USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 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 10 SER OG : rot 180:sc= 0.0464 USER MOD Set 1.2: A 14 GLN : amide:sc= 0.0253 X(o=0.072,f=-0.072) USER MOD Single : A 16 GLN : amide:sc= -13.7! C(o=-14!,f=-22!) USER MOD Single : A 17 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= -1.92! USER MOD Single : A 30 SER OG : rot 180:sc= 0.0856 USER MOD Single : A 42 MET CE :methyl -121:sc= -0.0591 (180deg=-0.512) USER MOD Single : A 43 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.56) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00364 X(o=-0.0036,f=-0.025) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.66 X(o=-0.66,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.181 (180deg=-0.338) USER MOD Single : A 64 ASN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 69 MET CE :methyl 140:sc= -2.48! (180deg=-6.52!) USER MOD Single : A 72 GLN : amide:sc= 0.579 K(o=0.58,f=-0.36) USER MOD Single : A 75 TYR OH : rot 180:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.943 -9.442 -10.609 1.00 0.00 N ATOM 60 CA GLY A 7 -1.010 -8.026 -10.290 1.00 0.00 C ATOM 61 C GLY A 7 -0.233 -7.716 -9.009 1.00 0.00 C ATOM 62 O GLY A 7 0.210 -8.627 -8.311 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.603 -7.444 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.051 -7.725 -10.170 1.00 0.00 H new ATOM 66 N PRO A 8 -0.088 -6.393 -8.730 1.00 0.00 N ATOM 67 CA PRO A 8 0.627 -5.951 -7.545 1.00 0.00 C ATOM 68 C PRO A 8 -0.217 -6.159 -6.286 1.00 0.00 C ATOM 69 O PRO A 8 0.320 -6.417 -5.210 1.00 0.00 O ATOM 70 CB PRO A 8 0.955 -4.490 -7.806 1.00 0.00 C ATOM 71 CG PRO A 8 0.014 -4.042 -8.913 1.00 0.00 C ATOM 72 CD PRO A 8 -0.600 -5.286 -9.534 1.00 0.00 C ATOM 0 HA PRO A 8 1.537 -6.524 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.813 -3.891 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.996 -4.371 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.764 -3.391 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.555 -3.467 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.689 -5.247 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.312 -5.390 -10.580 1.00 0.00 H new ATOM 80 N ILE A 9 -1.524 -6.038 -6.462 1.00 0.00 N ATOM 81 CA ILE A 9 -2.448 -6.209 -5.353 1.00 0.00 C ATOM 82 C ILE A 9 -2.455 -7.678 -4.923 1.00 0.00 C ATOM 83 O ILE A 9 -1.898 -8.026 -3.883 1.00 0.00 O ATOM 84 CB ILE A 9 -3.832 -5.669 -5.720 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.734 -4.252 -6.289 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.783 -5.743 -4.524 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.082 -3.791 -6.847 1.00 0.00 C ATOM 0 H ILE A 9 -1.966 -5.824 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.122 -5.625 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.250 -6.302 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.405 -3.565 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.981 -4.224 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.760 -5.353 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.886 -6.780 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.382 -5.148 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.985 -2.781 -7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.396 -4.466 -7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.827 -3.797 -6.051 1.00 0.00 H new ATOM 99 N SER A 10 -3.091 -8.499 -5.746 1.00 0.00 N ATOM 100 CA SER A 10 -3.178 -9.922 -5.464 1.00 0.00 C ATOM 101 C SER A 10 -1.855 -10.421 -4.879 1.00 0.00 C ATOM 102 O SER A 10 -1.840 -11.074 -3.837 1.00 0.00 O ATOM 103 CB SER A 10 -3.533 -10.712 -6.724 1.00 0.00 C ATOM 104 OG SER A 10 -3.172 -12.086 -6.612 1.00 0.00 O ATOM 0 H SER A 10 -3.551 -8.206 -6.608 1.00 0.00 H new ATOM 0 HA SER A 10 -3.972 -10.079 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.604 -10.633 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.025 -10.273 -7.583 1.00 0.00 H new ATOM 0 HG SER A 10 -3.416 -12.557 -7.436 1.00 0.00 H new ATOM 110 N ARG A 11 -0.776 -10.094 -5.576 1.00 0.00 N ATOM 111 CA ARG A 11 0.549 -10.501 -5.139 1.00 0.00 C ATOM 112 C ARG A 11 0.788 -10.065 -3.692 1.00 0.00 C ATOM 113 O ARG A 11 1.230 -10.861 -2.865 1.00 0.00 O ATOM 114 CB ARG A 11 1.633 -9.897 -6.033 1.00 0.00 C ATOM 115 CG ARG A 11 2.990 -10.554 -5.770 1.00 0.00 C ATOM 116 CD ARG A 11 3.924 -10.381 -6.969 1.00 0.00 C ATOM 117 NE ARG A 11 5.327 -10.608 -6.555 1.00 0.00 N ATOM 118 CZ ARG A 11 5.875 -11.820 -6.389 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.142 -12.921 -6.603 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.156 -11.930 -6.011 1.00 0.00 N ATOM 0 H ARG A 11 -0.792 -9.552 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 11 0.602 -11.588 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.359 -10.026 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.703 -8.824 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.446 -10.114 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.850 -11.615 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.651 -11.082 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.816 -9.378 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 11 5.914 -9.791 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.167 -12.837 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.559 -13.843 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.714 -11.091 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.573 -12.852 -5.885 1.00 0.00 H new ATOM 134 N LEU A 12 0.485 -8.802 -3.431 1.00 0.00 N ATOM 135 CA LEU A 12 0.661 -8.251 -2.098 1.00 0.00 C ATOM 136 C LEU A 12 -0.244 -8.999 -1.117 1.00 0.00 C ATOM 137 O LEU A 12 0.182 -9.353 -0.019 1.00 0.00 O ATOM 138 CB LEU A 12 0.436 -6.737 -2.111 1.00 0.00 C ATOM 139 CG LEU A 12 1.113 -5.950 -0.987 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.344 -4.663 -0.679 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.297 -6.819 0.259 1.00 0.00 C ATOM 0 H LEU A 12 0.119 -8.145 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 12 1.687 -8.395 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.788 -6.345 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.637 -6.548 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 12 2.107 -5.659 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.846 -4.122 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.309 -4.038 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.671 -4.911 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.780 -6.235 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.324 -7.162 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.918 -7.680 0.013 1.00 0.00 H new ATOM 153 N ALA A 13 -1.478 -9.217 -1.549 1.00 0.00 N ATOM 154 CA ALA A 13 -2.447 -9.917 -0.723 1.00 0.00 C ATOM 155 C ALA A 13 -1.965 -11.348 -0.480 1.00 0.00 C ATOM 156 O ALA A 13 -2.060 -11.858 0.636 1.00 0.00 O ATOM 157 CB ALA A 13 -3.820 -9.871 -1.396 1.00 0.00 C ATOM 0 H ALA A 13 -1.829 -8.921 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.544 -9.432 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.547 -10.396 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.130 -8.833 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.763 -10.351 -2.373 1.00 0.00 H new ATOM 163 N GLN A 14 -1.457 -11.956 -1.542 1.00 0.00 N ATOM 164 CA GLN A 14 -0.960 -13.319 -1.457 1.00 0.00 C ATOM 165 C GLN A 14 0.170 -13.409 -0.430 1.00 0.00 C ATOM 166 O GLN A 14 0.346 -14.441 0.216 1.00 0.00 O ATOM 167 CB GLN A 14 -0.496 -13.819 -2.827 1.00 0.00 C ATOM 168 CG GLN A 14 -1.691 -14.144 -3.725 1.00 0.00 C ATOM 169 CD GLN A 14 -1.324 -15.207 -4.763 1.00 0.00 C ATOM 170 OE1 GLN A 14 -0.940 -16.319 -4.441 1.00 0.00 O ATOM 171 NE2 GLN A 14 -1.463 -14.804 -6.022 1.00 0.00 N ATOM 0 H GLN A 14 -1.379 -11.530 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.776 -13.963 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.126 -13.061 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.123 -14.708 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.523 -14.498 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.028 -13.239 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.790 -13.859 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.243 -15.440 -6.788 1.00 0.00 H new ATOM 180 N ILE A 15 0.907 -12.314 -0.310 1.00 0.00 N ATOM 181 CA ILE A 15 2.014 -12.256 0.629 1.00 0.00 C ATOM 182 C ILE A 15 1.468 -12.078 2.047 1.00 0.00 C ATOM 183 O ILE A 15 1.981 -12.673 2.993 1.00 0.00 O ATOM 184 CB ILE A 15 3.012 -11.173 0.214 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.564 -11.443 -1.188 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.128 -11.029 1.251 1.00 0.00 C ATOM 187 CD1 ILE A 15 3.993 -10.142 -1.868 1.00 0.00 C ATOM 0 H ILE A 15 0.759 -11.460 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 15 2.571 -13.193 0.618 1.00 0.00 H new ATOM 0 HB ILE A 15 2.484 -10.220 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.415 -12.121 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.805 -11.940 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.824 -10.253 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.697 -10.756 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.660 -11.976 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.381 -10.362 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.135 -9.476 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.769 -9.660 -1.274 1.00 0.00 H new ATOM 199 N GLN A 16 0.434 -11.256 2.149 1.00 0.00 N ATOM 200 CA GLN A 16 -0.188 -10.992 3.435 1.00 0.00 C ATOM 201 C GLN A 16 -0.826 -12.268 3.988 1.00 0.00 C ATOM 202 O GLN A 16 -0.800 -12.507 5.194 1.00 0.00 O ATOM 203 CB GLN A 16 -1.219 -9.867 3.325 1.00 0.00 C ATOM 204 CG GLN A 16 -0.536 -8.519 3.085 1.00 0.00 C ATOM 205 CD GLN A 16 -0.328 -7.768 4.402 1.00 0.00 C ATOM 206 OE1 GLN A 16 -1.009 -6.803 4.711 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.648 -8.262 5.158 1.00 0.00 N ATOM 0 H GLN A 16 0.011 -10.764 1.362 1.00 0.00 H new ATOM 0 HA GLN A 16 0.585 -10.665 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.909 -10.080 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.811 -9.821 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.425 -8.676 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.142 -7.915 2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.179 -9.072 4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.865 -7.831 6.056 1.00 0.00 H new ATOM 216 N GLN A 17 -1.385 -13.054 3.080 1.00 0.00 N ATOM 217 CA GLN A 17 -2.028 -14.300 3.461 1.00 0.00 C ATOM 218 C GLN A 17 -0.983 -15.402 3.647 1.00 0.00 C ATOM 219 O GLN A 17 -1.084 -16.209 4.569 1.00 0.00 O ATOM 220 CB GLN A 17 -3.082 -14.711 2.431 1.00 0.00 C ATOM 221 CG GLN A 17 -2.466 -15.583 1.335 1.00 0.00 C ATOM 222 CD GLN A 17 -3.522 -15.999 0.308 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.692 -17.165 -0.007 1.00 0.00 O ATOM 224 NE2 GLN A 17 -4.218 -14.983 -0.194 1.00 0.00 N ATOM 0 H GLN A 17 -1.406 -12.852 2.080 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.538 -14.147 4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.886 -15.256 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.527 -13.821 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.665 -15.036 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.017 -16.471 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.024 -14.030 0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.946 -15.157 -0.887 1.00 0.00 H new ATOM 233 N ALA A 18 -0.003 -15.400 2.755 1.00 0.00 N ATOM 234 CA ALA A 18 1.059 -16.390 2.808 1.00 0.00 C ATOM 235 C ALA A 18 1.948 -16.113 4.023 1.00 0.00 C ATOM 236 O ALA A 18 2.574 -17.026 4.559 1.00 0.00 O ATOM 237 CB ALA A 18 1.844 -16.369 1.495 1.00 0.00 C ATOM 0 H ALA A 18 0.078 -14.728 1.992 1.00 0.00 H new ATOM 0 HA ALA A 18 0.644 -17.391 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.641 -17.112 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.174 -16.600 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.277 -15.380 1.346 1.00 0.00 H new ATOM 243 N ARG A 19 1.974 -14.849 4.420 1.00 0.00 N ATOM 244 CA ARG A 19 2.776 -14.441 5.561 1.00 0.00 C ATOM 245 C ARG A 19 2.051 -14.776 6.867 1.00 0.00 C ATOM 246 O ARG A 19 2.671 -14.838 7.927 1.00 0.00 O ATOM 247 CB ARG A 19 3.068 -12.939 5.520 1.00 0.00 C ATOM 248 CG ARG A 19 4.266 -12.639 4.617 1.00 0.00 C ATOM 249 CD ARG A 19 4.576 -11.141 4.597 1.00 0.00 C ATOM 250 NE ARG A 19 5.860 -10.899 3.901 1.00 0.00 N ATOM 251 CZ ARG A 19 6.614 -9.805 4.075 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.217 -8.846 4.923 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.764 -9.670 3.402 1.00 0.00 N ATOM 0 H ARG A 19 1.453 -14.095 3.972 1.00 0.00 H new ATOM 0 HA ARG A 19 3.719 -14.985 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.191 -12.404 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.268 -12.576 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.138 -13.190 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.058 -12.985 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.773 -10.602 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.628 -10.758 5.616 1.00 0.00 H new ATOM 0 HE ARG A 19 6.191 -11.609 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.341 -8.949 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.791 -8.013 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.066 -10.400 2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.338 -8.837 3.535 1.00 0.00 H new ATOM 267 N LYS A 20 0.748 -14.983 6.746 1.00 0.00 N ATOM 268 CA LYS A 20 -0.068 -15.311 7.903 1.00 0.00 C ATOM 269 C LYS A 20 -0.141 -14.096 8.830 1.00 0.00 C ATOM 270 O LYS A 20 -0.390 -14.238 10.027 1.00 0.00 O ATOM 271 CB LYS A 20 0.455 -16.575 8.587 1.00 0.00 C ATOM 272 CG LYS A 20 -0.013 -17.831 7.849 1.00 0.00 C ATOM 273 CD LYS A 20 -0.841 -18.731 8.768 1.00 0.00 C ATOM 274 CE LYS A 20 -1.110 -20.087 8.112 1.00 0.00 C ATOM 275 NZ LYS A 20 -1.049 -21.171 9.117 1.00 0.00 N ATOM 0 H LYS A 20 0.237 -14.930 5.865 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.088 -15.542 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.544 -16.552 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.107 -16.605 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.608 -17.547 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.851 -18.382 7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.314 -18.877 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.787 -18.243 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.091 -20.079 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.376 -20.270 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.234 -22.084 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.105 -21.188 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.766 -21.004 9.852 1.00 0.00 H new ATOM 289 N GLU A 21 0.080 -12.929 8.243 1.00 0.00 N ATOM 290 CA GLU A 21 0.043 -11.690 9.001 1.00 0.00 C ATOM 291 C GLU A 21 -1.372 -11.108 8.997 1.00 0.00 C ATOM 292 O GLU A 21 -2.107 -11.247 9.974 1.00 0.00 O ATOM 293 CB GLU A 21 1.052 -10.680 8.453 1.00 0.00 C ATOM 294 CG GLU A 21 2.486 -11.184 8.634 1.00 0.00 C ATOM 295 CD GLU A 21 2.931 -11.058 10.092 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.418 -11.848 10.913 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.774 -10.173 10.353 1.00 0.00 O ATOM 0 H GLU A 21 0.285 -12.815 7.250 1.00 0.00 H new ATOM 0 HA GLU A 21 0.323 -11.910 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.856 -10.502 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.931 -9.725 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.552 -12.225 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.159 -10.614 7.994 1.00 0.00 H new ATOM 304 N LYS A 22 -1.712 -10.469 7.887 1.00 0.00 N ATOM 305 CA LYS A 22 -3.026 -9.866 7.743 1.00 0.00 C ATOM 306 C LYS A 22 -3.086 -9.095 6.423 1.00 0.00 C ATOM 307 O LYS A 22 -2.189 -8.313 6.115 1.00 0.00 O ATOM 308 CB LYS A 22 -3.361 -9.013 8.969 1.00 0.00 C ATOM 309 CG LYS A 22 -4.750 -9.355 9.512 1.00 0.00 C ATOM 310 CD LYS A 22 -4.656 -10.352 10.669 1.00 0.00 C ATOM 311 CE LYS A 22 -5.747 -10.090 11.708 1.00 0.00 C ATOM 312 NZ LYS A 22 -5.169 -9.477 12.925 1.00 0.00 N ATOM 0 H LYS A 22 -1.100 -10.356 7.079 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.796 -10.636 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.613 -9.176 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.320 -7.957 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.246 -8.445 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.363 -9.775 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.750 -11.368 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.675 -10.277 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.507 -9.431 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.244 -11.025 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.924 -9.306 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.461 -10.119 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.716 -8.574 12.677 1.00 0.00 H new ATOM 326 N GLU A 23 -4.153 -9.344 5.678 1.00 0.00 N ATOM 327 CA GLU A 23 -4.343 -8.684 4.398 1.00 0.00 C ATOM 328 C GLU A 23 -3.894 -7.223 4.482 1.00 0.00 C ATOM 329 O GLU A 23 -3.826 -6.653 5.570 1.00 0.00 O ATOM 330 CB GLU A 23 -5.799 -8.784 3.939 1.00 0.00 C ATOM 331 CG GLU A 23 -6.100 -10.171 3.368 1.00 0.00 C ATOM 332 CD GLU A 23 -7.388 -10.742 3.964 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.307 -11.262 5.098 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.425 -10.645 3.273 1.00 0.00 O ATOM 0 H GLU A 23 -4.895 -9.994 5.937 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.727 -9.191 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.464 -8.581 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.999 -8.024 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.193 -10.109 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.268 -10.843 3.579 1.00 0.00 H new ATOM 341 N PRO A 24 -3.590 -6.646 3.289 1.00 0.00 N ATOM 342 CA PRO A 24 -3.149 -5.263 3.218 1.00 0.00 C ATOM 343 C PRO A 24 -4.322 -4.302 3.424 1.00 0.00 C ATOM 344 O PRO A 24 -5.449 -4.600 3.033 1.00 0.00 O ATOM 345 CB PRO A 24 -2.503 -5.126 1.849 1.00 0.00 C ATOM 346 CG PRO A 24 -3.016 -6.297 1.027 1.00 0.00 C ATOM 347 CD PRO A 24 -3.658 -7.291 1.981 1.00 0.00 C ATOM 0 HA PRO A 24 -2.441 -5.007 4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.769 -4.176 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.416 -5.149 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.740 -5.956 0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.198 -6.766 0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.689 -7.503 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.125 -8.242 1.980 1.00 0.00 H new ATOM 355 N ASP A 25 -4.016 -3.169 4.037 1.00 0.00 N ATOM 356 CA ASP A 25 -5.030 -2.162 4.300 1.00 0.00 C ATOM 357 C ASP A 25 -4.788 -0.952 3.396 1.00 0.00 C ATOM 358 O ASP A 25 -3.867 -0.171 3.631 1.00 0.00 O ATOM 359 CB ASP A 25 -4.971 -1.686 5.753 1.00 0.00 C ATOM 360 CG ASP A 25 -6.329 -1.392 6.393 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.344 -1.612 5.697 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.322 -0.954 7.564 1.00 0.00 O ATOM 0 H ASP A 25 -3.080 -2.925 4.360 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.005 -2.608 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.463 -2.445 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.361 -0.784 5.799 1.00 0.00 H new ATOM 367 N TYR A 26 -5.631 -0.834 2.381 1.00 0.00 N ATOM 368 CA TYR A 26 -5.520 0.268 1.440 1.00 0.00 C ATOM 369 C TYR A 26 -6.311 1.485 1.926 1.00 0.00 C ATOM 370 O TYR A 26 -7.446 1.351 2.381 1.00 0.00 O ATOM 371 CB TYR A 26 -6.131 -0.232 0.130 1.00 0.00 C ATOM 372 CG TYR A 26 -5.221 -1.172 -0.662 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.275 -0.653 -1.523 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.345 -2.539 -0.516 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.418 -1.538 -2.269 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.488 -3.423 -1.262 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.566 -2.879 -2.102 1.00 0.00 C ATOM 378 OH TYR A 26 -2.757 -3.715 -2.806 1.00 0.00 O ATOM 0 H TYR A 26 -6.394 -1.483 2.189 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.479 0.572 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.065 -0.748 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.380 0.626 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.178 0.417 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.085 -2.945 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.674 -1.145 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.575 -4.494 -1.157 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.612 -4.538 -2.294 1.00 0.00 H new ATOM 388 N ILE A 27 -5.679 2.644 1.812 1.00 0.00 N ATOM 389 CA ILE A 27 -6.310 3.884 2.234 1.00 0.00 C ATOM 390 C ILE A 27 -6.096 4.951 1.159 1.00 0.00 C ATOM 391 O ILE A 27 -4.988 5.113 0.651 1.00 0.00 O ATOM 392 CB ILE A 27 -5.806 4.297 3.619 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.679 3.082 4.541 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.695 5.385 4.223 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.232 2.589 4.602 1.00 0.00 C ATOM 0 H ILE A 27 -4.738 2.751 1.434 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.386 3.748 2.339 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.808 4.722 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.020 3.344 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.325 2.280 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.315 5.661 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.690 6.261 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.714 5.010 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.170 1.725 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.902 2.305 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.592 3.385 4.983 1.00 0.00 H new ATOM 407 N LEU A 28 -7.175 5.652 0.844 1.00 0.00 N ATOM 408 CA LEU A 28 -7.120 6.699 -0.162 1.00 0.00 C ATOM 409 C LEU A 28 -6.621 7.994 0.482 1.00 0.00 C ATOM 410 O LEU A 28 -7.301 8.573 1.328 1.00 0.00 O ATOM 411 CB LEU A 28 -8.474 6.843 -0.861 1.00 0.00 C ATOM 412 CG LEU A 28 -8.520 7.818 -2.039 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.010 7.155 -3.320 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.925 8.399 -2.215 1.00 0.00 C ATOM 0 H LEU A 28 -8.093 5.515 1.268 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.409 6.437 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.784 5.860 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.210 7.161 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.852 8.651 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.053 7.870 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.980 6.830 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.633 6.292 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.930 9.089 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.632 7.591 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.215 8.932 -1.309 1.00 0.00 H new ATOM 426 N LEU A 29 -5.436 8.409 0.058 1.00 0.00 N ATOM 427 CA LEU A 29 -4.837 9.625 0.584 1.00 0.00 C ATOM 428 C LEU A 29 -5.640 10.834 0.100 1.00 0.00 C ATOM 429 O LEU A 29 -6.211 11.567 0.905 1.00 0.00 O ATOM 430 CB LEU A 29 -3.352 9.689 0.224 1.00 0.00 C ATOM 431 CG LEU A 29 -2.434 8.735 0.992 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.963 9.094 0.772 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.800 8.699 2.477 1.00 0.00 C ATOM 0 H LEU A 29 -4.875 7.926 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.878 9.630 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.248 9.483 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.002 10.708 0.388 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.582 7.729 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.332 8.401 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.727 9.027 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.781 10.111 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.133 8.014 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.699 9.698 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.830 8.359 2.590 1.00 0.00 H new ATOM 445 N SER A 30 -5.657 11.005 -1.214 1.00 0.00 N ATOM 446 CA SER A 30 -6.380 12.113 -1.815 1.00 0.00 C ATOM 447 C SER A 30 -6.456 11.927 -3.332 1.00 0.00 C ATOM 448 O SER A 30 -5.968 10.931 -3.864 1.00 0.00 O ATOM 449 CB SER A 30 -5.719 13.450 -1.477 1.00 0.00 C ATOM 450 OG SER A 30 -6.552 14.557 -1.810 1.00 0.00 O ATOM 0 H SER A 30 -5.182 10.395 -1.879 1.00 0.00 H new ATOM 0 HA SER A 30 -7.390 12.124 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.485 13.480 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.774 13.533 -2.014 1.00 0.00 H new ATOM 0 HG SER A 30 -6.095 15.392 -1.577 1.00 0.00 H new ATOM 456 N GLU A 31 -7.071 12.902 -3.985 1.00 0.00 N ATOM 457 CA GLU A 31 -7.217 12.858 -5.430 1.00 0.00 C ATOM 458 C GLU A 31 -7.153 14.271 -6.013 1.00 0.00 C ATOM 459 O GLU A 31 -7.915 15.148 -5.610 1.00 0.00 O ATOM 460 CB GLU A 31 -8.518 12.159 -5.829 1.00 0.00 C ATOM 461 CG GLU A 31 -9.734 12.909 -5.281 1.00 0.00 C ATOM 462 CD GLU A 31 -9.743 12.894 -3.751 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.367 11.842 -3.192 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.125 13.936 -3.176 1.00 0.00 O ATOM 0 H GLU A 31 -7.474 13.727 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.391 12.278 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.584 12.097 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.516 11.137 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.722 13.939 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.649 12.451 -5.658 1.00 0.00 H new ATOM 605 N GLU A 39 -4.755 12.716 -11.000 1.00 0.00 N ATOM 606 CA GLU A 39 -3.889 11.874 -10.193 1.00 0.00 C ATOM 607 C GLU A 39 -4.589 11.486 -8.890 1.00 0.00 C ATOM 608 O GLU A 39 -5.308 12.293 -8.303 1.00 0.00 O ATOM 609 CB GLU A 39 -2.555 12.570 -9.912 1.00 0.00 C ATOM 610 CG GLU A 39 -1.577 11.620 -9.218 1.00 0.00 C ATOM 611 CD GLU A 39 -0.201 12.271 -9.060 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.597 12.151 -10.015 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.023 12.872 -7.987 1.00 0.00 O ATOM 0 HA GLU A 39 -3.676 10.963 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.122 12.925 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.723 13.446 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.967 11.342 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.484 10.701 -9.797 1.00 0.00 H new ATOM 620 N PHE A 40 -4.355 10.249 -8.475 1.00 0.00 N ATOM 621 CA PHE A 40 -4.955 9.744 -7.252 1.00 0.00 C ATOM 622 C PHE A 40 -3.898 9.119 -6.340 1.00 0.00 C ATOM 623 O PHE A 40 -3.170 8.218 -6.754 1.00 0.00 O ATOM 624 CB PHE A 40 -5.962 8.666 -7.659 1.00 0.00 C ATOM 625 CG PHE A 40 -7.281 9.220 -8.201 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.395 9.542 -9.517 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.341 9.390 -7.366 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.619 10.055 -10.020 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.566 9.904 -7.868 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.679 10.226 -9.185 1.00 0.00 C ATOM 0 H PHE A 40 -3.758 9.582 -8.964 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.430 10.560 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.509 8.028 -8.417 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.172 8.035 -6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.553 9.407 -10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.251 9.134 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.709 10.310 -11.066 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.407 10.039 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.610 10.617 -9.567 1.00 0.00 H new ATOM 640 N VAL A 41 -3.847 9.621 -5.115 1.00 0.00 N ATOM 641 CA VAL A 41 -2.890 9.123 -4.141 1.00 0.00 C ATOM 642 C VAL A 41 -3.510 7.951 -3.377 1.00 0.00 C ATOM 643 O VAL A 41 -4.636 8.049 -2.891 1.00 0.00 O ATOM 644 CB VAL A 41 -2.436 10.261 -3.225 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.341 9.789 -2.266 1.00 0.00 C ATOM 646 CG2 VAL A 41 -1.968 11.468 -4.040 1.00 0.00 C ATOM 0 H VAL A 41 -4.453 10.368 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.996 8.749 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.293 10.572 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.036 10.617 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.723 8.976 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.483 9.438 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.651 12.262 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.131 11.176 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.788 11.827 -4.662 1.00 0.00 H new ATOM 656 N MET A 42 -2.748 6.871 -3.296 1.00 0.00 N ATOM 657 CA MET A 42 -3.208 5.681 -2.599 1.00 0.00 C ATOM 658 C MET A 42 -2.187 5.228 -1.554 1.00 0.00 C ATOM 659 O MET A 42 -0.986 5.431 -1.726 1.00 0.00 O ATOM 660 CB MET A 42 -3.440 4.555 -3.609 1.00 0.00 C ATOM 661 CG MET A 42 -4.891 4.071 -3.568 1.00 0.00 C ATOM 662 SD MET A 42 -5.171 3.109 -2.091 1.00 0.00 S ATOM 663 CE MET A 42 -6.941 2.902 -2.187 1.00 0.00 C ATOM 0 H MET A 42 -1.815 6.794 -3.701 1.00 0.00 H new ATOM 0 HA MET A 42 -4.141 5.920 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.198 4.906 -4.612 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.769 3.723 -3.392 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.569 4.924 -3.590 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.108 3.469 -4.451 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.405 3.323 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.320 3.416 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.180 1.841 -2.254 1.00 0.00 H new ATOM 673 N GLN A 43 -2.702 4.622 -0.494 1.00 0.00 N ATOM 674 CA GLN A 43 -1.849 4.139 0.579 1.00 0.00 C ATOM 675 C GLN A 43 -2.131 2.660 0.854 1.00 0.00 C ATOM 676 O GLN A 43 -3.239 2.181 0.620 1.00 0.00 O ATOM 677 CB GLN A 43 -2.033 4.977 1.845 1.00 0.00 C ATOM 678 CG GLN A 43 -0.781 4.925 2.724 1.00 0.00 C ATOM 679 CD GLN A 43 -0.909 5.873 3.917 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.094 6.755 4.133 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.975 5.643 4.679 1.00 0.00 N ATOM 0 H GLN A 43 -3.699 4.455 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.810 4.239 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.248 6.010 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.892 4.610 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.624 3.907 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.094 5.195 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.618 4.888 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.149 6.222 5.501 1.00 0.00 H new ATOM 690 N VAL A 44 -1.107 1.978 1.347 1.00 0.00 N ATOM 691 CA VAL A 44 -1.230 0.564 1.657 1.00 0.00 C ATOM 692 C VAL A 44 -0.503 0.269 2.970 1.00 0.00 C ATOM 693 O VAL A 44 0.652 0.655 3.145 1.00 0.00 O ATOM 694 CB VAL A 44 -0.715 -0.275 0.486 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.787 -0.066 0.281 1.00 0.00 C ATOM 696 CG2 VAL A 44 -1.039 -1.757 0.689 1.00 0.00 C ATOM 0 H VAL A 44 -0.189 2.379 1.539 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.276 0.293 1.798 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.227 0.060 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.128 -0.674 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.983 0.985 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.322 -0.361 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.662 -2.331 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.567 -2.110 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.119 -1.887 0.763 1.00 0.00 H new ATOM 706 N LYS A 45 -1.208 -0.414 3.860 1.00 0.00 N ATOM 707 CA LYS A 45 -0.644 -0.765 5.152 1.00 0.00 C ATOM 708 C LYS A 45 -0.537 -2.288 5.260 1.00 0.00 C ATOM 709 O LYS A 45 -1.546 -2.990 5.212 1.00 0.00 O ATOM 710 CB LYS A 45 -1.452 -0.124 6.282 1.00 0.00 C ATOM 711 CG LYS A 45 -0.549 0.246 7.460 1.00 0.00 C ATOM 712 CD LYS A 45 -1.372 0.767 8.640 1.00 0.00 C ATOM 713 CE LYS A 45 -0.770 2.056 9.203 1.00 0.00 C ATOM 714 NZ LYS A 45 -0.385 1.872 10.620 1.00 0.00 N ATOM 0 H LYS A 45 -2.165 -0.734 3.712 1.00 0.00 H new ATOM 0 HA LYS A 45 0.366 -0.366 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.957 0.768 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.227 -0.814 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.026 -0.627 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.168 1.006 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.398 0.950 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.413 0.009 9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.103 2.343 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.492 2.869 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.022 2.756 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.226 1.620 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.320 1.111 10.692 1.00 0.00 H new ATOM 728 N VAL A 46 0.695 -2.754 5.404 1.00 0.00 N ATOM 729 CA VAL A 46 0.948 -4.180 5.519 1.00 0.00 C ATOM 730 C VAL A 46 1.771 -4.448 6.780 1.00 0.00 C ATOM 731 O VAL A 46 2.948 -4.096 6.844 1.00 0.00 O ATOM 732 CB VAL A 46 1.620 -4.697 4.245 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.275 -6.059 4.485 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.622 -4.765 3.087 1.00 0.00 C ATOM 0 H VAL A 46 1.529 -2.169 5.444 1.00 0.00 H new ATOM 0 HA VAL A 46 0.011 -4.727 5.621 1.00 0.00 H new ATOM 0 HB VAL A 46 2.404 -3.992 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.745 -6.404 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.030 -5.967 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.517 -6.778 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.125 -5.135 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.194 -5.438 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.223 -3.770 2.892 1.00 0.00 H new ATOM 744 N GLY A 47 1.119 -5.069 7.753 1.00 0.00 N ATOM 745 CA GLY A 47 1.776 -5.388 9.009 1.00 0.00 C ATOM 746 C GLY A 47 2.312 -4.124 9.684 1.00 0.00 C ATOM 747 O GLY A 47 1.538 -3.302 10.173 1.00 0.00 O ATOM 0 H GLY A 47 0.143 -5.359 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.073 -5.889 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.596 -6.084 8.828 1.00 0.00 H new ATOM 751 N ASN A 48 3.632 -4.008 9.689 1.00 0.00 N ATOM 752 CA ASN A 48 4.280 -2.858 10.297 1.00 0.00 C ATOM 753 C ASN A 48 4.943 -2.016 9.205 1.00 0.00 C ATOM 754 O ASN A 48 5.899 -1.289 9.471 1.00 0.00 O ATOM 755 CB ASN A 48 5.365 -3.294 11.282 1.00 0.00 C ATOM 756 CG ASN A 48 5.208 -2.577 12.625 1.00 0.00 C ATOM 757 OD1 ASN A 48 5.061 -1.368 12.698 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.246 -3.387 13.679 1.00 0.00 N ATOM 0 H ASN A 48 4.270 -4.691 9.282 1.00 0.00 H new ATOM 0 HA ASN A 48 3.520 -2.285 10.829 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.312 -4.372 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.348 -3.079 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.149 -3.005 14.620 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.372 -4.391 13.547 1.00 0.00 H new ATOM 765 N GLU A 49 4.410 -2.143 7.999 1.00 0.00 N ATOM 766 CA GLU A 49 4.938 -1.403 6.865 1.00 0.00 C ATOM 767 C GLU A 49 3.810 -0.666 6.140 1.00 0.00 C ATOM 768 O GLU A 49 2.646 -1.051 6.242 1.00 0.00 O ATOM 769 CB GLU A 49 5.692 -2.329 5.909 1.00 0.00 C ATOM 770 CG GLU A 49 7.147 -2.506 6.351 1.00 0.00 C ATOM 771 CD GLU A 49 7.276 -3.640 7.369 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.724 -4.725 7.084 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.924 -3.397 8.410 1.00 0.00 O ATOM 0 H GLU A 49 3.618 -2.747 7.782 1.00 0.00 H new ATOM 0 HA GLU A 49 5.648 -0.664 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.198 -3.300 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.662 -1.918 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.771 -2.719 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.514 -1.577 6.788 1.00 0.00 H new ATOM 780 N VAL A 50 4.195 0.379 5.422 1.00 0.00 N ATOM 781 CA VAL A 50 3.230 1.173 4.680 1.00 0.00 C ATOM 782 C VAL A 50 3.844 1.593 3.343 1.00 0.00 C ATOM 783 O VAL A 50 5.061 1.735 3.231 1.00 0.00 O ATOM 784 CB VAL A 50 2.768 2.361 5.526 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.492 3.643 5.111 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.250 2.536 5.442 1.00 0.00 C ATOM 0 H VAL A 50 5.161 0.694 5.338 1.00 0.00 H new ATOM 0 HA VAL A 50 2.340 0.584 4.459 1.00 0.00 H new ATOM 0 HB VAL A 50 3.024 2.153 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.146 4.472 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.566 3.514 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.281 3.857 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.948 3.387 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.961 2.711 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.759 1.634 5.808 1.00 0.00 H new ATOM 796 N ALA A 51 2.973 1.781 2.362 1.00 0.00 N ATOM 797 CA ALA A 51 3.415 2.183 1.037 1.00 0.00 C ATOM 798 C ALA A 51 2.360 3.095 0.407 1.00 0.00 C ATOM 799 O ALA A 51 1.254 3.224 0.930 1.00 0.00 O ATOM 800 CB ALA A 51 3.688 0.938 0.190 1.00 0.00 C ATOM 0 H ALA A 51 1.964 1.663 2.458 1.00 0.00 H new ATOM 0 HA ALA A 51 4.346 2.747 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.019 1.239 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.464 0.338 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.775 0.349 0.105 1.00 0.00 H new ATOM 806 N THR A 52 2.739 3.705 -0.706 1.00 0.00 N ATOM 807 CA THR A 52 1.839 4.602 -1.412 1.00 0.00 C ATOM 808 C THR A 52 1.917 4.356 -2.920 1.00 0.00 C ATOM 809 O THR A 52 2.932 3.876 -3.423 1.00 0.00 O ATOM 810 CB THR A 52 2.190 6.036 -1.011 1.00 0.00 C ATOM 811 OG1 THR A 52 3.610 6.028 -0.898 1.00 0.00 O ATOM 812 CG2 THR A 52 1.707 6.384 0.399 1.00 0.00 C ATOM 0 H THR A 52 3.657 3.596 -1.137 1.00 0.00 H new ATOM 0 HA THR A 52 0.800 4.418 -1.137 1.00 0.00 H new ATOM 0 HB THR A 52 1.752 6.730 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.923 6.921 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.981 7.412 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.623 6.277 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.172 5.711 1.119 1.00 0.00 H new ATOM 820 N GLY A 53 0.832 4.698 -3.600 1.00 0.00 N ATOM 821 CA GLY A 53 0.765 4.521 -5.040 1.00 0.00 C ATOM 822 C GLY A 53 0.048 5.698 -5.704 1.00 0.00 C ATOM 823 O GLY A 53 -0.809 6.333 -5.092 1.00 0.00 O ATOM 0 H GLY A 53 -0.008 5.097 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.772 4.428 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.241 3.594 -5.272 1.00 0.00 H new ATOM 827 N THR A 54 0.425 5.953 -6.949 1.00 0.00 N ATOM 828 CA THR A 54 -0.172 7.042 -7.703 1.00 0.00 C ATOM 829 C THR A 54 -0.467 6.600 -9.137 1.00 0.00 C ATOM 830 O THR A 54 0.179 5.689 -9.655 1.00 0.00 O ATOM 831 CB THR A 54 0.770 8.246 -7.620 1.00 0.00 C ATOM 832 OG1 THR A 54 2.033 7.727 -8.025 1.00 0.00 O ATOM 833 CG2 THR A 54 1.002 8.709 -6.180 1.00 0.00 C ATOM 0 H THR A 54 1.136 5.424 -7.454 1.00 0.00 H new ATOM 0 HA THR A 54 -1.134 7.333 -7.282 1.00 0.00 H new ATOM 0 HB THR A 54 0.359 9.069 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.703 8.442 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.677 9.565 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.050 8.996 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.444 7.897 -5.603 1.00 0.00 H new ATOM 841 N GLY A 55 -1.442 7.264 -9.739 1.00 0.00 N ATOM 842 CA GLY A 55 -1.830 6.950 -11.104 1.00 0.00 C ATOM 843 C GLY A 55 -2.952 7.875 -11.581 1.00 0.00 C ATOM 844 O GLY A 55 -3.309 8.831 -10.893 1.00 0.00 O ATOM 0 H GLY A 55 -1.975 8.018 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.967 7.049 -11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.159 5.913 -11.163 1.00 0.00 H new ATOM 848 N PRO A 56 -3.491 7.550 -12.786 1.00 0.00 N ATOM 849 CA PRO A 56 -4.565 8.341 -13.364 1.00 0.00 C ATOM 850 C PRO A 56 -5.892 8.062 -12.656 1.00 0.00 C ATOM 851 O PRO A 56 -6.750 8.939 -12.568 1.00 0.00 O ATOM 852 CB PRO A 56 -4.585 7.961 -14.835 1.00 0.00 C ATOM 853 CG PRO A 56 -3.839 6.641 -14.936 1.00 0.00 C ATOM 854 CD PRO A 56 -3.094 6.426 -13.629 1.00 0.00 C ATOM 0 HA PRO A 56 -4.409 9.413 -13.246 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.608 7.860 -15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.105 8.728 -15.443 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.535 5.822 -15.118 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.142 6.659 -15.774 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.363 5.474 -13.172 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.015 6.410 -13.786 1.00 0.00 H new ATOM 862 N ASN A 57 -6.021 6.836 -12.170 1.00 0.00 N ATOM 863 CA ASN A 57 -7.229 6.430 -11.473 1.00 0.00 C ATOM 864 C ASN A 57 -6.849 5.707 -10.179 1.00 0.00 C ATOM 865 O ASN A 57 -5.717 5.248 -10.031 1.00 0.00 O ATOM 866 CB ASN A 57 -8.060 5.469 -12.325 1.00 0.00 C ATOM 867 CG ASN A 57 -7.248 4.946 -13.511 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.958 5.656 -14.460 1.00 0.00 O ATOM 869 ND2 ASN A 57 -6.899 3.667 -13.405 1.00 0.00 N ATOM 0 H ASN A 57 -5.308 6.110 -12.245 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.814 7.326 -11.265 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.396 4.632 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.953 5.978 -12.687 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.356 3.224 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.175 3.130 -12.583 1.00 0.00 H new ATOM 876 N LYS A 58 -7.815 5.628 -9.277 1.00 0.00 N ATOM 877 CA LYS A 58 -7.595 4.968 -8.001 1.00 0.00 C ATOM 878 C LYS A 58 -7.016 3.573 -8.246 1.00 0.00 C ATOM 879 O LYS A 58 -6.028 3.189 -7.623 1.00 0.00 O ATOM 880 CB LYS A 58 -8.881 4.963 -7.172 1.00 0.00 C ATOM 881 CG LYS A 58 -8.573 4.785 -5.684 1.00 0.00 C ATOM 882 CD LYS A 58 -9.834 4.403 -4.905 1.00 0.00 C ATOM 883 CE LYS A 58 -10.635 5.646 -4.515 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.085 5.350 -4.518 1.00 0.00 N ATOM 0 H LYS A 58 -8.752 6.010 -9.404 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.863 5.518 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.421 5.897 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.533 4.158 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.814 4.013 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.159 5.709 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.454 3.742 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.558 3.848 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.330 5.987 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.422 6.457 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.614 6.205 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.375 5.046 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.286 4.591 -3.836 1.00 0.00 H new ATOM 898 N LYS A 59 -7.657 2.852 -9.155 1.00 0.00 N ATOM 899 CA LYS A 59 -7.218 1.509 -9.490 1.00 0.00 C ATOM 900 C LYS A 59 -5.692 1.487 -9.599 1.00 0.00 C ATOM 901 O LYS A 59 -5.009 0.995 -8.702 1.00 0.00 O ATOM 902 CB LYS A 59 -7.931 1.010 -10.749 1.00 0.00 C ATOM 903 CG LYS A 59 -9.311 0.443 -10.409 1.00 0.00 C ATOM 904 CD LYS A 59 -10.423 1.325 -10.983 1.00 0.00 C ATOM 905 CE LYS A 59 -11.529 1.553 -9.951 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.184 2.861 -10.175 1.00 0.00 N ATOM 0 H LYS A 59 -8.477 3.173 -9.669 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.492 0.811 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.036 1.829 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.327 0.242 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.401 -0.568 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.422 0.370 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.008 2.284 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.842 0.855 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.267 0.754 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.110 1.517 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.932 3.000 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.480 3.621 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.601 2.882 -11.127 1.00 0.00 H new ATOM 920 N ILE A 60 -5.202 2.028 -10.704 1.00 0.00 N ATOM 921 CA ILE A 60 -3.769 2.077 -10.942 1.00 0.00 C ATOM 922 C ILE A 60 -3.066 2.597 -9.686 1.00 0.00 C ATOM 923 O ILE A 60 -2.108 1.990 -9.211 1.00 0.00 O ATOM 924 CB ILE A 60 -3.463 2.892 -12.200 1.00 0.00 C ATOM 925 CG1 ILE A 60 -3.909 2.145 -13.459 1.00 0.00 C ATOM 926 CG2 ILE A 60 -1.983 3.277 -12.256 1.00 0.00 C ATOM 927 CD1 ILE A 60 -3.727 3.014 -14.705 1.00 0.00 C ATOM 0 H ILE A 60 -5.772 2.436 -11.445 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.380 1.077 -11.135 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.036 3.818 -12.155 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.332 1.226 -13.565 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.955 1.855 -13.363 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.792 3.856 -13.160 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.729 3.876 -11.381 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.372 2.374 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.051 2.460 -15.586 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.324 3.921 -14.607 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.676 3.282 -14.812 1.00 0.00 H new ATOM 939 N ALA A 61 -3.570 3.715 -9.185 1.00 0.00 N ATOM 940 CA ALA A 61 -3.002 4.323 -7.993 1.00 0.00 C ATOM 941 C ALA A 61 -2.815 3.251 -6.918 1.00 0.00 C ATOM 942 O ALA A 61 -1.802 3.235 -6.222 1.00 0.00 O ATOM 943 CB ALA A 61 -3.904 5.468 -7.525 1.00 0.00 C ATOM 0 H ALA A 61 -4.365 4.216 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.021 4.747 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.479 5.924 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.980 6.217 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.896 5.079 -7.297 1.00 0.00 H new ATOM 949 N LYS A 62 -3.809 2.381 -6.817 1.00 0.00 N ATOM 950 CA LYS A 62 -3.767 1.307 -5.838 1.00 0.00 C ATOM 951 C LYS A 62 -2.707 0.286 -6.253 1.00 0.00 C ATOM 952 O LYS A 62 -1.856 -0.093 -5.450 1.00 0.00 O ATOM 953 CB LYS A 62 -5.160 0.704 -5.644 1.00 0.00 C ATOM 954 CG LYS A 62 -5.275 0.018 -4.282 1.00 0.00 C ATOM 955 CD LYS A 62 -5.556 -1.477 -4.443 1.00 0.00 C ATOM 956 CE LYS A 62 -7.008 -1.721 -4.859 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.763 -2.358 -3.757 1.00 0.00 N ATOM 0 H LYS A 62 -4.648 2.397 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.473 1.693 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.914 1.487 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.362 -0.017 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.352 0.160 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.074 0.482 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.884 -1.898 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.352 -1.992 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.478 -0.776 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.037 -2.358 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.746 -2.517 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.323 -3.269 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.751 -1.737 -2.923 1.00 0.00 H new ATOM 971 N LYS A 63 -2.792 -0.131 -7.508 1.00 0.00 N ATOM 972 CA LYS A 63 -1.850 -1.102 -8.040 1.00 0.00 C ATOM 973 C LYS A 63 -0.423 -0.632 -7.752 1.00 0.00 C ATOM 974 O LYS A 63 0.427 -1.426 -7.351 1.00 0.00 O ATOM 975 CB LYS A 63 -2.125 -1.358 -9.523 1.00 0.00 C ATOM 976 CG LYS A 63 -3.047 -2.565 -9.709 1.00 0.00 C ATOM 977 CD LYS A 63 -4.034 -2.330 -10.854 1.00 0.00 C ATOM 978 CE LYS A 63 -5.232 -1.502 -10.383 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.500 -2.162 -10.766 1.00 0.00 N ATOM 0 H LYS A 63 -3.499 0.186 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.975 -2.065 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.582 -0.475 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.185 -1.530 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.451 -3.454 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.594 -2.755 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.531 -1.816 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.380 -3.288 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.192 -1.377 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.187 -0.505 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.294 -1.694 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.630 -2.093 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.468 -3.163 -10.487 1.00 0.00 H new ATOM 993 N ASN A 64 -0.204 0.657 -7.966 1.00 0.00 N ATOM 994 CA ASN A 64 1.106 1.242 -7.734 1.00 0.00 C ATOM 995 C ASN A 64 1.430 1.181 -6.240 1.00 0.00 C ATOM 996 O ASN A 64 2.588 1.016 -5.859 1.00 0.00 O ATOM 997 CB ASN A 64 1.138 2.710 -8.165 1.00 0.00 C ATOM 998 CG ASN A 64 1.477 2.838 -9.651 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.551 3.272 -10.034 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.504 2.438 -10.465 1.00 0.00 N ATOM 0 H ASN A 64 -0.911 1.313 -8.297 1.00 0.00 H new ATOM 0 HA ASN A 64 1.835 0.679 -8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.170 3.172 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.876 3.251 -7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.633 2.485 -11.476 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.371 2.085 -10.078 1.00 0.00 H new ATOM 1007 N ALA A 65 0.387 1.317 -5.435 1.00 0.00 N ATOM 1008 CA ALA A 65 0.546 1.279 -3.991 1.00 0.00 C ATOM 1009 C ALA A 65 1.134 -0.073 -3.583 1.00 0.00 C ATOM 1010 O ALA A 65 2.102 -0.130 -2.826 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.802 1.554 -3.322 1.00 0.00 C ATOM 0 H ALA A 65 -0.572 1.454 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 65 1.238 2.053 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.683 1.526 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.163 2.538 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.522 0.795 -3.628 1.00 0.00 H new ATOM 1017 N ALA A 66 0.525 -1.129 -4.102 1.00 0.00 N ATOM 1018 CA ALA A 66 0.976 -2.477 -3.800 1.00 0.00 C ATOM 1019 C ALA A 66 2.404 -2.660 -4.319 1.00 0.00 C ATOM 1020 O ALA A 66 3.240 -3.259 -3.645 1.00 0.00 O ATOM 1021 CB ALA A 66 0.002 -3.489 -4.407 1.00 0.00 C ATOM 0 H ALA A 66 -0.277 -1.078 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 66 0.992 -2.644 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.340 -4.500 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.992 -3.336 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.037 -3.353 -5.488 1.00 0.00 H new ATOM 1027 N GLU A 67 2.639 -2.133 -5.511 1.00 0.00 N ATOM 1028 CA GLU A 67 3.951 -2.230 -6.127 1.00 0.00 C ATOM 1029 C GLU A 67 5.026 -1.705 -5.174 1.00 0.00 C ATOM 1030 O GLU A 67 5.970 -2.420 -4.842 1.00 0.00 O ATOM 1031 CB GLU A 67 3.987 -1.481 -7.461 1.00 0.00 C ATOM 1032 CG GLU A 67 5.059 -2.061 -8.387 1.00 0.00 C ATOM 1033 CD GLU A 67 4.978 -1.434 -9.780 1.00 0.00 C ATOM 1034 OE1 GLU A 67 3.838 -1.285 -10.269 1.00 0.00 O ATOM 1035 OE2 GLU A 67 6.058 -1.118 -10.323 1.00 0.00 O ATOM 0 H GLU A 67 1.943 -1.637 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 67 4.158 -3.280 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.012 -1.544 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.188 -0.424 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.047 -1.884 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.934 -3.141 -8.463 1.00 0.00 H new ATOM 1042 N ALA A 68 4.846 -0.459 -4.760 1.00 0.00 N ATOM 1043 CA ALA A 68 5.789 0.171 -3.851 1.00 0.00 C ATOM 1044 C ALA A 68 6.009 -0.739 -2.641 1.00 0.00 C ATOM 1045 O ALA A 68 7.147 -0.987 -2.246 1.00 0.00 O ATOM 1046 CB ALA A 68 5.269 1.554 -3.453 1.00 0.00 C ATOM 0 H ALA A 68 4.061 0.131 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 68 6.754 0.313 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.976 2.026 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.157 2.171 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.303 1.451 -2.959 1.00 0.00 H new ATOM 1052 N MET A 69 4.902 -1.211 -2.086 1.00 0.00 N ATOM 1053 CA MET A 69 4.961 -2.088 -0.929 1.00 0.00 C ATOM 1054 C MET A 69 5.860 -3.296 -1.201 1.00 0.00 C ATOM 1055 O MET A 69 6.771 -3.583 -0.427 1.00 0.00 O ATOM 1056 CB MET A 69 3.550 -2.569 -0.582 1.00 0.00 C ATOM 1057 CG MET A 69 3.586 -3.602 0.547 1.00 0.00 C ATOM 1058 SD MET A 69 4.576 -2.992 1.901 1.00 0.00 S ATOM 1059 CE MET A 69 3.330 -2.104 2.821 1.00 0.00 C ATOM 0 H MET A 69 3.960 -1.003 -2.416 1.00 0.00 H new ATOM 0 HA MET A 69 5.380 -1.528 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.935 -1.720 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.083 -3.006 -1.465 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.573 -3.812 0.892 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.998 -4.541 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.481 -2.266 3.888 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.405 -1.039 2.601 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.342 -2.464 2.536 1.00 0.00 H new ATOM 1069 N LEU A 70 5.572 -3.971 -2.304 1.00 0.00 N ATOM 1070 CA LEU A 70 6.343 -5.141 -2.688 1.00 0.00 C ATOM 1071 C LEU A 70 7.796 -4.731 -2.934 1.00 0.00 C ATOM 1072 O LEU A 70 8.718 -5.489 -2.636 1.00 0.00 O ATOM 1073 CB LEU A 70 5.692 -5.844 -3.881 1.00 0.00 C ATOM 1074 CG LEU A 70 4.205 -6.175 -3.735 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.469 -5.988 -5.063 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.010 -7.581 -3.164 1.00 0.00 C ATOM 0 H LEU A 70 4.815 -3.730 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 70 6.350 -5.874 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.819 -5.215 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.233 -6.771 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 70 3.767 -5.475 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.414 -6.230 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.566 -4.953 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.902 -6.648 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.945 -7.791 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.467 -8.311 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.480 -7.643 -2.182 1.00 0.00 H new ATOM 1088 N LEU A 71 7.955 -3.532 -3.476 1.00 0.00 N ATOM 1089 CA LEU A 71 9.280 -3.012 -3.766 1.00 0.00 C ATOM 1090 C LEU A 71 10.037 -2.795 -2.453 1.00 0.00 C ATOM 1091 O LEU A 71 11.238 -3.046 -2.376 1.00 0.00 O ATOM 1092 CB LEU A 71 9.185 -1.757 -4.635 1.00 0.00 C ATOM 1093 CG LEU A 71 9.383 -1.965 -6.138 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.372 -1.146 -6.943 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.825 -1.660 -6.548 1.00 0.00 C ATOM 0 H LEU A 71 7.188 -2.906 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 71 9.852 -3.733 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.207 -1.303 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.929 -1.041 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 71 9.199 -3.015 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.535 -1.312 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.361 -1.454 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.499 -0.087 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.939 -1.816 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.061 -0.624 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.504 -2.323 -6.011 1.00 0.00 H new ATOM 1107 N GLN A 72 9.301 -2.330 -1.454 1.00 0.00 N ATOM 1108 CA GLN A 72 9.888 -2.076 -0.149 1.00 0.00 C ATOM 1109 C GLN A 72 10.149 -3.395 0.581 1.00 0.00 C ATOM 1110 O GLN A 72 11.165 -3.543 1.259 1.00 0.00 O ATOM 1111 CB GLN A 72 8.993 -1.157 0.685 1.00 0.00 C ATOM 1112 CG GLN A 72 8.465 -1.881 1.925 1.00 0.00 C ATOM 1113 CD GLN A 72 7.685 -0.925 2.828 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.043 -0.674 3.967 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.601 -0.406 2.259 1.00 0.00 N ATOM 0 H GLN A 72 8.305 -2.123 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 72 10.841 -1.568 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.555 -0.273 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.156 -0.810 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.821 -2.707 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.298 -2.313 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.358 -0.658 1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.013 0.244 2.780 1.00 0.00 H new ATOM 1124 N LEU A 73 9.215 -4.321 0.418 1.00 0.00 N ATOM 1125 CA LEU A 73 9.332 -5.622 1.053 1.00 0.00 C ATOM 1126 C LEU A 73 10.580 -6.333 0.524 1.00 0.00 C ATOM 1127 O LEU A 73 11.248 -7.054 1.264 1.00 0.00 O ATOM 1128 CB LEU A 73 8.043 -6.426 0.869 1.00 0.00 C ATOM 1129 CG LEU A 73 6.824 -5.927 1.648 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.601 -6.804 1.374 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.134 -5.826 3.143 1.00 0.00 C ATOM 0 H LEU A 73 8.374 -4.195 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 73 9.460 -5.510 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.792 -6.435 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.238 -7.458 1.160 1.00 0.00 H new ATOM 0 HG LEU A 73 6.583 -4.923 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.749 -6.427 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.368 -6.781 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.813 -7.829 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.252 -5.469 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.414 -6.808 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.957 -5.129 3.298 1.00 0.00 H new ATOM 1143 N GLY A 74 10.856 -6.104 -0.751 1.00 0.00 N ATOM 1144 CA GLY A 74 12.012 -6.713 -1.387 1.00 0.00 C ATOM 1145 C GLY A 74 11.588 -7.840 -2.331 1.00 0.00 C ATOM 1146 O GLY A 74 12.298 -8.834 -2.475 1.00 0.00 O ATOM 0 H GLY A 74 10.299 -5.505 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.566 -5.957 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.686 -7.106 -0.625 1.00 0.00 H new ATOM 1150 N TYR A 75 10.433 -7.647 -2.950 1.00 0.00 N ATOM 1151 CA TYR A 75 9.906 -8.635 -3.876 1.00 0.00 C ATOM 1152 C TYR A 75 10.048 -8.159 -5.324 1.00 0.00 C ATOM 1153 O TYR A 75 9.913 -8.950 -6.256 1.00 0.00 O ATOM 1154 CB TYR A 75 8.420 -8.776 -3.542 1.00 0.00 C ATOM 1155 CG TYR A 75 8.142 -9.582 -2.271 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.714 -9.202 -1.074 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.319 -10.689 -2.323 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.452 -9.961 0.121 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.057 -11.447 -1.127 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.637 -11.046 0.036 1.00 0.00 C ATOM 1161 OH TYR A 75 7.390 -11.763 1.165 1.00 0.00 O ATOM 0 H TYR A 75 9.847 -6.821 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 75 10.447 -9.577 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.987 -7.782 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.913 -9.253 -4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.358 -8.336 -1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.872 -10.986 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.893 -9.675 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.414 -12.315 -1.153 1.00 0.00 H new ATOM 0 HH TYR A 75 6.791 -12.509 0.954 1.00 0.00 H new