USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 690 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00781 X(o=-0.0078,f=-0.12) USER MOD Single : A 17 ASN : amide:sc= -1.69! C(o=-1.7!,f=-2.1!) USER MOD Single : A 18 THR OG1 : rot 101:sc= -0.307 USER MOD Single : A 20 TYR OH : rot 180:sc= -3.16! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.101 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -145:sc= 0 (180deg=-0.232) USER MOD Single : A 40 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-5.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -84:sc= 1.07 USER MOD Single : A 74 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.0089) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.100 9.673 -13.667 1.00 0.00 N ATOM 60 CA GLY A 7 7.161 8.686 -13.549 1.00 0.00 C ATOM 61 C GLY A 7 7.012 7.874 -12.261 1.00 0.00 C ATOM 62 O GLY A 7 7.783 6.948 -12.014 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.138 8.017 -14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.130 9.185 -13.559 1.00 0.00 H new ATOM 66 N LEU A 8 6.015 8.250 -11.473 1.00 0.00 N ATOM 67 CA LEU A 8 5.755 7.569 -10.217 1.00 0.00 C ATOM 68 C LEU A 8 5.403 6.107 -10.498 1.00 0.00 C ATOM 69 O LEU A 8 5.918 5.203 -9.842 1.00 0.00 O ATOM 70 CB LEU A 8 4.689 8.315 -9.413 1.00 0.00 C ATOM 71 CG LEU A 8 4.880 9.827 -9.286 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.670 10.479 -8.613 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.186 10.155 -8.559 1.00 0.00 C ATOM 0 H LEU A 8 5.377 9.018 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 8 6.648 7.568 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.719 8.129 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.653 7.888 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 8 4.955 10.247 -10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.832 11.554 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.777 10.289 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.538 10.059 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.298 11.237 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.165 9.720 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.027 9.742 -9.117 1.00 0.00 H new ATOM 85 N ARG A 9 4.527 5.920 -11.475 1.00 0.00 N ATOM 86 CA ARG A 9 4.099 4.583 -11.851 1.00 0.00 C ATOM 87 C ARG A 9 5.283 3.615 -11.807 1.00 0.00 C ATOM 88 O ARG A 9 5.209 2.567 -11.167 1.00 0.00 O ATOM 89 CB ARG A 9 3.493 4.574 -13.256 1.00 0.00 C ATOM 90 CG ARG A 9 2.214 5.411 -13.307 1.00 0.00 C ATOM 91 CD ARG A 9 1.203 4.807 -14.284 1.00 0.00 C ATOM 92 NE ARG A 9 1.202 5.576 -15.549 1.00 0.00 N ATOM 93 CZ ARG A 9 2.102 5.412 -16.528 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.081 4.507 -16.394 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.023 6.154 -17.642 1.00 0.00 N ATOM 0 H ARG A 9 4.102 6.672 -12.017 1.00 0.00 H new ATOM 0 HA ARG A 9 3.339 4.265 -11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.217 4.966 -13.971 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.273 3.549 -13.554 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.773 5.469 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.454 6.430 -13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.454 3.765 -14.482 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.207 4.817 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 9 0.471 6.274 -15.684 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.141 3.943 -15.547 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.766 4.382 -17.140 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.278 6.843 -17.744 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.708 6.029 -18.387 1.00 0.00 H new ATOM 109 N LYS A 10 6.348 4.001 -12.495 1.00 0.00 N ATOM 110 CA LYS A 10 7.546 3.180 -12.543 1.00 0.00 C ATOM 111 C LYS A 10 8.089 2.996 -11.124 1.00 0.00 C ATOM 112 O LYS A 10 8.484 1.894 -10.746 1.00 0.00 O ATOM 113 CB LYS A 10 8.563 3.774 -13.519 1.00 0.00 C ATOM 114 CG LYS A 10 8.046 3.708 -14.957 1.00 0.00 C ATOM 115 CD LYS A 10 7.966 2.261 -15.446 1.00 0.00 C ATOM 116 CE LYS A 10 8.013 2.195 -16.974 1.00 0.00 C ATOM 117 NZ LYS A 10 9.403 1.990 -17.441 1.00 0.00 N ATOM 0 H LYS A 10 6.406 4.871 -13.024 1.00 0.00 H new ATOM 0 HA LYS A 10 7.313 2.187 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.768 4.810 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.506 3.232 -13.442 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.060 4.170 -15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.704 4.280 -15.610 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.792 1.686 -15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.045 1.802 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.380 1.381 -17.328 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.613 3.117 -17.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.417 1.947 -18.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.998 2.780 -17.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.772 1.098 -17.053 1.00 0.00 H new ATOM 131 N GLN A 11 8.091 4.091 -10.379 1.00 0.00 N ATOM 132 CA GLN A 11 8.580 4.064 -9.011 1.00 0.00 C ATOM 133 C GLN A 11 7.694 3.162 -8.149 1.00 0.00 C ATOM 134 O GLN A 11 8.169 2.179 -7.581 1.00 0.00 O ATOM 135 CB GLN A 11 8.655 5.477 -8.428 1.00 0.00 C ATOM 136 CG GLN A 11 9.306 6.445 -9.418 1.00 0.00 C ATOM 137 CD GLN A 11 10.241 7.419 -8.699 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.135 7.034 -7.964 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.985 8.700 -8.951 1.00 0.00 N ATOM 0 H GLN A 11 7.762 5.003 -10.697 1.00 0.00 H new ATOM 0 HA GLN A 11 9.590 3.653 -9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.653 5.825 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.226 5.461 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.866 5.884 -10.166 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.534 7.002 -9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.221 8.954 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.553 9.428 -8.518 1.00 0.00 H new ATOM 148 N VAL A 12 6.423 3.528 -8.078 1.00 0.00 N ATOM 149 CA VAL A 12 5.467 2.764 -7.295 1.00 0.00 C ATOM 150 C VAL A 12 5.698 1.270 -7.531 1.00 0.00 C ATOM 151 O VAL A 12 5.977 0.526 -6.592 1.00 0.00 O ATOM 152 CB VAL A 12 4.042 3.208 -7.630 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.012 2.361 -6.879 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.847 4.697 -7.335 1.00 0.00 C ATOM 0 H VAL A 12 6.033 4.344 -8.550 1.00 0.00 H new ATOM 0 HA VAL A 12 5.610 2.951 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 12 3.887 3.055 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.008 2.698 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.127 1.314 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.167 2.467 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.826 4.986 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.032 4.886 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.545 5.281 -7.935 1.00 0.00 H new ATOM 164 N GLU A 13 5.574 0.877 -8.790 1.00 0.00 N ATOM 165 CA GLU A 13 5.767 -0.515 -9.161 1.00 0.00 C ATOM 166 C GLU A 13 6.996 -1.088 -8.453 1.00 0.00 C ATOM 167 O GLU A 13 6.907 -2.111 -7.776 1.00 0.00 O ATOM 168 CB GLU A 13 5.888 -0.666 -10.679 1.00 0.00 C ATOM 169 CG GLU A 13 4.598 -0.233 -11.378 1.00 0.00 C ATOM 170 CD GLU A 13 3.572 -1.368 -11.386 1.00 0.00 C ATOM 171 OE1 GLU A 13 3.593 -2.160 -10.419 1.00 0.00 O ATOM 172 OE2 GLU A 13 2.789 -1.419 -12.360 1.00 0.00 O ATOM 0 H GLU A 13 5.342 1.497 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 13 4.892 -1.081 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.722 -0.065 -11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.110 -1.704 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.180 0.637 -10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.819 0.070 -12.402 1.00 0.00 H new ATOM 179 N LEU A 14 8.116 -0.404 -8.634 1.00 0.00 N ATOM 180 CA LEU A 14 9.362 -0.832 -8.021 1.00 0.00 C ATOM 181 C LEU A 14 9.161 -0.970 -6.511 1.00 0.00 C ATOM 182 O LEU A 14 9.576 -1.962 -5.914 1.00 0.00 O ATOM 183 CB LEU A 14 10.502 0.114 -8.406 1.00 0.00 C ATOM 184 CG LEU A 14 11.897 -0.285 -7.922 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.214 -1.734 -8.296 1.00 0.00 C ATOM 186 CD2 LEU A 14 12.957 0.687 -8.444 1.00 0.00 C ATOM 0 H LEU A 14 8.187 0.444 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 14 9.653 -1.813 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.526 0.198 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.273 1.105 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 14 11.911 -0.223 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.212 -1.992 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.482 -2.397 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.175 -1.847 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.940 0.381 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.951 0.681 -9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.737 1.692 -8.085 1.00 0.00 H new ATOM 198 N LEU A 15 8.525 0.041 -5.936 1.00 0.00 N ATOM 199 CA LEU A 15 8.265 0.045 -4.506 1.00 0.00 C ATOM 200 C LEU A 15 7.501 -1.226 -4.128 1.00 0.00 C ATOM 201 O LEU A 15 8.038 -2.098 -3.448 1.00 0.00 O ATOM 202 CB LEU A 15 7.553 1.335 -4.095 1.00 0.00 C ATOM 203 CG LEU A 15 6.984 1.364 -2.675 1.00 0.00 C ATOM 204 CD1 LEU A 15 8.099 1.248 -1.635 1.00 0.00 C ATOM 205 CD2 LEU A 15 6.122 2.609 -2.455 1.00 0.00 C ATOM 0 H LEU A 15 8.182 0.862 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 15 9.201 0.033 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.254 2.163 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.738 1.516 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 15 6.335 0.497 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.667 1.271 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.634 0.309 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.792 2.081 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.730 2.605 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.728 3.502 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.293 2.608 -3.163 1.00 0.00 H new ATOM 217 N PHE A 16 6.259 -1.290 -4.585 1.00 0.00 N ATOM 218 CA PHE A 16 5.416 -2.439 -4.303 1.00 0.00 C ATOM 219 C PHE A 16 6.172 -3.747 -4.547 1.00 0.00 C ATOM 220 O PHE A 16 6.240 -4.602 -3.665 1.00 0.00 O ATOM 221 CB PHE A 16 4.225 -2.366 -5.262 1.00 0.00 C ATOM 222 CG PHE A 16 3.174 -1.326 -4.870 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.422 -0.459 -3.852 1.00 0.00 C ATOM 224 CD2 PHE A 16 1.992 -1.268 -5.540 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.446 0.507 -3.488 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.016 -0.302 -5.177 1.00 0.00 C ATOM 227 CZ PHE A 16 1.264 0.565 -4.158 1.00 0.00 C ATOM 0 H PHE A 16 5.816 -0.564 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 16 5.101 -2.422 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.591 -2.138 -6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.751 -3.346 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.361 -0.505 -3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.795 -1.957 -6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.643 1.195 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.078 -0.256 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.522 1.299 -3.881 1.00 0.00 H new ATOM 237 N ASN A 17 6.721 -3.861 -5.747 1.00 0.00 N ATOM 238 CA ASN A 17 7.469 -5.050 -6.118 1.00 0.00 C ATOM 239 C ASN A 17 8.618 -5.253 -5.128 1.00 0.00 C ATOM 240 O ASN A 17 8.883 -6.376 -4.701 1.00 0.00 O ATOM 241 CB ASN A 17 8.071 -4.908 -7.517 1.00 0.00 C ATOM 242 CG ASN A 17 7.043 -5.262 -8.594 1.00 0.00 C ATOM 243 OD1 ASN A 17 5.874 -4.924 -8.508 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.543 -5.959 -9.611 1.00 0.00 N ATOM 0 H ASN A 17 6.663 -3.149 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 17 6.784 -5.897 -6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.421 -3.886 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.940 -5.559 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.938 -6.243 -10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.532 -6.209 -9.621 1.00 0.00 H new ATOM 251 N THR A 18 9.270 -4.149 -4.792 1.00 0.00 N ATOM 252 CA THR A 18 10.384 -4.192 -3.860 1.00 0.00 C ATOM 253 C THR A 18 9.913 -4.677 -2.487 1.00 0.00 C ATOM 254 O THR A 18 10.451 -5.642 -1.947 1.00 0.00 O ATOM 255 CB THR A 18 11.026 -2.804 -3.827 1.00 0.00 C ATOM 256 OG1 THR A 18 11.695 -2.701 -5.081 1.00 0.00 O ATOM 257 CG2 THR A 18 12.152 -2.704 -2.795 1.00 0.00 C ATOM 0 H THR A 18 9.048 -3.220 -5.149 1.00 0.00 H new ATOM 0 HA THR A 18 11.140 -4.908 -4.180 1.00 0.00 H new ATOM 0 HB THR A 18 10.264 -2.057 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.158 -2.157 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.573 -1.699 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.755 -2.914 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.931 -3.428 -3.035 1.00 0.00 H new ATOM 265 N ARG A 19 8.913 -3.984 -1.962 1.00 0.00 N ATOM 266 CA ARG A 19 8.363 -4.332 -0.663 1.00 0.00 C ATOM 267 C ARG A 19 8.015 -5.821 -0.615 1.00 0.00 C ATOM 268 O ARG A 19 8.311 -6.500 0.367 1.00 0.00 O ATOM 269 CB ARG A 19 7.108 -3.512 -0.358 1.00 0.00 C ATOM 270 CG ARG A 19 7.425 -2.015 -0.328 1.00 0.00 C ATOM 271 CD ARG A 19 8.649 -1.731 0.546 1.00 0.00 C ATOM 272 NE ARG A 19 8.495 -2.392 1.862 1.00 0.00 N ATOM 273 CZ ARG A 19 9.417 -2.354 2.833 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.564 -1.689 2.643 1.00 0.00 N ATOM 275 NH2 ARG A 19 9.192 -2.982 3.995 1.00 0.00 N ATOM 0 H ARG A 19 8.470 -3.184 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 19 9.121 -4.108 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.347 -3.711 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.693 -3.819 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.607 -1.658 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.565 -1.465 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.551 -2.092 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.768 -0.656 0.681 1.00 0.00 H new ATOM 0 HE ARG A 19 7.634 -2.908 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.736 -1.211 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.266 -1.661 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.319 -3.489 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.894 -2.953 4.735 1.00 0.00 H new ATOM 289 N TYR A 20 7.391 -6.285 -1.688 1.00 0.00 N ATOM 290 CA TYR A 20 6.999 -7.681 -1.780 1.00 0.00 C ATOM 291 C TYR A 20 8.190 -8.604 -1.512 1.00 0.00 C ATOM 292 O TYR A 20 8.067 -9.584 -0.779 1.00 0.00 O ATOM 293 CB TYR A 20 6.521 -7.890 -3.218 1.00 0.00 C ATOM 294 CG TYR A 20 5.859 -9.248 -3.463 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.794 -9.647 -2.680 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.326 -10.073 -4.465 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.171 -10.924 -2.910 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.702 -11.350 -4.695 1.00 0.00 C ATOM 299 CZ TYR A 20 4.656 -11.713 -3.906 1.00 0.00 C ATOM 300 OH TYR A 20 4.067 -12.920 -4.124 1.00 0.00 O ATOM 0 H TYR A 20 7.147 -5.719 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 20 6.228 -7.913 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.813 -7.101 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.372 -7.785 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.429 -9.001 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.160 -9.761 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.337 -11.248 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.057 -12.005 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 20 4.517 -13.374 -4.867 1.00 0.00 H new ATOM 310 N ALA A 21 9.315 -8.257 -2.119 1.00 0.00 N ATOM 311 CA ALA A 21 10.527 -9.041 -1.955 1.00 0.00 C ATOM 312 C ALA A 21 10.740 -9.338 -0.469 1.00 0.00 C ATOM 313 O ALA A 21 10.973 -10.484 -0.089 1.00 0.00 O ATOM 314 CB ALA A 21 11.708 -8.293 -2.575 1.00 0.00 C ATOM 0 H ALA A 21 9.413 -7.443 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 21 10.439 -9.996 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.617 -8.882 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.521 -8.133 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.829 -7.330 -2.079 1.00 0.00 H new ATOM 320 N LYS A 22 10.651 -8.285 0.330 1.00 0.00 N ATOM 321 CA LYS A 22 10.831 -8.419 1.766 1.00 0.00 C ATOM 322 C LYS A 22 9.783 -9.387 2.319 1.00 0.00 C ATOM 323 O LYS A 22 10.019 -10.054 3.326 1.00 0.00 O ATOM 324 CB LYS A 22 10.814 -7.044 2.438 1.00 0.00 C ATOM 325 CG LYS A 22 11.313 -7.134 3.882 1.00 0.00 C ATOM 326 CD LYS A 22 11.461 -5.742 4.498 1.00 0.00 C ATOM 327 CE LYS A 22 11.915 -5.833 5.956 1.00 0.00 C ATOM 328 NZ LYS A 22 12.296 -4.496 6.465 1.00 0.00 N ATOM 0 H LYS A 22 10.457 -7.336 0.011 1.00 0.00 H new ATOM 0 HA LYS A 22 11.809 -8.846 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.441 -6.352 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.802 -6.641 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.616 -7.726 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.272 -7.651 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.183 -5.161 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.510 -5.213 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.113 -6.246 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.762 -6.515 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.602 -4.576 7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.076 -4.116 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.478 -3.856 6.405 1.00 0.00 H new ATOM 342 N ALA A 23 8.648 -9.433 1.637 1.00 0.00 N ATOM 343 CA ALA A 23 7.564 -10.308 2.048 1.00 0.00 C ATOM 344 C ALA A 23 7.916 -11.753 1.688 1.00 0.00 C ATOM 345 O ALA A 23 7.329 -12.691 2.225 1.00 0.00 O ATOM 346 CB ALA A 23 6.259 -9.846 1.395 1.00 0.00 C ATOM 0 H ALA A 23 8.456 -8.878 0.803 1.00 0.00 H new ATOM 0 HA ALA A 23 7.423 -10.262 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.445 -10.503 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.039 -8.825 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.362 -9.881 0.310 1.00 0.00 H new ATOM 352 N ILE A 24 8.873 -11.887 0.781 1.00 0.00 N ATOM 353 CA ILE A 24 9.310 -13.201 0.343 1.00 0.00 C ATOM 354 C ILE A 24 10.766 -13.416 0.761 1.00 0.00 C ATOM 355 O ILE A 24 11.353 -14.456 0.467 1.00 0.00 O ATOM 356 CB ILE A 24 9.070 -13.373 -1.159 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.645 -12.192 -1.944 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.585 -13.590 -1.456 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.606 -12.464 -3.449 1.00 0.00 C ATOM 0 H ILE A 24 9.358 -11.107 0.338 1.00 0.00 H new ATOM 0 HA ILE A 24 8.720 -13.979 0.828 1.00 0.00 H new ATOM 0 HB ILE A 24 9.598 -14.268 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.077 -11.290 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.673 -12.008 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.442 -13.709 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.238 -14.487 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.015 -12.729 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.020 -11.609 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.195 -13.353 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.575 -12.624 -3.763 1.00 0.00 H new ATOM 371 N GLY A 25 11.306 -12.415 1.442 1.00 0.00 N ATOM 372 CA GLY A 25 12.682 -12.481 1.904 1.00 0.00 C ATOM 373 C GLY A 25 13.660 -12.305 0.740 1.00 0.00 C ATOM 374 O GLY A 25 14.771 -12.831 0.774 1.00 0.00 O ATOM 0 H GLY A 25 10.815 -11.554 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.856 -11.706 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.860 -13.439 2.392 1.00 0.00 H new ATOM 378 N ILE A 26 13.211 -11.562 -0.261 1.00 0.00 N ATOM 379 CA ILE A 26 14.033 -11.310 -1.432 1.00 0.00 C ATOM 380 C ILE A 26 14.718 -9.949 -1.286 1.00 0.00 C ATOM 381 O ILE A 26 14.240 -9.085 -0.552 1.00 0.00 O ATOM 382 CB ILE A 26 13.202 -11.445 -2.709 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.901 -12.914 -3.014 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.884 -10.744 -3.885 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.737 -13.140 -4.518 1.00 0.00 C ATOM 0 H ILE A 26 12.289 -11.127 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 26 14.822 -12.058 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 26 12.246 -10.946 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.708 -13.541 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.991 -13.218 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.272 -10.856 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.004 -9.685 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.863 -11.191 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.524 -14.192 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.913 -12.531 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.657 -12.859 -5.031 1.00 0.00 H new ATOM 397 N SER A 27 15.826 -9.801 -1.996 1.00 0.00 N ATOM 398 CA SER A 27 16.582 -8.561 -1.955 1.00 0.00 C ATOM 399 C SER A 27 16.134 -7.637 -3.089 1.00 0.00 C ATOM 400 O SER A 27 16.037 -6.425 -2.906 1.00 0.00 O ATOM 401 CB SER A 27 18.085 -8.828 -2.050 1.00 0.00 C ATOM 402 OG SER A 27 18.465 -9.284 -3.345 1.00 0.00 O ATOM 0 H SER A 27 16.219 -10.520 -2.604 1.00 0.00 H new ATOM 0 HA SER A 27 16.387 -8.074 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.631 -7.915 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.369 -9.572 -1.306 1.00 0.00 H new ATOM 0 HG SER A 27 19.432 -9.442 -3.366 1.00 0.00 H new ATOM 408 N GLU A 28 15.872 -8.246 -4.237 1.00 0.00 N ATOM 409 CA GLU A 28 15.437 -7.493 -5.401 1.00 0.00 C ATOM 410 C GLU A 28 13.909 -7.411 -5.439 1.00 0.00 C ATOM 411 O GLU A 28 13.228 -8.093 -4.675 1.00 0.00 O ATOM 412 CB GLU A 28 15.985 -8.110 -6.689 1.00 0.00 C ATOM 413 CG GLU A 28 17.182 -9.017 -6.396 1.00 0.00 C ATOM 414 CD GLU A 28 18.033 -9.224 -7.651 1.00 0.00 C ATOM 415 OE1 GLU A 28 18.135 -8.255 -8.434 1.00 0.00 O ATOM 416 OE2 GLU A 28 18.561 -10.347 -7.800 1.00 0.00 O ATOM 0 H GLU A 28 15.953 -9.252 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 28 15.834 -6.481 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.201 -8.684 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.283 -7.319 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 28 17.792 -8.577 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.831 -9.981 -6.027 1.00 0.00 H new ATOM 423 N PRO A 29 13.403 -6.548 -6.360 1.00 0.00 N ATOM 424 CA PRO A 29 11.969 -6.369 -6.508 1.00 0.00 C ATOM 425 C PRO A 29 11.338 -7.562 -7.228 1.00 0.00 C ATOM 426 O PRO A 29 11.935 -8.126 -8.144 1.00 0.00 O ATOM 427 CB PRO A 29 11.813 -5.064 -7.272 1.00 0.00 C ATOM 428 CG PRO A 29 13.159 -4.800 -7.927 1.00 0.00 C ATOM 429 CD PRO A 29 14.179 -5.725 -7.282 1.00 0.00 C ATOM 0 HA PRO A 29 11.450 -6.320 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.024 -5.141 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.539 -4.250 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.104 -4.981 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.451 -3.758 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.686 -6.337 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.949 -5.160 -6.756 1.00 0.00 H new ATOM 437 N VAL A 30 10.139 -7.912 -6.787 1.00 0.00 N ATOM 438 CA VAL A 30 9.420 -9.029 -7.377 1.00 0.00 C ATOM 439 C VAL A 30 7.995 -8.589 -7.720 1.00 0.00 C ATOM 440 O VAL A 30 7.539 -7.541 -7.265 1.00 0.00 O ATOM 441 CB VAL A 30 9.464 -10.235 -6.437 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.512 -11.335 -6.913 1.00 0.00 C ATOM 443 CG2 VAL A 30 10.891 -10.768 -6.295 1.00 0.00 C ATOM 0 H VAL A 30 9.647 -7.442 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 30 9.896 -9.341 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 30 9.131 -9.906 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.562 -12.181 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.493 -10.948 -6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.802 -11.660 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.894 -11.625 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.264 -11.073 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.533 -9.986 -5.890 1.00 0.00 H new ATOM 453 N LYS A 31 7.332 -9.411 -8.519 1.00 0.00 N ATOM 454 CA LYS A 31 5.969 -9.120 -8.928 1.00 0.00 C ATOM 455 C LYS A 31 5.037 -9.271 -7.724 1.00 0.00 C ATOM 456 O LYS A 31 5.244 -10.140 -6.879 1.00 0.00 O ATOM 457 CB LYS A 31 5.572 -9.987 -10.125 1.00 0.00 C ATOM 458 CG LYS A 31 6.387 -9.615 -11.365 1.00 0.00 C ATOM 459 CD LYS A 31 5.839 -10.314 -12.611 1.00 0.00 C ATOM 460 CE LYS A 31 6.816 -11.377 -13.118 1.00 0.00 C ATOM 461 NZ LYS A 31 6.080 -12.534 -13.676 1.00 0.00 N ATOM 0 H LYS A 31 7.714 -10.279 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 31 5.886 -8.088 -9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.728 -11.039 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.509 -9.862 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.363 -8.535 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.430 -9.894 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.880 -10.777 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.657 -9.579 -13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.465 -10.948 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.459 -11.707 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.758 -13.246 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.479 -12.952 -12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.485 -12.218 -14.468 1.00 0.00 H new ATOM 475 N VAL A 32 4.030 -8.410 -7.684 1.00 0.00 N ATOM 476 CA VAL A 32 3.066 -8.436 -6.597 1.00 0.00 C ATOM 477 C VAL A 32 1.758 -9.054 -7.096 1.00 0.00 C ATOM 478 O VAL A 32 1.111 -8.508 -7.989 1.00 0.00 O ATOM 479 CB VAL A 32 2.883 -7.028 -6.026 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.529 -6.892 -5.327 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.028 -6.668 -5.078 1.00 0.00 C ATOM 0 H VAL A 32 3.861 -7.690 -8.387 1.00 0.00 H new ATOM 0 HA VAL A 32 3.429 -9.059 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 32 2.903 -6.324 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.424 -5.882 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.729 -7.086 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.467 -7.611 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.874 -5.663 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.054 -7.379 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.974 -6.705 -5.619 1.00 0.00 H new ATOM 491 N PRO A 33 1.399 -10.213 -6.483 1.00 0.00 N ATOM 492 CA PRO A 33 0.180 -10.911 -6.856 1.00 0.00 C ATOM 493 C PRO A 33 -1.053 -10.195 -6.301 1.00 0.00 C ATOM 494 O PRO A 33 -1.761 -10.738 -5.454 1.00 0.00 O ATOM 495 CB PRO A 33 0.349 -12.318 -6.306 1.00 0.00 C ATOM 496 CG PRO A 33 1.439 -12.225 -5.251 1.00 0.00 C ATOM 497 CD PRO A 33 2.142 -10.888 -5.423 1.00 0.00 C ATOM 0 HA PRO A 33 0.022 -10.936 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.583 -12.683 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.628 -13.015 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.011 -12.305 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.148 -13.046 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.126 -10.310 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.188 -11.023 -5.697 1.00 0.00 H new ATOM 505 N TYR A 34 -1.272 -8.988 -6.800 1.00 0.00 N ATOM 506 CA TYR A 34 -2.407 -8.192 -6.365 1.00 0.00 C ATOM 507 C TYR A 34 -3.627 -9.076 -6.101 1.00 0.00 C ATOM 508 O TYR A 34 -4.151 -9.102 -4.988 1.00 0.00 O ATOM 509 CB TYR A 34 -2.722 -7.240 -7.520 1.00 0.00 C ATOM 510 CG TYR A 34 -1.645 -6.182 -7.766 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.979 -5.614 -6.700 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.339 -5.796 -9.056 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.035 -4.618 -6.931 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.324 -4.800 -9.288 1.00 0.00 C ATOM 515 CZ TYR A 34 0.312 -4.260 -8.214 1.00 0.00 C ATOM 516 OH TYR A 34 1.270 -3.320 -8.433 1.00 0.00 O ATOM 0 H TYR A 34 -0.682 -8.541 -7.502 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.174 -7.664 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.859 -7.823 -8.431 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.669 -6.739 -7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.218 -5.917 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.860 -6.241 -9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.563 -4.166 -6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.074 -4.489 -10.292 1.00 0.00 H new ATOM 0 HH TYR A 34 1.362 -3.165 -9.396 1.00 0.00 H new ATOM 526 N SER A 35 -4.044 -9.780 -7.143 1.00 0.00 N ATOM 527 CA SER A 35 -5.193 -10.663 -7.038 1.00 0.00 C ATOM 528 C SER A 35 -5.157 -11.413 -5.705 1.00 0.00 C ATOM 529 O SER A 35 -6.103 -11.340 -4.921 1.00 0.00 O ATOM 530 CB SER A 35 -5.235 -11.655 -8.203 1.00 0.00 C ATOM 531 OG SER A 35 -5.040 -11.010 -9.459 1.00 0.00 O ATOM 0 H SER A 35 -3.607 -9.757 -8.064 1.00 0.00 H new ATOM 0 HA SER A 35 -6.096 -10.054 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.465 -12.414 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.195 -12.171 -8.205 1.00 0.00 H new ATOM 0 HG SER A 35 -5.072 -11.676 -10.177 1.00 0.00 H new ATOM 537 N LYS A 36 -4.055 -12.116 -5.487 1.00 0.00 N ATOM 538 CA LYS A 36 -3.883 -12.878 -4.262 1.00 0.00 C ATOM 539 C LYS A 36 -4.276 -12.009 -3.066 1.00 0.00 C ATOM 540 O LYS A 36 -4.976 -12.467 -2.165 1.00 0.00 O ATOM 541 CB LYS A 36 -2.462 -13.438 -4.175 1.00 0.00 C ATOM 542 CG LYS A 36 -2.166 -14.371 -5.351 1.00 0.00 C ATOM 543 CD LYS A 36 -3.039 -15.626 -5.287 1.00 0.00 C ATOM 544 CE LYS A 36 -2.720 -16.575 -6.444 1.00 0.00 C ATOM 545 NZ LYS A 36 -3.910 -17.379 -6.799 1.00 0.00 N ATOM 0 H LYS A 36 -3.272 -12.174 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.544 -13.745 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.744 -12.618 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.338 -13.979 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.344 -13.847 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.114 -14.654 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.878 -16.137 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.091 -15.344 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.389 -16.003 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.898 -17.235 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.676 -18.017 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.208 -17.940 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.684 -16.746 -7.086 1.00 0.00 H new ATOM 559 N PHE A 37 -3.808 -10.769 -3.097 1.00 0.00 N ATOM 560 CA PHE A 37 -4.102 -9.832 -2.027 1.00 0.00 C ATOM 561 C PHE A 37 -5.534 -9.303 -2.139 1.00 0.00 C ATOM 562 O PHE A 37 -6.119 -8.870 -1.147 1.00 0.00 O ATOM 563 CB PHE A 37 -3.126 -8.663 -2.176 1.00 0.00 C ATOM 564 CG PHE A 37 -1.728 -8.946 -1.623 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.873 -9.746 -2.313 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.340 -8.396 -0.440 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.425 -10.009 -1.800 1.00 0.00 C ATOM 568 CE2 PHE A 37 -0.043 -8.659 0.073 1.00 0.00 C ATOM 569 CZ PHE A 37 0.813 -9.459 -0.618 1.00 0.00 C ATOM 0 H PHE A 37 -3.228 -10.392 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.001 -10.327 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.043 -8.405 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.538 -7.792 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.181 -10.182 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.019 -7.760 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.104 -10.645 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.264 -8.224 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.800 -9.657 -0.228 1.00 0.00 H new ATOM 579 N LEU A 38 -6.056 -9.355 -3.356 1.00 0.00 N ATOM 580 CA LEU A 38 -7.408 -8.886 -3.610 1.00 0.00 C ATOM 581 C LEU A 38 -8.408 -9.919 -3.086 1.00 0.00 C ATOM 582 O LEU A 38 -9.233 -9.609 -2.228 1.00 0.00 O ATOM 583 CB LEU A 38 -7.589 -8.553 -5.092 1.00 0.00 C ATOM 584 CG LEU A 38 -6.738 -7.400 -5.629 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.888 -7.267 -7.146 1.00 0.00 C ATOM 586 CD2 LEU A 38 -7.065 -6.093 -4.904 1.00 0.00 C ATOM 0 H LEU A 38 -5.568 -9.714 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.597 -7.957 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.364 -9.446 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.639 -8.315 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.691 -7.627 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.273 -6.440 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.566 -8.191 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.932 -7.075 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.446 -5.290 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.117 -5.849 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.865 -6.208 -3.839 1.00 0.00 H new ATOM 598 N MET A 39 -8.301 -11.125 -3.624 1.00 0.00 N ATOM 599 CA MET A 39 -9.186 -12.205 -3.221 1.00 0.00 C ATOM 600 C MET A 39 -8.916 -12.624 -1.774 1.00 0.00 C ATOM 601 O MET A 39 -9.787 -13.189 -1.115 1.00 0.00 O ATOM 602 CB MET A 39 -8.982 -13.405 -4.147 1.00 0.00 C ATOM 603 CG MET A 39 -9.164 -13.004 -5.612 1.00 0.00 C ATOM 604 SD MET A 39 -9.146 -14.456 -6.650 1.00 0.00 S ATOM 605 CE MET A 39 -7.398 -14.820 -6.643 1.00 0.00 C ATOM 0 H MET A 39 -7.615 -11.378 -4.335 1.00 0.00 H new ATOM 0 HA MET A 39 -10.215 -11.852 -3.291 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.983 -13.817 -4.000 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.692 -14.192 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.106 -12.469 -5.737 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.368 -12.322 -5.912 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.105 -15.218 -7.614 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.837 -13.907 -6.441 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.183 -15.557 -5.869 1.00 0.00 H new ATOM 615 N HIS A 40 -7.705 -12.332 -1.324 1.00 0.00 N ATOM 616 CA HIS A 40 -7.309 -12.672 0.033 1.00 0.00 C ATOM 617 C HIS A 40 -6.710 -11.441 0.716 1.00 0.00 C ATOM 618 O HIS A 40 -5.510 -11.395 0.980 1.00 0.00 O ATOM 619 CB HIS A 40 -6.361 -13.872 0.037 1.00 0.00 C ATOM 620 CG HIS A 40 -6.735 -14.954 -0.948 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.544 -16.026 -0.613 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.403 -15.118 -2.261 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.685 -16.794 -1.683 1.00 0.00 C ATOM 624 NE2 HIS A 40 -6.977 -16.230 -2.703 1.00 0.00 N ATOM 0 H HIS A 40 -6.985 -11.864 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.185 -12.973 0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.352 -13.525 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.337 -14.300 1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.779 -14.455 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.260 -17.707 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.901 -16.602 -3.650 1.00 0.00 H new ATOM 632 N PRO A 41 -7.598 -10.448 0.991 1.00 0.00 N ATOM 633 CA PRO A 41 -7.169 -9.220 1.639 1.00 0.00 C ATOM 634 C PRO A 41 -6.910 -9.447 3.129 1.00 0.00 C ATOM 635 O PRO A 41 -6.110 -8.740 3.739 1.00 0.00 O ATOM 636 CB PRO A 41 -8.289 -8.225 1.375 1.00 0.00 C ATOM 637 CG PRO A 41 -9.503 -9.056 0.995 1.00 0.00 C ATOM 638 CD PRO A 41 -9.027 -10.467 0.693 1.00 0.00 C ATOM 0 HA PRO A 41 -6.222 -8.847 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.491 -7.620 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.020 -7.537 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.229 -9.064 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.002 -8.627 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.550 -11.201 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.211 -10.733 -0.348 1.00 0.00 H new ATOM 646 N GLU A 42 -7.603 -10.437 3.673 1.00 0.00 N ATOM 647 CA GLU A 42 -7.458 -10.767 5.081 1.00 0.00 C ATOM 648 C GLU A 42 -6.160 -11.543 5.313 1.00 0.00 C ATOM 649 O GLU A 42 -5.550 -11.436 6.376 1.00 0.00 O ATOM 650 CB GLU A 42 -8.667 -11.557 5.586 1.00 0.00 C ATOM 651 CG GLU A 42 -9.645 -10.646 6.331 1.00 0.00 C ATOM 652 CD GLU A 42 -9.998 -11.226 7.702 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.692 -12.265 7.717 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.566 -10.616 8.705 1.00 0.00 O ATOM 0 H GLU A 42 -8.266 -11.021 3.164 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.409 -9.838 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.174 -12.030 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.333 -12.356 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.205 -9.656 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.553 -10.520 5.741 1.00 0.00 H new ATOM 661 N GLU A 43 -5.776 -12.307 4.301 1.00 0.00 N ATOM 662 CA GLU A 43 -4.561 -13.101 4.382 1.00 0.00 C ATOM 663 C GLU A 43 -3.357 -12.276 3.925 1.00 0.00 C ATOM 664 O GLU A 43 -2.371 -12.156 4.650 1.00 0.00 O ATOM 665 CB GLU A 43 -4.690 -14.385 3.560 1.00 0.00 C ATOM 666 CG GLU A 43 -5.734 -15.324 4.168 1.00 0.00 C ATOM 667 CD GLU A 43 -7.145 -14.759 3.997 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.747 -15.046 2.940 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.591 -14.053 4.928 1.00 0.00 O ATOM 0 H GLU A 43 -6.284 -12.393 3.421 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.406 -13.388 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.970 -14.139 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.725 -14.890 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.670 -16.302 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.523 -15.471 5.227 1.00 0.00 H new ATOM 676 N LEU A 44 -3.476 -11.727 2.725 1.00 0.00 N ATOM 677 CA LEU A 44 -2.409 -10.917 2.163 1.00 0.00 C ATOM 678 C LEU A 44 -2.887 -9.469 2.036 1.00 0.00 C ATOM 679 O LEU A 44 -3.872 -9.194 1.353 1.00 0.00 O ATOM 680 CB LEU A 44 -1.916 -11.519 0.845 1.00 0.00 C ATOM 681 CG LEU A 44 -1.989 -13.043 0.736 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.944 -13.490 -0.727 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.891 -13.705 1.571 1.00 0.00 C ATOM 0 H LEU A 44 -4.296 -11.827 2.126 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.545 -10.912 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.499 -11.088 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.881 -11.213 0.693 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.945 -13.370 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.997 -14.578 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.789 -13.060 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.014 -13.151 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.965 -14.788 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.085 -13.376 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.010 -13.423 2.617 1.00 0.00 H new ATOM 695 N PHE A 45 -2.167 -8.581 2.706 1.00 0.00 N ATOM 696 CA PHE A 45 -2.505 -7.168 2.678 1.00 0.00 C ATOM 697 C PHE A 45 -1.251 -6.302 2.807 1.00 0.00 C ATOM 698 O PHE A 45 -0.144 -6.821 2.939 1.00 0.00 O ATOM 699 CB PHE A 45 -3.419 -6.903 3.875 1.00 0.00 C ATOM 700 CG PHE A 45 -2.831 -7.342 5.217 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.934 -6.547 5.860 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.204 -8.528 5.768 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.388 -6.955 7.105 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.658 -8.936 7.013 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.761 -8.141 7.656 1.00 0.00 C ATOM 0 H PHE A 45 -1.351 -8.813 3.272 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.990 -6.920 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.642 -5.837 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.365 -7.421 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.637 -5.605 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.916 -9.160 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.676 -6.323 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.955 -9.878 7.450 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.345 -8.451 8.603 1.00 0.00 H new ATOM 715 N VAL A 46 -1.466 -4.995 2.765 1.00 0.00 N ATOM 716 CA VAL A 46 -0.367 -4.051 2.875 1.00 0.00 C ATOM 717 C VAL A 46 -0.622 -3.114 4.058 1.00 0.00 C ATOM 718 O VAL A 46 -1.765 -2.757 4.336 1.00 0.00 O ATOM 719 CB VAL A 46 -0.181 -3.306 1.552 1.00 0.00 C ATOM 720 CG1 VAL A 46 0.827 -2.165 1.702 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.239 -4.266 0.437 1.00 0.00 C ATOM 0 H VAL A 46 -2.386 -4.568 2.656 1.00 0.00 H new ATOM 0 HA VAL A 46 0.568 -4.576 3.071 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.141 -2.870 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.941 -1.652 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.469 -1.460 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.790 -2.569 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.364 -3.711 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.181 -4.744 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.529 -5.028 0.304 1.00 0.00 H new ATOM 731 N VAL A 47 0.463 -2.743 4.722 1.00 0.00 N ATOM 732 CA VAL A 47 0.371 -1.855 5.868 1.00 0.00 C ATOM 733 C VAL A 47 1.360 -0.701 5.694 1.00 0.00 C ATOM 734 O VAL A 47 2.435 -0.880 5.123 1.00 0.00 O ATOM 735 CB VAL A 47 0.594 -2.643 7.161 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.677 -3.388 7.575 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.773 -3.608 7.018 1.00 0.00 C ATOM 0 H VAL A 47 1.410 -3.041 4.488 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.627 -1.421 5.935 1.00 0.00 H new ATOM 0 HB VAL A 47 0.837 -1.931 7.950 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.491 -3.940 8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.482 -2.672 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.964 -4.084 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.910 -4.156 7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.571 -4.312 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.678 -3.045 6.791 1.00 0.00 H new ATOM 747 N GLY A 48 0.961 0.459 6.196 1.00 0.00 N ATOM 748 CA GLY A 48 1.799 1.642 6.103 1.00 0.00 C ATOM 749 C GLY A 48 1.273 2.604 5.036 1.00 0.00 C ATOM 750 O GLY A 48 1.540 3.804 5.090 1.00 0.00 O ATOM 0 H GLY A 48 0.069 0.604 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.831 2.146 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.821 1.350 5.862 1.00 0.00 H new ATOM 754 N LEU A 49 0.534 2.042 4.091 1.00 0.00 N ATOM 755 CA LEU A 49 -0.032 2.834 3.013 1.00 0.00 C ATOM 756 C LEU A 49 -0.620 4.124 3.588 1.00 0.00 C ATOM 757 O LEU A 49 -1.014 4.165 4.752 1.00 0.00 O ATOM 758 CB LEU A 49 -1.036 2.006 2.209 1.00 0.00 C ATOM 759 CG LEU A 49 -0.442 1.069 1.155 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.466 0.022 0.712 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.117 1.861 -0.029 1.00 0.00 C ATOM 0 H LEU A 49 0.314 1.047 4.050 1.00 0.00 H new ATOM 0 HA LEU A 49 0.745 3.124 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.625 1.410 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.725 2.689 1.712 1.00 0.00 H new ATOM 0 HG LEU A 49 0.392 0.532 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.018 -0.631 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.775 -0.572 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.336 0.521 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.533 1.172 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.683 2.442 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.899 2.535 0.321 1.00 0.00 H new ATOM 773 N PRO A 50 -0.661 5.173 2.723 1.00 0.00 N ATOM 774 CA PRO A 50 -1.194 6.461 3.134 1.00 0.00 C ATOM 775 C PRO A 50 -2.721 6.422 3.213 1.00 0.00 C ATOM 776 O PRO A 50 -3.348 5.486 2.720 1.00 0.00 O ATOM 777 CB PRO A 50 -0.677 7.448 2.100 1.00 0.00 C ATOM 778 CG PRO A 50 -0.265 6.614 0.897 1.00 0.00 C ATOM 779 CD PRO A 50 -0.202 5.161 1.337 1.00 0.00 C ATOM 0 HA PRO A 50 -0.874 6.749 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.448 8.170 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.168 8.015 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.981 6.736 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.704 6.941 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.838 4.531 0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.811 4.767 1.259 1.00 0.00 H new ATOM 787 N GLU A 51 -3.276 7.451 3.838 1.00 0.00 N ATOM 788 CA GLU A 51 -4.718 7.546 3.988 1.00 0.00 C ATOM 789 C GLU A 51 -5.381 7.746 2.624 1.00 0.00 C ATOM 790 O GLU A 51 -4.851 8.454 1.769 1.00 0.00 O ATOM 791 CB GLU A 51 -5.095 8.673 4.952 1.00 0.00 C ATOM 792 CG GLU A 51 -6.218 8.235 5.895 1.00 0.00 C ATOM 793 CD GLU A 51 -6.141 8.986 7.225 1.00 0.00 C ATOM 794 OE1 GLU A 51 -6.515 10.179 7.225 1.00 0.00 O ATOM 795 OE2 GLU A 51 -5.711 8.351 8.212 1.00 0.00 O ATOM 0 H GLU A 51 -2.753 8.226 4.246 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.083 6.611 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.221 8.967 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.411 9.550 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.184 8.418 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.149 7.162 6.075 1.00 0.00 H new ATOM 802 N GLY A 52 -6.532 7.108 2.462 1.00 0.00 N ATOM 803 CA GLY A 52 -7.273 7.207 1.217 1.00 0.00 C ATOM 804 C GLY A 52 -6.550 6.470 0.088 1.00 0.00 C ATOM 805 O GLY A 52 -6.660 6.849 -1.077 1.00 0.00 O ATOM 0 H GLY A 52 -6.969 6.521 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.271 6.788 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.401 8.256 0.948 1.00 0.00 H new ATOM 809 N ILE A 53 -5.826 5.429 0.473 1.00 0.00 N ATOM 810 CA ILE A 53 -5.085 4.635 -0.492 1.00 0.00 C ATOM 811 C ILE A 53 -5.026 3.183 -0.014 1.00 0.00 C ATOM 812 O ILE A 53 -4.891 2.924 1.181 1.00 0.00 O ATOM 813 CB ILE A 53 -3.710 5.254 -0.751 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.836 6.729 -1.138 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.936 4.451 -1.799 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.507 7.273 -1.665 1.00 0.00 C ATOM 0 H ILE A 53 -5.737 5.117 1.440 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.595 4.633 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.137 5.212 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.608 6.844 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.153 7.310 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.962 4.912 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.798 3.429 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.496 4.439 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.624 8.323 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.743 7.179 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.205 6.706 -2.545 1.00 0.00 H new ATOM 828 N SER A 54 -5.130 2.273 -0.971 1.00 0.00 N ATOM 829 CA SER A 54 -5.090 0.854 -0.663 1.00 0.00 C ATOM 830 C SER A 54 -4.045 0.158 -1.536 1.00 0.00 C ATOM 831 O SER A 54 -3.054 0.770 -1.932 1.00 0.00 O ATOM 832 CB SER A 54 -6.463 0.208 -0.862 1.00 0.00 C ATOM 833 OG SER A 54 -6.757 -0.745 0.155 1.00 0.00 O ATOM 0 H SER A 54 -5.242 2.491 -1.961 1.00 0.00 H new ATOM 0 HA SER A 54 -4.813 0.740 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.231 0.982 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.496 -0.280 -1.836 1.00 0.00 H new ATOM 0 HG SER A 54 -7.642 -1.133 -0.007 1.00 0.00 H new ATOM 839 N LEU A 55 -4.301 -1.113 -1.811 1.00 0.00 N ATOM 840 CA LEU A 55 -3.394 -1.899 -2.630 1.00 0.00 C ATOM 841 C LEU A 55 -4.000 -2.082 -4.022 1.00 0.00 C ATOM 842 O LEU A 55 -4.909 -2.890 -4.206 1.00 0.00 O ATOM 843 CB LEU A 55 -3.047 -3.216 -1.932 1.00 0.00 C ATOM 844 CG LEU A 55 -2.050 -4.119 -2.662 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.799 -3.339 -3.069 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.709 -5.351 -1.821 1.00 0.00 C ATOM 0 H LEU A 55 -5.124 -1.618 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.447 -1.375 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.644 -2.986 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.969 -3.776 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.520 -4.475 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.107 -4.004 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.080 -2.521 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.317 -2.935 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.999 -5.976 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.267 -5.035 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.617 -5.920 -1.625 1.00 0.00 H new ATOM 858 N ARG A 56 -3.473 -1.318 -4.968 1.00 0.00 N ATOM 859 CA ARG A 56 -3.951 -1.386 -6.338 1.00 0.00 C ATOM 860 C ARG A 56 -2.828 -1.017 -7.310 1.00 0.00 C ATOM 861 O ARG A 56 -1.743 -0.621 -6.889 1.00 0.00 O ATOM 862 CB ARG A 56 -5.135 -0.442 -6.556 1.00 0.00 C ATOM 863 CG ARG A 56 -6.348 -0.886 -5.736 1.00 0.00 C ATOM 864 CD ARG A 56 -7.652 -0.431 -6.396 1.00 0.00 C ATOM 865 NE ARG A 56 -8.747 -1.362 -6.046 1.00 0.00 N ATOM 866 CZ ARG A 56 -10.049 -1.071 -6.171 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.426 0.126 -6.639 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.975 -1.978 -5.829 1.00 0.00 N ATOM 0 H ARG A 56 -2.719 -0.649 -4.812 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.278 -2.409 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.853 0.572 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.396 -0.418 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.346 -1.971 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.282 -0.473 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.903 0.578 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.528 -0.393 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.495 -2.283 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.722 0.816 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.417 0.347 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.689 -2.890 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.966 -1.756 -5.924 1.00 0.00 H new ATOM 882 N ARG A 57 -3.128 -1.161 -8.593 1.00 0.00 N ATOM 883 CA ARG A 57 -2.158 -0.849 -9.628 1.00 0.00 C ATOM 884 C ARG A 57 -1.822 0.644 -9.607 1.00 0.00 C ATOM 885 O ARG A 57 -2.676 1.472 -9.296 1.00 0.00 O ATOM 886 CB ARG A 57 -2.690 -1.225 -11.013 1.00 0.00 C ATOM 887 CG ARG A 57 -2.609 -2.736 -11.239 1.00 0.00 C ATOM 888 CD ARG A 57 -3.926 -3.418 -10.865 1.00 0.00 C ATOM 889 NE ARG A 57 -4.096 -4.659 -11.654 1.00 0.00 N ATOM 890 CZ ARG A 57 -4.533 -4.691 -12.920 1.00 0.00 C ATOM 891 NH1 ARG A 57 -4.849 -3.550 -13.548 1.00 0.00 N ATOM 892 NH2 ARG A 57 -4.656 -5.863 -13.557 1.00 0.00 N ATOM 0 H ARG A 57 -4.030 -1.490 -8.939 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.259 -1.431 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.724 -0.894 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.115 -0.707 -11.781 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.374 -2.939 -12.284 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.797 -3.153 -10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.935 -3.650 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.761 -2.742 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.866 -5.546 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.757 -2.658 -13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.182 -3.574 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.417 -6.731 -13.078 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.989 -5.887 -14.521 1.00 0.00 H new ATOM 906 N PRO A 58 -0.542 0.949 -9.951 1.00 0.00 N ATOM 907 CA PRO A 58 -0.082 2.327 -9.975 1.00 0.00 C ATOM 908 C PRO A 58 -0.624 3.065 -11.200 1.00 0.00 C ATOM 909 O PRO A 58 -0.320 4.239 -11.408 1.00 0.00 O ATOM 910 CB PRO A 58 1.435 2.236 -9.960 1.00 0.00 C ATOM 911 CG PRO A 58 1.772 0.819 -10.397 1.00 0.00 C ATOM 912 CD PRO A 58 0.497 -0.006 -10.326 1.00 0.00 C ATOM 0 HA PRO A 58 -0.442 2.905 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.877 2.969 -10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.829 2.442 -8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.172 0.817 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.539 0.392 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.276 -0.476 -11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.583 -0.806 -9.591 1.00 0.00 H new ATOM 920 N ASN A 59 -1.419 2.347 -11.981 1.00 0.00 N ATOM 921 CA ASN A 59 -2.006 2.919 -13.180 1.00 0.00 C ATOM 922 C ASN A 59 -3.505 3.131 -12.957 1.00 0.00 C ATOM 923 O ASN A 59 -4.278 3.180 -13.913 1.00 0.00 O ATOM 924 CB ASN A 59 -1.834 1.984 -14.378 1.00 0.00 C ATOM 925 CG ASN A 59 -1.876 0.519 -13.940 1.00 0.00 C ATOM 926 OD1 ASN A 59 -0.895 -0.051 -13.491 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.064 -0.058 -14.097 1.00 0.00 N ATOM 0 H ASN A 59 -1.670 1.374 -11.806 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.502 3.863 -13.385 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.622 2.172 -15.107 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.886 2.192 -14.873 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.195 -1.035 -13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.844 0.477 -14.479 1.00 0.00 H new ATOM 934 N CYS A 60 -3.872 3.250 -11.690 1.00 0.00 N ATOM 935 CA CYS A 60 -5.264 3.454 -11.329 1.00 0.00 C ATOM 936 C CYS A 60 -5.317 4.419 -10.143 1.00 0.00 C ATOM 937 O CYS A 60 -6.291 4.433 -9.392 1.00 0.00 O ATOM 938 CB CYS A 60 -5.969 2.132 -11.020 1.00 0.00 C ATOM 939 SG CYS A 60 -7.368 1.884 -12.174 1.00 0.00 S ATOM 0 H CYS A 60 -3.229 3.209 -10.900 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.800 3.887 -12.173 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.264 1.305 -11.107 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.331 2.135 -9.992 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.958 0.758 -11.904 1.00 0.00 H new ATOM 945 N PHE A 61 -4.257 5.203 -10.012 1.00 0.00 N ATOM 946 CA PHE A 61 -4.170 6.169 -8.930 1.00 0.00 C ATOM 947 C PHE A 61 -3.838 7.564 -9.465 1.00 0.00 C ATOM 948 O PHE A 61 -3.682 7.748 -10.671 1.00 0.00 O ATOM 949 CB PHE A 61 -3.039 5.708 -8.008 1.00 0.00 C ATOM 950 CG PHE A 61 -3.442 4.595 -7.038 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.343 4.847 -6.051 1.00 0.00 C ATOM 952 CD2 PHE A 61 -2.900 3.354 -7.163 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.717 3.815 -5.150 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.274 2.322 -6.263 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.175 2.574 -5.276 1.00 0.00 C ATOM 0 H PHE A 61 -3.451 5.189 -10.637 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.124 6.227 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.205 5.360 -8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.680 6.563 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.774 5.832 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.185 3.154 -7.947 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.431 4.015 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.843 1.337 -6.362 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.460 1.788 -4.592 1.00 0.00 H new ATOM 965 N GLY A 62 -3.741 8.509 -8.542 1.00 0.00 N ATOM 966 CA GLY A 62 -3.431 9.881 -8.906 1.00 0.00 C ATOM 967 C GLY A 62 -1.996 10.241 -8.516 1.00 0.00 C ATOM 968 O GLY A 62 -1.380 9.556 -7.701 1.00 0.00 O ATOM 0 H GLY A 62 -3.872 8.352 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.564 10.015 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.127 10.558 -8.411 1.00 0.00 H new ATOM 972 N ILE A 63 -1.505 11.316 -9.115 1.00 0.00 N ATOM 973 CA ILE A 63 -0.154 11.776 -8.840 1.00 0.00 C ATOM 974 C ILE A 63 0.039 11.902 -7.327 1.00 0.00 C ATOM 975 O ILE A 63 0.797 11.140 -6.729 1.00 0.00 O ATOM 976 CB ILE A 63 0.139 13.066 -9.607 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.626 12.763 -11.025 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.126 13.948 -8.839 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.406 13.204 -12.065 1.00 0.00 C ATOM 0 H ILE A 63 -2.019 11.882 -9.790 1.00 0.00 H new ATOM 0 HA ILE A 63 0.576 11.049 -9.195 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.791 13.627 -9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.571 13.275 -11.206 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.817 11.695 -11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.317 14.859 -9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.703 14.207 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.061 13.407 -8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.035 12.977 -13.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.343 12.673 -11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.577 14.277 -11.976 1.00 0.00 H new ATOM 991 N ALA A 64 -0.661 12.869 -6.752 1.00 0.00 N ATOM 992 CA ALA A 64 -0.576 13.105 -5.321 1.00 0.00 C ATOM 993 C ALA A 64 -0.552 11.762 -4.588 1.00 0.00 C ATOM 994 O ALA A 64 0.187 11.592 -3.620 1.00 0.00 O ATOM 995 CB ALA A 64 -1.743 13.990 -4.879 1.00 0.00 C ATOM 0 H ALA A 64 -1.290 13.498 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 64 0.345 13.633 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.679 14.167 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.698 14.942 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.685 13.492 -5.109 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.371 10.843 -5.077 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.454 9.520 -4.481 1.00 0.00 C ATOM 1003 C LYS A 65 -0.130 8.785 -4.697 1.00 0.00 C ATOM 1004 O LYS A 65 0.553 8.433 -3.736 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.672 8.766 -5.018 1.00 0.00 C ATOM 1006 CG LYS A 65 -3.973 9.443 -4.581 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.190 8.620 -5.009 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.402 8.936 -4.130 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.603 9.157 -4.965 1.00 0.00 N ATOM 0 H LYS A 65 -1.983 10.988 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.605 9.595 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.627 8.724 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.655 7.737 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.976 9.568 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.032 10.440 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.428 8.831 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.956 7.557 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.580 8.114 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.201 9.823 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.417 9.370 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.436 9.956 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.802 8.300 -5.520 1.00 0.00 H new ATOM 1023 N LEU A 66 0.192 8.573 -5.964 1.00 0.00 N ATOM 1024 CA LEU A 66 1.422 7.885 -6.319 1.00 0.00 C ATOM 1025 C LEU A 66 2.547 8.350 -5.391 1.00 0.00 C ATOM 1026 O LEU A 66 3.242 7.531 -4.793 1.00 0.00 O ATOM 1027 CB LEU A 66 1.733 8.074 -7.805 1.00 0.00 C ATOM 1028 CG LEU A 66 0.759 7.413 -8.783 1.00 0.00 C ATOM 1029 CD1 LEU A 66 1.016 7.884 -10.215 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.813 5.888 -8.663 1.00 0.00 C ATOM 0 H LEU A 66 -0.377 8.865 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 66 1.312 6.810 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.761 9.143 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.732 7.685 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.253 7.722 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.310 7.399 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.887 8.965 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.034 7.624 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.112 5.442 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.822 5.541 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.544 5.593 -7.649 1.00 0.00 H new ATOM 1042 N ARG A 67 2.692 9.664 -5.302 1.00 0.00 N ATOM 1043 CA ARG A 67 3.720 10.249 -4.458 1.00 0.00 C ATOM 1044 C ARG A 67 3.575 9.747 -3.020 1.00 0.00 C ATOM 1045 O ARG A 67 4.506 9.167 -2.464 1.00 0.00 O ATOM 1046 CB ARG A 67 3.639 11.776 -4.469 1.00 0.00 C ATOM 1047 CG ARG A 67 4.075 12.339 -5.823 1.00 0.00 C ATOM 1048 CD ARG A 67 4.112 13.869 -5.795 1.00 0.00 C ATOM 1049 NE ARG A 67 5.253 14.362 -6.598 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.537 14.101 -6.319 1.00 0.00 C ATOM 1051 NH1 ARG A 67 6.852 13.349 -5.256 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.506 14.591 -7.104 1.00 0.00 N ATOM 0 H ARG A 67 2.114 10.341 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 67 4.688 9.946 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.618 12.091 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.273 12.183 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.061 11.953 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.388 12.002 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.179 14.271 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.201 14.220 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 67 5.049 14.937 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.114 12.975 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.830 13.150 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.266 15.163 -7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.484 14.392 -6.892 1.00 0.00 H new ATOM 1066 N LYS A 68 2.399 9.989 -2.459 1.00 0.00 N ATOM 1067 CA LYS A 68 2.120 9.569 -1.096 1.00 0.00 C ATOM 1068 C LYS A 68 2.728 8.186 -0.859 1.00 0.00 C ATOM 1069 O LYS A 68 3.621 8.030 -0.026 1.00 0.00 O ATOM 1070 CB LYS A 68 0.619 9.638 -0.811 1.00 0.00 C ATOM 1071 CG LYS A 68 0.338 10.442 0.460 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.811 11.429 0.242 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.035 12.292 1.485 1.00 0.00 C ATOM 1074 NZ LYS A 68 -0.532 13.666 1.260 1.00 0.00 N ATOM 0 H LYS A 68 1.629 10.470 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 68 2.588 10.249 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.106 10.096 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.219 8.630 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.089 9.764 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.236 10.984 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.590 12.067 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.724 10.883 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.097 12.322 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.526 11.847 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.692 14.238 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.486 13.633 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.036 14.093 0.457 1.00 0.00 H new ATOM 1088 N ILE A 69 2.221 7.215 -1.605 1.00 0.00 N ATOM 1089 CA ILE A 69 2.704 5.850 -1.486 1.00 0.00 C ATOM 1090 C ILE A 69 4.231 5.859 -1.392 1.00 0.00 C ATOM 1091 O ILE A 69 4.801 5.310 -0.451 1.00 0.00 O ATOM 1092 CB ILE A 69 2.163 4.990 -2.630 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.678 4.681 -2.430 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.995 3.717 -2.799 1.00 0.00 C ATOM 1095 CD1 ILE A 69 0.049 4.152 -3.720 1.00 0.00 C ATOM 0 H ILE A 69 1.481 7.347 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 69 2.332 5.393 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 69 2.251 5.559 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.560 3.944 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.155 5.582 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.590 3.123 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.028 3.984 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.961 3.135 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.007 3.940 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.147 4.901 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.558 3.237 -4.024 1.00 0.00 H new ATOM 1107 N LEU A 70 4.849 6.489 -2.380 1.00 0.00 N ATOM 1108 CA LEU A 70 6.298 6.577 -2.420 1.00 0.00 C ATOM 1109 C LEU A 70 6.804 7.203 -1.119 1.00 0.00 C ATOM 1110 O LEU A 70 7.735 6.691 -0.500 1.00 0.00 O ATOM 1111 CB LEU A 70 6.755 7.320 -3.678 1.00 0.00 C ATOM 1112 CG LEU A 70 6.484 6.615 -5.008 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.714 7.563 -6.187 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.315 5.337 -5.131 1.00 0.00 C ATOM 0 H LEU A 70 4.372 6.943 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 70 6.738 5.582 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.265 8.294 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.826 7.504 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 70 5.435 6.320 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.515 7.037 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.044 8.419 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.747 7.909 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.103 4.856 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.375 5.586 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.060 4.658 -4.318 1.00 0.00 H new ATOM 1126 N GLU A 71 6.166 8.302 -0.742 1.00 0.00 N ATOM 1127 CA GLU A 71 6.540 9.003 0.475 1.00 0.00 C ATOM 1128 C GLU A 71 6.319 8.105 1.694 1.00 0.00 C ATOM 1129 O GLU A 71 6.848 8.374 2.771 1.00 0.00 O ATOM 1130 CB GLU A 71 5.763 10.314 0.612 1.00 0.00 C ATOM 1131 CG GLU A 71 5.849 11.140 -0.673 1.00 0.00 C ATOM 1132 CD GLU A 71 6.005 12.629 -0.358 1.00 0.00 C ATOM 1133 OE1 GLU A 71 7.152 13.029 -0.061 1.00 0.00 O ATOM 1134 OE2 GLU A 71 4.975 13.334 -0.423 1.00 0.00 O ATOM 0 H GLU A 71 5.393 8.724 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 71 7.600 9.251 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.719 10.100 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.161 10.891 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.694 10.801 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.951 10.983 -1.271 1.00 0.00 H new ATOM 1141 N ALA A 72 5.538 7.056 1.483 1.00 0.00 N ATOM 1142 CA ALA A 72 5.241 6.117 2.551 1.00 0.00 C ATOM 1143 C ALA A 72 5.861 4.759 2.216 1.00 0.00 C ATOM 1144 O ALA A 72 5.454 3.735 2.764 1.00 0.00 O ATOM 1145 CB ALA A 72 3.727 6.033 2.751 1.00 0.00 C ATOM 0 H ALA A 72 5.102 6.836 0.588 1.00 0.00 H new ATOM 0 HA ALA A 72 5.675 6.455 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.504 5.328 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.340 7.017 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.256 5.694 1.828 1.00 0.00 H new ATOM 1151 N SER A 73 6.835 4.793 1.319 1.00 0.00 N ATOM 1152 CA SER A 73 7.514 3.578 0.905 1.00 0.00 C ATOM 1153 C SER A 73 8.076 2.850 2.128 1.00 0.00 C ATOM 1154 O SER A 73 7.761 1.684 2.360 1.00 0.00 O ATOM 1155 CB SER A 73 8.635 3.885 -0.091 1.00 0.00 C ATOM 1156 OG SER A 73 9.518 4.893 0.394 1.00 0.00 O ATOM 0 H SER A 73 7.170 5.644 0.867 1.00 0.00 H new ATOM 0 HA SER A 73 6.789 2.934 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.200 2.975 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.201 4.208 -1.037 1.00 0.00 H new ATOM 0 HG SER A 73 9.144 5.777 0.198 1.00 0.00 H new ATOM 1162 N ASN A 74 8.898 3.568 2.878 1.00 0.00 N ATOM 1163 CA ASN A 74 9.507 3.005 4.072 1.00 0.00 C ATOM 1164 C ASN A 74 8.410 2.471 4.994 1.00 0.00 C ATOM 1165 O ASN A 74 8.489 1.338 5.467 1.00 0.00 O ATOM 1166 CB ASN A 74 10.296 4.066 4.841 1.00 0.00 C ATOM 1167 CG ASN A 74 11.393 4.676 3.965 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.498 4.169 3.868 1.00 0.00 O ATOM 1169 ND2 ASN A 74 11.026 5.788 3.335 1.00 0.00 N ATOM 0 H ASN A 74 9.157 4.535 2.683 1.00 0.00 H new ATOM 0 HA ASN A 74 10.183 2.208 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.620 4.850 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.742 3.620 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.686 6.271 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.084 6.158 3.461 1.00 0.00 H new ATOM 1176 N SER A 75 7.412 3.311 5.223 1.00 0.00 N ATOM 1177 CA SER A 75 6.300 2.938 6.081 1.00 0.00 C ATOM 1178 C SER A 75 5.607 1.691 5.527 1.00 0.00 C ATOM 1179 O SER A 75 5.334 0.748 6.267 1.00 0.00 O ATOM 1180 CB SER A 75 5.298 4.086 6.216 1.00 0.00 C ATOM 1181 OG SER A 75 5.621 4.952 7.301 1.00 0.00 O ATOM 0 H SER A 75 7.350 4.250 4.829 1.00 0.00 H new ATOM 0 HA SER A 75 6.693 2.717 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.276 4.659 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.298 3.679 6.363 1.00 0.00 H new ATOM 0 HG SER A 75 4.959 5.673 7.353 1.00 0.00 H new ATOM 1187 N ILE A 76 5.344 1.727 4.229 1.00 0.00 N ATOM 1188 CA ILE A 76 4.689 0.612 3.567 1.00 0.00 C ATOM 1189 C ILE A 76 5.343 -0.697 4.014 1.00 0.00 C ATOM 1190 O ILE A 76 6.499 -0.705 4.434 1.00 0.00 O ATOM 1191 CB ILE A 76 4.690 0.814 2.050 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.554 1.744 1.620 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.640 -0.529 1.319 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.603 2.009 0.114 1.00 0.00 C ATOM 0 H ILE A 76 5.573 2.511 3.618 1.00 0.00 H new ATOM 0 HA ILE A 76 3.640 0.560 3.858 1.00 0.00 H new ATOM 0 HB ILE A 76 5.625 1.299 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.595 1.298 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.627 2.687 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.642 -0.358 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.511 -1.125 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.732 -1.063 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.785 2.673 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.554 2.477 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.506 1.066 -0.425 1.00 0.00 H new ATOM 1206 N GLN A 77 4.575 -1.771 3.909 1.00 0.00 N ATOM 1207 CA GLN A 77 5.065 -3.083 4.297 1.00 0.00 C ATOM 1208 C GLN A 77 4.076 -4.168 3.867 1.00 0.00 C ATOM 1209 O GLN A 77 2.895 -4.106 4.205 1.00 0.00 O ATOM 1210 CB GLN A 77 5.327 -3.146 5.803 1.00 0.00 C ATOM 1211 CG GLN A 77 6.271 -4.300 6.147 1.00 0.00 C ATOM 1212 CD GLN A 77 6.900 -4.102 7.527 1.00 0.00 C ATOM 1213 OE1 GLN A 77 6.866 -3.028 8.105 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.474 -5.195 8.023 1.00 0.00 N ATOM 0 H GLN A 77 3.616 -1.760 3.561 1.00 0.00 H new ATOM 0 HA GLN A 77 6.012 -3.261 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.760 -2.204 6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.384 -3.272 6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.723 -5.242 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.055 -4.370 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.467 -6.063 7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.921 -5.165 8.939 1.00 0.00 H new ATOM 1223 N PHE A 78 4.595 -5.137 3.127 1.00 0.00 N ATOM 1224 CA PHE A 78 3.772 -6.234 2.647 1.00 0.00 C ATOM 1225 C PHE A 78 3.752 -7.386 3.654 1.00 0.00 C ATOM 1226 O PHE A 78 4.664 -8.211 3.676 1.00 0.00 O ATOM 1227 CB PHE A 78 4.400 -6.725 1.340 1.00 0.00 C ATOM 1228 CG PHE A 78 4.063 -5.859 0.124 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.315 -4.523 0.151 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.513 -6.426 -0.983 1.00 0.00 C ATOM 1231 CE1 PHE A 78 4.002 -3.720 -0.978 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.201 -5.623 -2.111 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.452 -4.287 -2.085 1.00 0.00 C ATOM 0 H PHE A 78 5.575 -5.185 2.848 1.00 0.00 H new ATOM 0 HA PHE A 78 2.746 -5.895 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.483 -6.760 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.067 -7.745 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.753 -4.073 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.314 -7.487 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.201 -2.659 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.764 -6.073 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.215 -3.676 -2.943 1.00 0.00 H new ATOM 1243 N VAL A 79 2.702 -7.405 4.462 1.00 0.00 N ATOM 1244 CA VAL A 79 2.552 -8.441 5.468 1.00 0.00 C ATOM 1245 C VAL A 79 1.935 -9.685 4.825 1.00 0.00 C ATOM 1246 O VAL A 79 0.922 -9.594 4.134 1.00 0.00 O ATOM 1247 CB VAL A 79 1.734 -7.911 6.648 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.441 -9.023 7.656 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.442 -6.733 7.320 1.00 0.00 C ATOM 0 H VAL A 79 1.947 -6.719 4.440 1.00 0.00 H new ATOM 0 HA VAL A 79 3.525 -8.729 5.867 1.00 0.00 H new ATOM 0 HB VAL A 79 0.781 -7.552 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.859 -8.619 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.876 -9.817 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.380 -9.427 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.840 -6.375 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.416 -7.055 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.575 -5.928 6.597 1.00 0.00 H new ATOM 1259 N ILE A 80 2.574 -10.819 5.075 1.00 0.00 N ATOM 1260 CA ILE A 80 2.101 -12.080 4.528 1.00 0.00 C ATOM 1261 C ILE A 80 1.550 -12.948 5.662 1.00 0.00 C ATOM 1262 O ILE A 80 2.207 -13.126 6.687 1.00 0.00 O ATOM 1263 CB ILE A 80 3.205 -12.759 3.715 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.959 -11.740 2.858 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.640 -13.907 2.876 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.054 -11.163 1.768 1.00 0.00 C ATOM 0 H ILE A 80 3.414 -10.891 5.648 1.00 0.00 H new ATOM 0 HA ILE A 80 1.282 -11.909 3.830 1.00 0.00 H new ATOM 0 HB ILE A 80 3.925 -13.192 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.333 -10.934 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.827 -12.215 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.445 -14.373 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.184 -14.648 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.888 -13.520 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.615 -10.442 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.702 -11.968 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.200 -10.667 2.229 1.00 0.00 H new ATOM 1278 N LYS A 81 0.351 -13.465 5.440 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.295 -14.310 6.430 1.00 0.00 C ATOM 1280 C LYS A 81 -0.428 -15.729 5.874 1.00 0.00 C ATOM 1281 O LYS A 81 -0.263 -16.704 6.606 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.625 -13.696 6.872 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.460 -12.211 7.203 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.393 -11.990 8.715 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.741 -11.516 9.261 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.104 -12.277 10.477 1.00 0.00 N ATOM 0 H LYS A 81 -0.191 -13.315 4.589 1.00 0.00 H new ATOM 0 HA LYS A 81 0.315 -14.376 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.366 -13.816 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.002 -14.227 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.552 -11.829 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.294 -11.647 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.103 -12.917 9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.624 -11.252 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.693 -10.452 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.513 -11.643 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.022 -11.943 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.170 -13.289 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.376 -12.135 11.206 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.724 -15.800 4.585 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.880 -17.084 3.923 1.00 0.00 C ATOM 1302 C ARG A 82 -0.290 -17.030 2.512 1.00 0.00 C ATOM 1303 O ARG A 82 -0.963 -16.616 1.569 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.355 -17.483 3.835 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.945 -17.708 5.229 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.345 -18.319 5.139 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.282 -19.772 5.413 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.291 -20.624 5.188 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.448 -20.174 4.683 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.144 -21.926 5.467 1.00 0.00 N ATOM 0 H ARG A 82 -0.860 -14.989 3.981 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.348 -17.828 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.916 -16.704 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.455 -18.392 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.293 -18.367 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.992 -16.760 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.009 -17.834 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.763 -18.145 4.148 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.416 -20.149 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.560 -19.183 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.216 -20.823 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.263 -22.269 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.913 -22.574 5.296 1.00 0.00 H new ATOM 1324 N PRO A 83 0.995 -17.464 2.410 1.00 0.00 N ATOM 1325 CA PRO A 83 1.684 -17.469 1.131 1.00 0.00 C ATOM 1326 C PRO A 83 1.189 -18.615 0.246 1.00 0.00 C ATOM 1327 O PRO A 83 1.437 -18.625 -0.959 1.00 0.00 O ATOM 1328 CB PRO A 83 3.159 -17.581 1.479 1.00 0.00 C ATOM 1329 CG PRO A 83 3.212 -18.101 2.906 1.00 0.00 C ATOM 1330 CD PRO A 83 1.823 -17.960 3.505 1.00 0.00 C ATOM 0 HA PRO A 83 1.494 -16.568 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.671 -18.260 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.654 -16.613 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.530 -19.143 2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.939 -17.538 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.454 -18.915 3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.823 -17.267 4.346 1.00 0.00 H new ATOM 1338 N GLU A 84 0.500 -19.553 0.878 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.031 -20.701 0.163 1.00 0.00 C ATOM 1340 C GLU A 84 -1.015 -20.245 -0.916 1.00 0.00 C ATOM 1341 O GLU A 84 -1.280 -20.978 -1.868 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.693 -21.688 1.127 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.018 -21.135 1.655 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.792 -22.207 2.425 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.124 -22.987 3.137 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.034 -22.222 2.283 1.00 0.00 O ATOM 0 H GLU A 84 0.297 -19.542 1.878 1.00 0.00 H new ATOM 0 HA GLU A 84 0.797 -21.218 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.868 -22.636 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.022 -21.892 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.826 -20.282 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.622 -20.772 0.823 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.530 -19.039 -0.731 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.479 -18.477 -1.678 1.00 0.00 C ATOM 1355 C LEU A 85 -1.744 -18.098 -2.965 1.00 0.00 C ATOM 1356 O LEU A 85 -2.236 -18.355 -4.063 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.245 -17.315 -1.042 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.110 -17.666 0.171 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.667 -16.403 0.830 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.218 -18.650 -0.211 1.00 0.00 C ATOM 0 H LEU A 85 -1.309 -18.435 0.060 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.233 -19.217 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.526 -16.553 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.885 -16.868 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.479 -18.163 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.278 -16.680 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.843 -15.771 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.278 -15.857 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.818 -18.882 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.854 -18.203 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.773 -19.566 -0.599 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.579 -17.492 -2.788 1.00 0.00 N ATOM 1373 CA LEU A 86 0.227 -17.075 -3.922 1.00 0.00 C ATOM 1374 C LEU A 86 0.393 -18.252 -4.885 1.00 0.00 C ATOM 1375 O LEU A 86 0.224 -18.098 -6.094 1.00 0.00 O ATOM 1376 CB LEU A 86 1.554 -16.479 -3.446 1.00 0.00 C ATOM 1377 CG LEU A 86 1.458 -15.428 -2.338 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.830 -14.822 -2.037 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.422 -14.357 -2.687 1.00 0.00 C ATOM 0 H LEU A 86 -0.174 -17.280 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.274 -16.280 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.189 -17.292 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.056 -16.030 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 86 1.117 -15.921 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.734 -14.078 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.512 -15.608 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.223 -14.347 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.373 -13.622 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.709 -13.862 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.555 -14.823 -2.812 1.00 0.00 H new