 -22.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.727 -5.091 -24.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.337 -6.328 -23.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.103 -5.514 -24.394 1.00 0.00 H new ATOM 1511 N ALA A 96 4.330 -7.457 -17.161 1.00 0.00 N ATOM 1512 CA ALA A 96 5.597 -7.578 -16.451 1.00 0.00 C ATOM 1513 C ALA A 96 5.981 -9.041 -16.259 1.00 0.00 C ATOM 1514 O ALA A 96 7.163 -9.386 -16.246 1.00 0.00 O ATOM 1515 CB ALA A 96 5.517 -6.870 -15.106 1.00 0.00 C ATOM 0 H ALA A 96 3.553 -7.134 -16.585 1.00 0.00 H new ATOM 0 HA ALA A 96 6.371 -7.103 -17.054 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.470 -6.968 -14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.296 -5.814 -15.263 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.727 -7.320 -14.504 1.00 0.00 H new ATOM 1521 N PHE A 97 4.976 -9.897 -16.108 1.00 0.00 N ATOM 1522 CA PHE A 97 5.210 -11.324 -15.915 1.00 0.00 C ATOM 1523 C PHE A 97 5.752 -11.964 -17.190 1.00 0.00 C ATOM 1524 O PHE A 97 6.726 -12.716 -17.152 1.00 0.00 O ATOM 1525 CB PHE A 97 3.916 -12.021 -15.492 1.00 0.00 C ATOM 1526 CG PHE A 97 3.806 -12.233 -14.009 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.428 -11.194 -13.174 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.081 -13.470 -13.450 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.325 -11.385 -11.808 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.980 -13.668 -12.086 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.603 -12.624 -11.264 1.00 0.00 C ATOM 0 H PHE A 97 3.992 -9.628 -16.115 1.00 0.00 H new ATOM 0 HA PHE A 97 5.953 -11.442 -15.126 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.066 -11.428 -15.830 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.852 -12.986 -15.995 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.211 -10.223 -13.595 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.378 -14.290 -14.088 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.028 -10.567 -11.168 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.196 -14.638 -11.663 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.526 -12.776 -10.198 1.00 0.00 H new ATOM 1541 N GLU A 98 5.115 -11.659 -18.315 1.00 0.00 N ATOM 1542 CA GLU A 98 5.533 -12.206 -19.601 1.00 0.00 C ATOM 1543 C GLU A 98 6.832 -11.558 -20.071 1.00 0.00 C ATOM 1544 O GLU A 98 7.643 -12.191 -20.746 1.00 0.00 O ATOM 1545 CB GLU A 98 4.437 -11.997 -20.649 1.00 0.00 C ATOM 1546 CG GLU A 98 3.933 -10.566 -20.726 1.00 0.00 C ATOM 1547 CD GLU A 98 3.371 -10.218 -22.090 1.00 0.00 C ATOM 1548 OE1 GLU A 98 4.165 -10.100 -23.047 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.137 -10.063 -22.201 1.00 0.00 O ATOM 0 H GLU A 98 4.308 -11.037 -18.363 1.00 0.00 H new ATOM 0 HA GLU A 98 5.706 -13.275 -19.474 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.820 -12.291 -21.626 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.599 -12.657 -20.423 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.162 -10.415 -19.970 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.750 -9.884 -20.489 1.00 0.00 H new ATOM 1556 N GLN A 99 7.020 -10.293 -19.710 1.00 0.00 N ATOM 1557 CA GLN A 99 8.219 -9.559 -20.096 1.00 0.00 C ATOM 1558 C GLN A 99 9.414 -9.986 -19.250 1.00 0.00 C ATOM 1559 O GLN A 99 10.505 -10.215 -19.771 1.00 0.00 O ATOM 1560 CB GLN A 99 7.990 -8.053 -19.953 1.00 0.00 C ATOM 1561 CG GLN A 99 7.193 -7.448 -21.097 1.00 0.00 C ATOM 1562 CD GLN A 99 6.936 -5.965 -20.909 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.154 -5.165 -21.819 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.469 -5.591 -19.723 1.00 0.00 N ATOM 0 H GLN A 99 6.358 -9.755 -19.151 1.00 0.00 H new ATOM 0 HA GLN A 99 8.435 -9.789 -21.140 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.468 -7.861 -19.016 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.956 -7.551 -19.889 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.731 -7.604 -22.032 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.240 -7.970 -21.187 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.303 -6.288 -18.997 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.277 -4.607 -19.538 1.00 0.00 H new ATOM 1573 N ALA A 100 9.201 -10.090 -17.943 1.00 0.00 N ATOM 1574 CA ALA A 100 10.260 -10.491 -17.025 1.00 0.00 C ATOM 1575 C ALA A 100 10.877 -11.821 -17.446 1.00 0.00 C ATOM 1576 O ALA A 100 12.088 -12.012 -17.349 1.00 0.00 O ATOM 1577 CB ALA A 100 9.721 -10.582 -15.605 1.00 0.00 C ATOM 0 H ALA A 100 8.304 -9.902 -17.495 1.00 0.00 H new ATOM 0 HA ALA A 100 11.042 -9.732 -17.057 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.523 -10.882 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.335 -9.610 -15.299 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.919 -11.319 -15.567 1.00 0.00 H new ATOM 1583 N GLY A 101 10.034 -12.737 -17.913 1.00 0.00 N ATOM 1584 CA GLY A 101 10.515 -14.038 -18.340 1.00 0.00 C ATOM 1585 C GLY A 101 11.384 -13.956 -19.580 1.00 0.00 C ATOM 1586 O GLY A 101 12.155 -14.871 -19.869 1.00 0.00 O ATOM 0 H GLY A 101 9.027 -12.601 -18.003 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.084 -14.495 -17.531 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.664 -14.689 -18.539 1.00 0.00 H new ATOM 1590 N LYS A 102 11.258 -12.858 -20.317 1.00 0.00 N ATOM 1591 CA LYS A 102 12.036 -12.658 -21.534 1.00 0.00 C ATOM 1592 C LYS A 102 13.505 -12.407 -21.205 1.00 0.00 C ATOM 1593 O LYS A 102 14.388 -13.115 -21.688 1.00 0.00 O ATOM 1594 CB LYS A 102 11.474 -11.483 -22.337 1.00 0.00 C ATOM 1595 CG LYS A 102 10.006 -11.637 -22.693 1.00 0.00 C ATOM 1596 CD LYS A 102 9.827 -12.140 -24.116 1.00 0.00 C ATOM 1597 CE LYS A 102 8.365 -12.417 -24.430 1.00 0.00 C ATOM 1598 NZ LYS A 102 7.875 -13.648 -23.750 1.00 0.00 N ATOM 0 H LYS A 102 10.623 -12.092 -20.092 1.00 0.00 H new ATOM 0 HA LYS A 102 11.966 -13.566 -22.134 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.606 -10.566 -21.763 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.052 -11.371 -23.254 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.533 -12.331 -21.998 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.500 -10.678 -22.579 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.217 -11.401 -24.816 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.409 -13.051 -24.257 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.759 -11.565 -24.120 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.239 -12.523 -25.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.992 -13.964 -24.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.592 -14.397 -23.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.699 -13.443 -22.746 1.00 0.00 H new ATOM 1612 N GLU A 103 13.757 -11.396 -20.379 1.00 0.00 N ATOM 1613 CA GLU A 103 15.119 -11.053 -19.986 1.00 0.00 C ATOM 1614 C GLU A 103 15.681 -12.087 -19.014 1.00 0.00 C ATOM 1615 O GLU A 103 16.854 -12.455 -19.092 1.00 0.00 O ATOM 1616 CB GLU A 103 15.154 -9.664 -19.346 1.00 0.00 C ATOM 1617 CG GLU A 103 14.245 -9.528 -18.136 1.00 0.00 C ATOM 1618 CD GLU A 103 14.261 -8.130 -17.549 1.00 0.00 C ATOM 1619 OE1 GLU A 103 13.564 -7.249 -18.093 1.00 0.00 O ATOM 1620 OE2 GLU A 103 14.971 -7.918 -16.543 1.00 0.00 O ATOM 0 H GLU A 103 13.037 -10.801 -19.970 1.00 0.00 H new ATOM 0 HA GLU A 103 15.739 -11.048 -20.883 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.178 -9.436 -19.048 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.866 -8.922 -20.091 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.225 -9.787 -18.421 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.553 -10.242 -17.372 1.00 0.00 H new ATOM 1627 N LEU A 104 14.837 -12.552 -18.100 1.00 0.00 N ATOM 1628 CA LEU A 104 15.248 -13.543 -17.112 1.00 0.00 C ATOM 1629 C LEU A 104 15.414 -14.916 -17.755 1.00 0.00 C ATOM 1630 O LEU A 104 16.168 -15.755 -17.265 1.00 0.00 O ATOM 1631 CB LEU A 104 14.224 -13.618 -15.979 1.00 0.00 C ATOM 1632 CG LEU A 104 14.142 -12.394 -15.066 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.729 -12.220 -14.531 1.00 0.00 C ATOM 1634 CD2 LEU A 104 15.136 -12.515 -13.920 1.00 0.00 C ATOM 0 H LEU A 104 13.863 -12.259 -18.022 1.00 0.00 H new ATOM 0 HA LEU A 104 16.210 -13.235 -16.703 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.240 -13.787 -16.416 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.454 -14.489 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 104 14.398 -11.511 -15.652 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.690 -11.344 -13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.039 -12.086 -15.364 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.444 -13.105 -13.962 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.063 -11.635 -13.281 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.911 -13.407 -13.336 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.147 -12.589 -14.321 1.00 0.00 H new ATOM 1646 N GLY A 105 14.703 -15.138 -18.857 1.00 0.00 N ATOM 1647 CA GLY A 105 14.787 -16.410 -19.550 1.00 0.00 C ATOM 1648 C GLY A 105 13.841 -17.446 -18.977 1.00 0.00 C ATOM 1649 O GLY A 105 13.662 -18.520 -19.553 1.00 0.00 O ATOM 0 H GLY A 105 14.071 -14.460 -19.282 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.561 -16.261 -20.606 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.809 -16.785 -19.493 1.00 0.00 H new ATOM 1653 N ILE A 106 13.234 -17.126 -17.839 1.00 0.00 N ATOM 1654 CA ILE A 106 12.302 -18.037 -17.188 1.00 0.00 C ATOM 1655 C ILE A 106 10.998 -18.143 -17.971 1.00 0.00 C ATOM 1656 O ILE A 106 10.394 -17.132 -18.333 1.00 0.00 O ATOM 1657 CB ILE A 106 11.988 -17.588 -15.748 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.128 -17.983 -14.808 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.674 -18.194 -15.279 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.273 -16.993 -14.797 1.00 0.00 C ATOM 0 H ILE A 106 13.371 -16.242 -17.349 1.00 0.00 H new ATOM 0 HA ILE A 106 12.785 -19.014 -17.158 1.00 0.00 H new ATOM 0 HB ILE A 106 11.890 -16.502 -15.735 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.735 -18.083 -13.796 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.507 -18.962 -15.101 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.466 -17.868 -14.260 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.868 -17.868 -15.936 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.745 -19.281 -15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.045 -17.337 -14.109 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.692 -16.910 -15.800 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.908 -16.018 -14.474 1.00 0.00 H new ATOM 1672 N LYS A 107 10.567 -19.373 -18.229 1.00 0.00 N ATOM 1673 CA LYS A 107 9.332 -19.612 -18.967 1.00 0.00 C ATOM 1674 C LYS A 107 8.145 -18.954 -18.270 1.00 0.00 C ATOM 1675 O LYS A 107 8.079 -18.913 -17.041 1.00 0.00 O ATOM 1676 CB LYS A 107 9.083 -21.116 -19.110 1.00 0.00 C ATOM 1677 CG LYS A 107 9.506 -21.676 -20.457 1.00 0.00 C ATOM 1678 CD LYS A 107 10.972 -21.399 -20.741 1.00 0.00 C ATOM 1679 CE LYS A 107 11.877 -22.109 -19.746 1.00 0.00 C ATOM 1680 NZ LYS A 107 11.798 -23.590 -19.883 1.00 0.00 N ATOM 0 H LYS A 107 11.055 -20.220 -17.938 1.00 0.00 H new ATOM 0 HA LYS A 107 9.439 -19.171 -19.958 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.622 -21.642 -18.322 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.022 -21.316 -18.959 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.328 -22.751 -20.477 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.893 -21.236 -21.244 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.215 -21.725 -21.752 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.155 -20.325 -20.699 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.907 -21.785 -19.896 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.597 -21.823 -18.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.567 -24.030 -19.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.882 -23.924 -19.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.889 -23.851 -20.885 1.00 0.00 H new ATOM 1694 N LEU A 108 7.210 -18.442 -19.062 1.00 0.00 N ATOM 1695 CA LEU A 108 6.024 -17.787 -18.522 1.00 0.00 C ATOM 1696 C LEU A 108 4.997 -17.528 -19.619 1.00 0.00 C ATOM 1697 O LEU A 108 5.305 -16.907 -20.637 1.00 0.00 O ATOM 1698 CB LEU A 108 6.408 -16.470 -17.845 1.00 0.00 C ATOM 1699 CG LEU A 108 5.508 -16.019 -16.695 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.048 -16.042 -17.119 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.724 -16.898 -15.472 1.00 0.00 C ATOM 0 H LEU A 108 7.250 -18.468 -20.081 1.00 0.00 H new ATOM 0 HA LEU A 108 5.578 -18.452 -17.782 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.427 -16.562 -17.468 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.418 -15.685 -18.601 1.00 0.00 H new ATOM 0 HG LEU A 108 5.773 -14.995 -16.433 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.422 -15.718 -16.287 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.904 -15.370 -17.965 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.769 -17.055 -17.409 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.075 -16.562 -14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.488 -17.932 -15.721 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.764 -16.830 -15.154 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.650 -17.156 -13.785 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.727 -18.185 -13.319 1.00 0.00 C ATOM 2064 C HIS A 133 -1.551 -18.336 -14.279 1.00 0.00 C ATOM 2065 O HIS A 133 -1.737 -18.571 -15.473 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.455 -19.522 -13.172 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.566 -20.641 -12.723 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.773 -20.567 -11.597 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.350 -21.867 -13.254 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.106 -21.698 -11.456 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.438 -22.504 -12.448 1.00 0.00 N ATOM 0 HA HIS A 133 -2.342 -17.880 -12.346 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.269 -19.406 -12.457 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.906 -19.788 -14.128 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.711 -19.764 -10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.809 -22.269 -14.145 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.408 -21.925 -10.664 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.340 -18.197 -13.750 1.00 0.00 N ATOM 2080 CA VAL A 134 0.867 -18.318 -14.559 1.00 0.00 C ATOM 2081 C VAL A 134 1.512 -19.687 -14.383 1.00 0.00 C ATOM 2082 O VAL A 134 1.615 -20.197 -13.267 1.00 0.00 O ATOM 2083 CB VAL A 134 1.894 -17.228 -14.201 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.248 -15.852 -14.235 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.509 -17.503 -12.837 1.00 0.00 C ATOM 0 H VAL A 134 -0.168 -18.000 -12.764 1.00 0.00 H new ATOM 0 HA VAL A 134 0.565 -18.194 -15.599 1.00 0.00 H new ATOM 0 HB VAL A 134 2.691 -17.247 -14.945 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.990 -15.095 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.860 -15.657 -15.235 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.430 -15.816 -13.515 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.232 -16.723 -12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.725 -17.513 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.011 -18.471 -12.853 1.00 0.00 H new ATOM 2095 N GLU A 135 1.947 -20.278 -15.492 1.00 0.00 N ATOM 2096 CA GLU A 135 2.583 -21.590 -15.458 1.00 0.00 C ATOM 2097 C GLU A 135 3.784 -21.636 -16.398 1.00 0.00 C ATOM 2098 O GLU A 135 4.005 -20.717 -17.188 1.00 0.00 O ATOM 2099 CB GLU A 135 1.578 -22.678 -15.844 1.00 0.00 C ATOM 2100 CG GLU A 135 1.057 -22.550 -17.265 1.00 0.00 C ATOM 2101 CD GLU A 135 -0.290 -23.219 -17.456 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.327 -24.465 -17.533 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -1.307 -22.498 -17.528 1.00 0.00 O ATOM 0 H GLU A 135 1.871 -19.870 -16.424 1.00 0.00 H new ATOM 0 HA GLU A 135 2.931 -21.771 -14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.049 -23.654 -15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.736 -22.644 -15.153 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.974 -21.494 -17.524 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.778 -22.991 -17.953 1.00 0.00 H new ATOM 2110 N LEU A 136 4.559 -22.711 -16.306 1.00 0.00 N ATOM 2111 CA LEU A 136 5.739 -22.878 -17.146 1.00 0.00 C ATOM 2112 C LEU A 136 5.403 -23.671 -18.406 1.00 0.00 C ATOM 2113 O LEU A 136 5.055 -24.850 -18.336 1.00 0.00 O ATOM 2114 CB LEU A 136 6.849 -23.585 -16.367 1.00 0.00 C ATOM 2115 CG LEU A 136 7.423 -22.820 -15.173 1.00 0.00 C ATOM 2116 CD1 LEU A 136 8.636 -23.543 -14.609 1.00 0.00 C ATOM 2117 CD2 LEU A 136 7.786 -21.398 -15.576 1.00 0.00 C ATOM 0 H LEU A 136 4.391 -23.480 -15.658 1.00 0.00 H new ATOM 0 HA LEU A 136 6.086 -21.888 -17.443 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.463 -24.540 -16.010 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.664 -23.808 -17.056 1.00 0.00 H new ATOM 0 HG LEU A 136 6.661 -22.772 -14.395 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.031 -22.984 -13.760 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.345 -24.541 -14.282 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.403 -23.623 -15.379 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.193 -20.868 -14.715 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.531 -21.424 -16.371 1.00 0.00 H new ATOM 0 HD23 LEU A 136 6.894 -20.882 -15.932 1.00 0.00 H new ATOM 2129 N VAL A 137 5.511 -23.016 -19.557 1.00 0.00 N ATOM 2130 CA VAL A 137 5.222 -23.660 -20.833 1.00 0.00 C ATOM 2131 C VAL A 137 6.506 -24.083 -21.538 1.00 0.00 C ATOM 2132 O VAL A 137 6.439 -24.600 -22.653 1.00 0.00 O ATOM 2133 CB VAL A 137 4.422 -22.729 -21.763 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.001 -22.554 -21.249 1.00 0.00 C ATOM 2135 CG2 VAL A 137 5.118 -21.383 -21.898 1.00 0.00 C ATOM 0 H VAL A 137 5.797 -22.040 -19.632 1.00 0.00 H new ATOM 0 HA VAL A 137 4.623 -24.544 -20.613 1.00 0.00 H new ATOM 0 HB VAL A 137 4.372 -23.187 -22.751 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.451 -21.893 -21.919 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.506 -23.524 -21.210 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.026 -22.119 -20.250 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.538 -20.738 -22.559 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.201 -20.916 -20.917 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.114 -21.529 -22.316 1.00 0.00 H new