USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 39 HIS : no HE2:sc= -0.189 K(o=0.68,f=-3.4!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.864 K(o=0.68,f=-3.9!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.445 K(o=1.4,f=-1.5) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.997 K(o=1.4,f=-1.5!) USER MOD Set 2.3: A 61 HIS : no HD1:sc= 0 X(o=1.4,f=1.4) USER MOD Set 3.1: A 20 SER OG : rot -122:sc= 1.24 USER MOD Set 3.2: A 21 THR OG1 : rot 78:sc= 0.671 USER MOD Set 3.3: A 33 THR OG1 : rot 98:sc= 1.47 USER MOD Set 4.1: A 13 GLN : amide:sc= -7.67! K(o=-12!,f=3.1) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 176:sc= -4.71! (180deg=2.06) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 38:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot -92:sc= 0.0567 USER MOD Single : A 15 HIS : no HE2:sc= 0.236 K(o=0.24,f=-3.3!) USER MOD Single : A 16 ASN : amide:sc= 0.555 K(o=0.55,f=-2.7!) USER MOD Single : A 26 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.4) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0.538 (180deg=0.282) USER MOD Single : A 30 TYR OH : rot 36:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 92:sc= 1.87 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 71 SER OG : rot -54:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.734 (180deg=-3.34!) USER MOD Single : A 73 THR OG1 : rot 77:sc= 0.418 USER MOD Single : A 80 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -8.114 13.101 -0.602 1.00 10.00 N ATOM 52 CA TYR A 6 -8.794 11.853 -0.772 1.00 10.00 C ATOM 53 C TYR A 6 -8.829 11.370 -2.218 1.00 10.00 C ATOM 54 O TYR A 6 -8.823 12.104 -3.202 1.00 10.00 O ATOM 55 CB TYR A 6 -10.178 11.815 -0.129 1.00 10.00 C ATOM 56 CG TYR A 6 -10.245 11.568 1.355 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.251 10.241 1.792 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.311 12.612 2.290 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.177 9.938 3.152 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.297 12.312 3.666 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.201 10.974 4.098 1.00 10.00 C ATOM 62 OH TYR A 6 -10.045 10.686 5.420 1.00 10.00 O ATOM 0 HA TYR A 6 -8.182 11.139 -0.222 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.672 12.765 -0.335 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.760 11.039 -0.626 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.314 9.441 1.069 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.372 13.638 1.957 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.102 8.910 3.475 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.360 13.109 4.392 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.085 11.514 5.942 1.00 10.00 H new ATOM 72 N TYR A 7 -8.785 10.053 -2.266 1.00 10.00 N ATOM 73 CA TYR A 7 -8.532 9.191 -3.367 1.00 10.00 C ATOM 74 C TYR A 7 -9.543 8.057 -3.214 1.00 10.00 C ATOM 75 O TYR A 7 -9.762 7.542 -2.118 1.00 10.00 O ATOM 76 CB TYR A 7 -7.102 8.744 -3.121 1.00 10.00 C ATOM 77 CG TYR A 7 -6.044 9.693 -3.655 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.615 10.773 -2.866 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.476 9.506 -4.925 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.466 11.490 -3.230 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.299 10.194 -5.273 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.743 11.117 -4.372 1.00 10.00 C ATOM 83 OH TYR A 7 -2.470 11.569 -4.533 1.00 10.00 O ATOM 0 H TYR A 7 -8.949 9.510 -1.418 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.630 9.607 -4.370 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.953 8.621 -2.048 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -6.957 7.765 -3.578 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.169 11.051 -1.981 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -5.941 8.836 -5.633 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.139 12.328 -2.632 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.826 10.013 -6.227 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.012 11.573 -3.667 1.00 10.00 H new ATOM 93 N THR A 8 -10.242 7.732 -4.289 1.00 10.00 N ATOM 94 CA THR A 8 -11.458 6.942 -4.222 1.00 10.00 C ATOM 95 C THR A 8 -11.142 5.468 -4.389 1.00 10.00 C ATOM 96 O THR A 8 -10.213 5.139 -5.115 1.00 10.00 O ATOM 97 CB THR A 8 -12.395 7.421 -5.334 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.661 7.507 -6.537 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.923 8.808 -4.982 1.00 10.00 C ATOM 0 H THR A 8 -9.980 8.010 -5.235 1.00 10.00 H new ATOM 0 HA THR A 8 -11.936 7.068 -3.250 1.00 10.00 H new ATOM 0 HB THR A 8 -13.227 6.725 -5.445 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.302 8.413 -6.637 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.591 9.154 -5.771 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.468 8.761 -4.039 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.088 9.501 -4.884 1.00 10.00 H new ATOM 107 N LEU A 9 -11.927 4.577 -3.775 1.00 10.00 N ATOM 108 CA LEU A 9 -11.917 3.159 -4.135 1.00 10.00 C ATOM 109 C LEU A 9 -11.835 2.962 -5.647 1.00 10.00 C ATOM 110 O LEU A 9 -10.998 2.192 -6.104 1.00 10.00 O ATOM 111 CB LEU A 9 -13.112 2.455 -3.493 1.00 10.00 C ATOM 112 CG LEU A 9 -13.371 1.005 -3.949 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.014 0.217 -2.801 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.309 0.924 -5.161 1.00 10.00 C ATOM 0 H LEU A 9 -12.577 4.815 -3.026 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.015 2.693 -3.737 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.970 2.454 -2.412 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.007 3.044 -3.696 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.406 0.587 -4.234 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.198 -0.808 -3.122 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.344 0.214 -1.942 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.958 0.685 -2.523 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.456 -0.120 -5.438 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.270 1.371 -4.908 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.868 1.464 -5.999 1.00 10.00 H new ATOM 126 N GLU A 10 -12.654 3.695 -6.412 1.00 10.00 N ATOM 127 CA GLU A 10 -12.614 3.705 -7.870 1.00 10.00 C ATOM 128 C GLU A 10 -11.170 3.714 -8.372 1.00 10.00 C ATOM 129 O GLU A 10 -10.743 2.803 -9.076 1.00 10.00 O ATOM 130 CB GLU A 10 -13.382 4.932 -8.387 1.00 10.00 C ATOM 131 CG GLU A 10 -13.501 4.987 -9.917 1.00 10.00 C ATOM 132 CD GLU A 10 -14.239 3.786 -10.491 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.485 3.834 -10.498 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.537 2.834 -10.900 1.00 10.00 O ATOM 0 H GLU A 10 -13.373 4.306 -6.024 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.088 2.800 -8.250 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.382 4.933 -7.954 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.883 5.836 -8.038 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.022 5.900 -10.204 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.504 5.038 -10.354 1.00 10.00 H new ATOM 141 N GLU A 11 -10.404 4.727 -7.976 1.00 10.00 N ATOM 142 CA GLU A 11 -8.999 4.816 -8.339 1.00 10.00 C ATOM 143 C GLU A 11 -8.204 3.682 -7.703 1.00 10.00 C ATOM 144 O GLU A 11 -7.420 2.994 -8.356 1.00 10.00 O ATOM 145 CB GLU A 11 -8.421 6.141 -7.822 1.00 10.00 C ATOM 146 CG GLU A 11 -8.956 7.396 -8.524 1.00 10.00 C ATOM 147 CD GLU A 11 -8.489 7.534 -9.970 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.638 6.720 -10.387 1.00 10.00 O ATOM 149 OE2 GLU A 11 -8.992 8.466 -10.630 1.00 10.00 O ATOM 0 H GLU A 11 -10.738 5.500 -7.401 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.925 4.754 -9.425 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.632 6.221 -6.756 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.337 6.115 -7.932 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.046 7.377 -8.503 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.642 8.277 -7.964 1.00 10.00 H new ATOM 156 N ILE A 12 -8.359 3.531 -6.392 1.00 10.00 N ATOM 157 CA ILE A 12 -7.467 2.731 -5.587 1.00 10.00 C ATOM 158 C ILE A 12 -7.447 1.298 -6.107 1.00 10.00 C ATOM 159 O ILE A 12 -6.363 0.753 -6.297 1.00 10.00 O ATOM 160 CB ILE A 12 -7.827 2.853 -4.089 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.535 4.264 -3.550 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.070 1.834 -3.232 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.346 4.585 -2.295 1.00 10.00 C ATOM 0 H ILE A 12 -9.114 3.966 -5.863 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.447 3.105 -5.673 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.896 2.651 -4.020 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.472 4.352 -3.325 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.759 4.999 -4.323 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.354 1.956 -2.187 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.320 0.825 -3.561 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.997 1.995 -3.338 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.105 5.591 -1.953 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.410 4.525 -2.524 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.103 3.868 -1.511 1.00 10.00 H new ATOM 175 N GLN A 13 -8.624 0.728 -6.407 1.00 10.00 N ATOM 176 CA GLN A 13 -8.758 -0.609 -6.995 1.00 10.00 C ATOM 177 C GLN A 13 -7.772 -0.760 -8.149 1.00 10.00 C ATOM 178 O GLN A 13 -7.074 -1.753 -8.326 1.00 10.00 O ATOM 179 CB GLN A 13 -10.119 -0.744 -7.701 1.00 10.00 C ATOM 180 CG GLN A 13 -11.392 -1.011 -6.904 1.00 10.00 C ATOM 181 CD GLN A 13 -12.578 -1.106 -7.867 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.642 -1.572 -7.412 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.395 -0.728 -9.053 1.00 10.00 N ATOM 0 H GLN A 13 -9.519 1.190 -6.245 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.613 -1.327 -6.188 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.280 0.176 -8.263 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.023 -1.549 -8.429 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.293 -1.937 -6.337 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.558 -0.212 -6.182 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.487 -0.359 -9.336 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.154 -0.791 -9.731 1.00 10.00 H new ATOM 190 N LYS A 14 -7.869 0.253 -8.996 1.00 10.00 N ATOM 191 CA LYS A 14 -7.389 0.342 -10.346 1.00 10.00 C ATOM 192 C LYS A 14 -5.864 0.438 -10.276 1.00 10.00 C ATOM 193 O LYS A 14 -5.144 -0.230 -11.017 1.00 10.00 O ATOM 194 CB LYS A 14 -8.102 1.588 -10.903 1.00 10.00 C ATOM 195 CG LYS A 14 -8.647 1.502 -12.325 1.00 10.00 C ATOM 196 CD LYS A 14 -9.803 0.485 -12.493 1.00 10.00 C ATOM 197 CE LYS A 14 -11.228 1.018 -12.224 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.645 1.050 -10.804 1.00 10.00 N ATOM 0 H LYS A 14 -8.335 1.116 -8.715 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.598 -0.505 -10.999 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.931 1.829 -10.237 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.405 2.424 -10.859 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.997 2.488 -12.630 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.835 1.229 -12.999 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.770 0.095 -13.510 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.620 -0.355 -11.823 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.300 2.028 -12.627 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.937 0.402 -12.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.586 1.485 -10.728 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.681 0.080 -10.431 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.961 1.607 -10.254 1.00 10.00 H new ATOM 212 N HIS A 15 -5.379 1.224 -9.316 1.00 10.00 N ATOM 213 CA HIS A 15 -3.977 1.341 -8.963 1.00 10.00 C ATOM 214 C HIS A 15 -3.431 0.090 -8.253 1.00 10.00 C ATOM 215 O HIS A 15 -3.005 0.120 -7.097 1.00 10.00 O ATOM 216 CB HIS A 15 -3.808 2.599 -8.122 1.00 10.00 C ATOM 217 CG HIS A 15 -3.556 3.827 -8.948 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.303 4.251 -9.294 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.465 4.658 -9.545 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.438 5.327 -10.084 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.736 5.609 -10.272 1.00 10.00 N ATOM 0 H HIS A 15 -5.981 1.817 -8.744 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.385 1.421 -9.874 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.704 2.750 -7.520 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.979 2.457 -7.429 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.423 3.825 -9.003 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.540 4.593 -9.470 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.618 5.887 -10.508 1.00 10.00 H new ATOM 229 N ASN A 16 -3.364 -1.014 -8.990 1.00 10.00 N ATOM 230 CA ASN A 16 -2.720 -2.256 -8.552 1.00 10.00 C ATOM 231 C ASN A 16 -2.174 -3.085 -9.724 1.00 10.00 C ATOM 232 O ASN A 16 -1.897 -4.280 -9.582 1.00 10.00 O ATOM 233 CB ASN A 16 -3.666 -3.058 -7.645 1.00 10.00 C ATOM 234 CG ASN A 16 -4.797 -3.789 -8.364 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.938 -3.726 -9.583 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.598 -4.519 -7.596 1.00 10.00 N ATOM 0 H ASN A 16 -3.762 -1.076 -9.927 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.844 -1.987 -7.962 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.078 -3.789 -7.091 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.103 -2.379 -6.913 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.360 -5.051 -8.015 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.451 -4.547 -6.587 1.00 10.00 H new ATOM 290 N SER A 20 0.938 2.462 -10.681 1.00 10.00 N ATOM 291 CA SER A 20 1.378 2.925 -9.383 1.00 10.00 C ATOM 292 C SER A 20 0.450 2.215 -8.404 1.00 10.00 C ATOM 293 O SER A 20 -0.724 2.035 -8.721 1.00 10.00 O ATOM 294 CB SER A 20 1.344 4.452 -9.286 1.00 10.00 C ATOM 295 OG SER A 20 2.528 4.936 -8.691 1.00 10.00 O ATOM 0 HA SER A 20 2.420 2.689 -9.169 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.227 4.883 -10.280 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.481 4.766 -8.699 1.00 10.00 H new ATOM 0 HG SER A 20 2.304 5.451 -7.888 1.00 10.00 H new ATOM 301 N THR A 21 1.005 1.701 -7.316 1.00 10.00 N ATOM 302 CA THR A 21 0.517 0.506 -6.641 1.00 10.00 C ATOM 303 C THR A 21 0.073 0.842 -5.215 1.00 10.00 C ATOM 304 O THR A 21 0.914 1.019 -4.335 1.00 10.00 O ATOM 305 CB THR A 21 1.642 -0.534 -6.657 1.00 10.00 C ATOM 306 OG1 THR A 21 2.335 -0.459 -7.892 1.00 10.00 O ATOM 307 CG2 THR A 21 1.063 -1.935 -6.471 1.00 10.00 C ATOM 0 H THR A 21 1.824 2.111 -6.868 1.00 10.00 H new ATOM 0 HA THR A 21 -0.356 0.102 -7.154 1.00 10.00 H new ATOM 0 HB THR A 21 2.333 -0.329 -5.840 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.942 0.310 -7.880 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.870 -2.667 -6.484 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.540 -1.989 -5.516 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.365 -2.151 -7.280 1.00 10.00 H new ATOM 315 N TRP A 22 -1.243 0.962 -5.020 1.00 10.00 N ATOM 316 CA TRP A 22 -1.891 1.677 -3.925 1.00 10.00 C ATOM 317 C TRP A 22 -2.480 0.700 -2.910 1.00 10.00 C ATOM 318 O TRP A 22 -3.070 -0.284 -3.326 1.00 10.00 O ATOM 319 CB TRP A 22 -2.997 2.527 -4.560 1.00 10.00 C ATOM 320 CG TRP A 22 -2.513 3.777 -5.242 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.236 4.058 -5.578 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.288 4.897 -5.750 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.176 5.228 -6.295 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.430 5.776 -6.473 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.637 5.268 -5.646 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.912 6.918 -7.132 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.138 6.393 -6.310 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.293 7.182 -7.106 1.00 10.00 C ATOM 0 H TRP A 22 -1.918 0.539 -5.657 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.175 2.297 -3.386 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.534 1.917 -5.287 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.713 2.805 -3.786 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.382 3.449 -5.320 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.313 5.640 -6.651 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.303 4.672 -5.040 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.235 7.581 -7.649 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.181 6.656 -6.210 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.702 7.989 -7.696 1.00 10.00 H new ATOM 339 N LEU A 23 -2.365 0.936 -1.600 1.00 10.00 N ATOM 340 CA LEU A 23 -3.048 0.121 -0.586 1.00 10.00 C ATOM 341 C LEU A 23 -3.523 1.008 0.562 1.00 10.00 C ATOM 342 O LEU A 23 -2.968 2.090 0.749 1.00 10.00 O ATOM 343 CB LEU A 23 -2.174 -1.033 -0.040 1.00 10.00 C ATOM 344 CG LEU A 23 -0.842 -1.318 -0.745 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.215 -0.472 -0.061 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.427 -2.789 -0.630 1.00 10.00 C ATOM 0 H LEU A 23 -1.800 1.692 -1.212 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.902 -0.343 -1.079 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.960 -0.824 1.008 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.769 -1.946 -0.068 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.949 -1.086 -1.805 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.182 -0.645 -0.534 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.049 0.582 -0.150 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.273 -0.744 0.993 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.522 -2.941 -1.145 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.316 -3.055 0.421 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.191 -3.419 -1.085 1.00 10.00 H new ATOM 358 N ILE A 24 -4.518 0.553 1.337 1.00 10.00 N ATOM 359 CA ILE A 24 -4.935 1.223 2.569 1.00 10.00 C ATOM 360 C ILE A 24 -4.193 0.616 3.748 1.00 10.00 C ATOM 361 O ILE A 24 -4.244 -0.597 3.938 1.00 10.00 O ATOM 362 CB ILE A 24 -6.457 1.123 2.836 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.342 1.311 1.592 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.856 2.134 3.921 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.703 0.616 1.747 1.00 10.00 C ATOM 0 H ILE A 24 -5.053 -0.289 1.125 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.695 2.279 2.447 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.636 0.100 3.168 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.496 2.375 1.414 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.828 0.912 0.717 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.927 2.063 4.108 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.312 1.915 4.840 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.612 3.142 3.586 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.297 0.774 0.847 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.551 -0.453 1.899 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.229 1.033 2.606 1.00 10.00 H new ATOM 377 N LEU A 25 -3.548 1.482 4.535 1.00 10.00 N ATOM 378 CA LEU A 25 -2.927 1.149 5.808 1.00 10.00 C ATOM 379 C LEU A 25 -3.418 2.203 6.807 1.00 10.00 C ATOM 380 O LEU A 25 -2.814 3.263 6.950 1.00 10.00 O ATOM 381 CB LEU A 25 -1.398 1.149 5.672 1.00 10.00 C ATOM 382 CG LEU A 25 -0.735 -0.199 5.347 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.115 -0.762 3.978 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.790 -0.038 5.385 1.00 10.00 C ATOM 0 H LEU A 25 -3.444 2.466 4.290 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.199 0.150 6.148 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.126 1.859 4.891 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.973 1.521 6.604 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.094 -0.900 6.101 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.607 -1.714 3.822 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.193 -0.914 3.934 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.816 -0.060 3.200 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.263 -0.993 5.155 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.096 0.705 4.649 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.097 0.288 6.379 1.00 10.00 H new ATOM 396 N HIS A 26 -4.529 1.931 7.490 1.00 10.00 N ATOM 397 CA HIS A 26 -5.117 2.822 8.488 1.00 10.00 C ATOM 398 C HIS A 26 -5.723 4.067 7.827 1.00 10.00 C ATOM 399 O HIS A 26 -5.337 5.190 8.143 1.00 10.00 O ATOM 400 CB HIS A 26 -4.107 3.185 9.603 1.00 10.00 C ATOM 401 CG HIS A 26 -3.225 2.060 10.097 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.503 1.196 11.135 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.954 1.782 9.664 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.428 0.407 11.306 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.459 0.725 10.431 1.00 10.00 N ATOM 0 H HIS A 26 -5.056 1.067 7.362 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.931 2.284 8.973 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.466 3.987 9.237 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.662 3.583 10.452 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.428 2.291 8.870 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.353 -0.376 12.046 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.544 0.283 10.344 1.00 10.00 H new ATOM 413 N TYR A 27 -6.672 3.873 6.898 1.00 10.00 N ATOM 414 CA TYR A 27 -7.435 4.912 6.186 1.00 10.00 C ATOM 415 C TYR A 27 -6.605 5.770 5.218 1.00 10.00 C ATOM 416 O TYR A 27 -7.113 6.196 4.178 1.00 10.00 O ATOM 417 CB TYR A 27 -8.261 5.792 7.139 1.00 10.00 C ATOM 418 CG TYR A 27 -9.577 5.187 7.589 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.599 4.103 8.486 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.792 5.739 7.138 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.828 3.565 8.913 1.00 10.00 C ATOM 422 CE2 TYR A 27 -12.013 5.236 7.609 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.037 4.126 8.468 1.00 10.00 C ATOM 424 OH TYR A 27 -13.221 3.588 8.874 1.00 10.00 O ATOM 0 H TYR A 27 -6.943 2.934 6.607 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.126 4.349 5.559 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.659 6.012 8.021 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.465 6.743 6.647 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.672 3.683 8.847 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.783 6.552 6.427 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -10.842 2.719 9.584 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.939 5.704 7.310 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.962 4.092 8.478 1.00 10.00 H new ATOM 434 N LYS A 28 -5.343 6.048 5.540 1.00 10.00 N ATOM 435 CA LYS A 28 -4.418 6.644 4.593 1.00 10.00 C ATOM 436 C LYS A 28 -4.148 5.658 3.442 1.00 10.00 C ATOM 437 O LYS A 28 -4.353 4.449 3.594 1.00 10.00 O ATOM 438 CB LYS A 28 -3.140 7.081 5.328 1.00 10.00 C ATOM 439 CG LYS A 28 -3.283 8.385 6.128 1.00 10.00 C ATOM 440 CD LYS A 28 -3.649 9.547 5.194 1.00 10.00 C ATOM 441 CE LYS A 28 -3.143 10.929 5.637 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.051 11.886 4.504 1.00 10.00 N ATOM 0 H LYS A 28 -4.940 5.866 6.459 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.849 7.540 4.146 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.835 6.284 6.006 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.339 7.202 4.599 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.051 8.268 6.892 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.350 8.606 6.646 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.251 9.333 4.202 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.734 9.588 5.100 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.813 11.332 6.397 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.162 10.823 6.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.535 12.736 4.809 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.545 11.439 3.713 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.008 12.153 4.197 1.00 10.00 H new ATOM 456 N VAL A 29 -3.696 6.188 2.299 1.00 10.00 N ATOM 457 CA VAL A 29 -3.463 5.457 1.054 1.00 10.00 C ATOM 458 C VAL A 29 -1.983 5.548 0.680 1.00 10.00 C ATOM 459 O VAL A 29 -1.396 6.631 0.723 1.00 10.00 O ATOM 460 CB VAL A 29 -4.348 6.032 -0.057 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.054 5.451 -1.434 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.816 5.742 0.227 1.00 10.00 C ATOM 0 H VAL A 29 -3.474 7.180 2.216 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.723 4.407 1.187 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.130 7.100 -0.065 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.718 5.905 -2.170 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.018 5.659 -1.703 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.215 4.373 -1.416 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.430 6.157 -0.572 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.970 4.664 0.280 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.100 6.196 1.176 1.00 10.00 H new ATOM 472 N TYR A 30 -1.399 4.396 0.337 1.00 10.00 N ATOM 473 CA TYR A 30 0.029 4.133 0.355 1.00 10.00 C ATOM 474 C TYR A 30 0.439 3.640 -1.027 1.00 10.00 C ATOM 475 O TYR A 30 -0.032 2.579 -1.424 1.00 10.00 O ATOM 476 CB TYR A 30 0.258 3.046 1.419 1.00 10.00 C ATOM 477 CG TYR A 30 0.093 3.566 2.831 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.198 3.837 3.304 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.199 3.807 3.665 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.383 4.354 4.590 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.998 4.258 4.985 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.296 4.500 5.457 1.00 10.00 C ATOM 483 OH TYR A 30 -0.517 4.733 6.780 1.00 10.00 O ATOM 0 H TYR A 30 -1.940 3.589 0.026 1.00 10.00 H new ATOM 0 HA TYR A 30 0.619 5.018 0.593 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.443 2.228 1.253 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.261 2.635 1.303 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.053 3.646 2.673 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.201 3.647 3.295 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.372 4.642 4.915 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.846 4.417 5.634 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.309 4.235 7.072 1.00 10.00 H new ATOM 493 N ASP A 31 1.285 4.384 -1.750 1.00 10.00 N ATOM 494 CA ASP A 31 1.792 3.984 -3.062 1.00 10.00 C ATOM 495 C ASP A 31 3.213 3.486 -2.879 1.00 10.00 C ATOM 496 O ASP A 31 3.995 4.179 -2.228 1.00 10.00 O ATOM 497 CB ASP A 31 1.840 5.166 -4.026 1.00 10.00 C ATOM 498 CG ASP A 31 2.030 4.741 -5.477 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.707 3.720 -5.731 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.462 5.434 -6.350 1.00 10.00 O ATOM 0 H ASP A 31 1.638 5.288 -1.435 1.00 10.00 H new ATOM 0 HA ASP A 31 1.132 3.220 -3.472 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.916 5.738 -3.938 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.655 5.831 -3.738 1.00 10.00 H new ATOM 505 N LEU A 32 3.549 2.320 -3.431 1.00 10.00 N ATOM 506 CA LEU A 32 4.901 1.791 -3.315 1.00 10.00 C ATOM 507 C LEU A 32 5.585 1.701 -4.682 1.00 10.00 C ATOM 508 O LEU A 32 6.504 2.468 -4.963 1.00 10.00 O ATOM 509 CB LEU A 32 4.928 0.466 -2.527 1.00 10.00 C ATOM 510 CG LEU A 32 3.746 0.221 -1.578 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.948 -1.134 -0.895 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.607 1.291 -0.498 1.00 10.00 C ATOM 0 H LEU A 32 2.906 1.730 -3.959 1.00 10.00 H new ATOM 0 HA LEU A 32 5.491 2.496 -2.729 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.972 -0.357 -3.241 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.849 0.432 -1.944 1.00 10.00 H new ATOM 0 HG LEU A 32 2.837 0.249 -2.179 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.117 -1.327 -0.216 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.989 -1.919 -1.650 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.882 -1.122 -0.332 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.753 1.057 0.138 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.513 1.317 0.107 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.455 2.263 -0.967 1.00 10.00 H new ATOM 524 N THR A 33 5.158 0.756 -5.524 1.00 10.00 N ATOM 525 CA THR A 33 5.530 0.626 -6.936 1.00 10.00 C ATOM 526 C THR A 33 6.999 0.266 -7.189 1.00 10.00 C ATOM 527 O THR A 33 7.273 -0.762 -7.794 1.00 10.00 O ATOM 528 CB THR A 33 5.084 1.865 -7.710 1.00 10.00 C ATOM 529 OG1 THR A 33 3.723 2.015 -7.405 1.00 10.00 O ATOM 530 CG2 THR A 33 5.215 1.678 -9.225 1.00 10.00 C ATOM 0 H THR A 33 4.512 0.025 -5.225 1.00 10.00 H new ATOM 0 HA THR A 33 4.992 -0.242 -7.317 1.00 10.00 H new ATOM 0 HB THR A 33 5.699 2.722 -7.435 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.618 2.683 -6.696 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.886 2.585 -9.733 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.256 1.477 -9.478 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.596 0.839 -9.543 1.00 10.00 H new ATOM 538 N LYS A 34 7.957 1.079 -6.741 1.00 10.00 N ATOM 539 CA LYS A 34 9.351 0.658 -6.718 1.00 10.00 C ATOM 540 C LYS A 34 9.542 -0.410 -5.645 1.00 10.00 C ATOM 541 O LYS A 34 10.270 -1.378 -5.842 1.00 10.00 O ATOM 542 CB LYS A 34 10.269 1.851 -6.438 1.00 10.00 C ATOM 543 CG LYS A 34 10.305 2.818 -7.625 1.00 10.00 C ATOM 544 CD LYS A 34 11.382 3.880 -7.373 1.00 10.00 C ATOM 545 CE LYS A 34 11.517 4.809 -8.587 1.00 10.00 C ATOM 546 NZ LYS A 34 12.594 5.803 -8.398 1.00 10.00 N ATOM 0 H LYS A 34 7.792 2.023 -6.393 1.00 10.00 H new ATOM 0 HA LYS A 34 9.611 0.245 -7.693 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.923 2.377 -5.548 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.277 1.495 -6.226 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.520 2.276 -8.546 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.332 3.292 -7.754 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.126 4.463 -6.488 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.337 3.396 -7.170 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.722 4.216 -9.478 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.572 5.325 -8.758 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.655 6.413 -9.238 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.386 6.386 -7.562 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.500 5.311 -8.260 1.00 10.00 H new ATOM 560 N PHE A 35 8.870 -0.243 -4.503 1.00 10.00 N ATOM 561 CA PHE A 35 9.168 -1.043 -3.323 1.00 10.00 C ATOM 562 C PHE A 35 8.813 -2.502 -3.563 1.00 10.00 C ATOM 563 O PHE A 35 9.409 -3.397 -2.984 1.00 10.00 O ATOM 564 CB PHE A 35 8.441 -0.503 -2.087 1.00 10.00 C ATOM 565 CG PHE A 35 9.185 -0.824 -0.807 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.384 -0.140 -0.531 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.824 -1.939 -0.029 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.223 -0.571 0.510 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.680 -2.385 0.992 1.00 10.00 C ATOM 570 CZ PHE A 35 10.876 -1.701 1.268 1.00 10.00 C ATOM 0 H PHE A 35 8.120 0.437 -4.375 1.00 10.00 H new ATOM 0 HA PHE A 35 10.239 -0.975 -3.134 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.324 0.577 -2.178 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.439 -0.929 -2.041 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.660 0.720 -1.123 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.892 -2.451 -0.216 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.134 -0.034 0.727 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.417 -3.259 1.569 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.526 -2.043 2.060 1.00 10.00 H new ATOM 580 N LEU A 36 7.849 -2.722 -4.454 1.00 10.00 N ATOM 581 CA LEU A 36 7.576 -3.986 -5.112 1.00 10.00 C ATOM 582 C LEU A 36 8.853 -4.814 -5.356 1.00 10.00 C ATOM 583 O LEU A 36 8.884 -5.995 -5.017 1.00 10.00 O ATOM 584 CB LEU A 36 6.851 -3.651 -6.421 1.00 10.00 C ATOM 585 CG LEU A 36 5.525 -2.894 -6.263 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.773 -2.991 -7.595 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.641 -3.425 -5.135 1.00 10.00 C ATOM 0 H LEU A 36 7.209 -1.984 -4.747 1.00 10.00 H new ATOM 0 HA LEU A 36 6.956 -4.616 -4.475 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.518 -3.055 -7.044 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.658 -4.580 -6.958 1.00 10.00 H new ATOM 0 HG LEU A 36 5.759 -1.863 -5.996 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.823 -2.462 -7.516 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.374 -2.542 -8.386 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.586 -4.038 -7.832 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.723 -2.840 -5.086 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.396 -4.470 -5.326 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.173 -3.345 -4.187 1.00 10.00 H new ATOM 599 N GLU A 37 9.908 -4.190 -5.897 1.00 10.00 N ATOM 600 CA GLU A 37 11.215 -4.811 -6.090 1.00 10.00 C ATOM 601 C GLU A 37 11.902 -5.075 -4.745 1.00 10.00 C ATOM 602 O GLU A 37 12.345 -6.183 -4.453 1.00 10.00 O ATOM 603 CB GLU A 37 12.096 -3.863 -6.921 1.00 10.00 C ATOM 604 CG GLU A 37 11.669 -3.776 -8.395 1.00 10.00 C ATOM 605 CD GLU A 37 12.354 -4.821 -9.271 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.611 -5.930 -8.756 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.634 -4.477 -10.440 1.00 10.00 O ATOM 0 H GLU A 37 9.871 -3.222 -6.217 1.00 10.00 H new ATOM 0 HA GLU A 37 11.078 -5.763 -6.603 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.063 -2.867 -6.480 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.131 -4.200 -6.869 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.589 -3.903 -8.464 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.898 -2.781 -8.777 1.00 10.00 H new ATOM 614 N GLU A 38 12.036 -4.014 -3.948 1.00 10.00 N ATOM 615 CA GLU A 38 12.804 -3.981 -2.710 1.00 10.00 C ATOM 616 C GLU A 38 12.275 -4.986 -1.675 1.00 10.00 C ATOM 617 O GLU A 38 13.021 -5.483 -0.834 1.00 10.00 O ATOM 618 CB GLU A 38 12.749 -2.552 -2.147 1.00 10.00 C ATOM 619 CG GLU A 38 13.250 -1.488 -3.140 1.00 10.00 C ATOM 620 CD GLU A 38 13.066 -0.077 -2.592 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.668 0.203 -1.534 1.00 10.00 O ATOM 622 OE2 GLU A 38 12.312 0.691 -3.229 1.00 10.00 O ATOM 0 H GLU A 38 11.593 -3.120 -4.159 1.00 10.00 H new ATOM 0 HA GLU A 38 13.833 -4.268 -2.926 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.723 -2.320 -1.863 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.350 -2.503 -1.239 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.304 -1.660 -3.357 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.711 -1.586 -4.082 1.00 10.00 H new ATOM 629 N HIS A 39 10.966 -5.227 -1.696 1.00 10.00 N ATOM 630 CA HIS A 39 10.217 -5.910 -0.660 1.00 10.00 C ATOM 631 C HIS A 39 10.599 -7.389 -0.531 1.00 10.00 C ATOM 632 O HIS A 39 10.374 -8.145 -1.474 1.00 10.00 O ATOM 633 CB HIS A 39 8.730 -5.788 -1.007 1.00 10.00 C ATOM 634 CG HIS A 39 7.815 -6.316 0.058 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.656 -7.026 -0.149 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.858 -5.959 1.375 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.018 -7.084 1.033 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.716 -6.451 1.998 1.00 10.00 N ATOM 0 H HIS A 39 10.377 -4.935 -2.476 1.00 10.00 H new ATOM 0 HA HIS A 39 10.446 -5.447 0.300 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.494 -4.740 -1.189 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.538 -6.324 -1.936 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.341 -7.431 -1.030 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.644 -5.392 1.851 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.069 -7.574 1.190 1.00 10.00 H new ATOM 646 N PRO A 40 11.052 -7.854 0.646 1.00 10.00 N ATOM 647 CA PRO A 40 11.201 -9.277 0.939 1.00 10.00 C ATOM 648 C PRO A 40 9.938 -10.090 0.625 1.00 10.00 C ATOM 649 O PRO A 40 10.027 -11.191 0.092 1.00 10.00 O ATOM 650 CB PRO A 40 11.573 -9.352 2.422 1.00 10.00 C ATOM 651 CG PRO A 40 12.307 -8.030 2.641 1.00 10.00 C ATOM 652 CD PRO A 40 11.500 -7.062 1.780 1.00 10.00 C ATOM 0 HA PRO A 40 11.968 -9.722 0.305 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.692 -9.438 3.058 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.208 -10.211 2.639 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.309 -7.735 3.690 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.348 -8.086 2.323 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.655 -6.651 2.333 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.110 -6.218 1.456 1.00 10.00 H new ATOM 660 N GLY A 41 8.755 -9.546 0.939 1.00 10.00 N ATOM 661 CA GLY A 41 7.484 -10.181 0.611 1.00 10.00 C ATOM 662 C GLY A 41 7.238 -10.287 -0.902 1.00 10.00 C ATOM 663 O GLY A 41 6.376 -11.054 -1.323 1.00 10.00 O ATOM 0 H GLY A 41 8.658 -8.655 1.426 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.459 -11.179 1.048 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.672 -9.613 1.066 1.00 10.00 H new ATOM 667 N GLY A 42 7.951 -9.510 -1.725 1.00 10.00 N ATOM 668 CA GLY A 42 7.753 -9.469 -3.167 1.00 10.00 C ATOM 669 C GLY A 42 6.543 -8.620 -3.552 1.00 10.00 C ATOM 670 O GLY A 42 5.848 -8.076 -2.688 1.00 10.00 O ATOM 0 H GLY A 42 8.689 -8.887 -1.398 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.646 -9.066 -3.645 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.620 -10.483 -3.544 1.00 10.00 H new ATOM 674 N GLU A 43 6.323 -8.498 -4.864 1.00 10.00 N ATOM 675 CA GLU A 43 5.291 -7.664 -5.454 1.00 10.00 C ATOM 676 C GLU A 43 3.914 -8.310 -5.296 1.00 10.00 C ATOM 677 O GLU A 43 3.039 -7.733 -4.656 1.00 10.00 O ATOM 678 CB GLU A 43 5.660 -7.353 -6.912 1.00 10.00 C ATOM 679 CG GLU A 43 4.480 -6.776 -7.700 1.00 10.00 C ATOM 680 CD GLU A 43 4.871 -6.287 -9.089 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.029 -5.850 -9.251 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.963 -6.309 -9.950 1.00 10.00 O ATOM 0 H GLU A 43 6.879 -8.995 -5.560 1.00 10.00 H new ATOM 0 HA GLU A 43 5.231 -6.712 -4.927 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.488 -6.645 -6.932 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.008 -8.264 -7.399 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.706 -7.538 -7.794 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.046 -5.949 -7.139 1.00 10.00 H new ATOM 689 N GLU A 44 3.705 -9.492 -5.879 1.00 10.00 N ATOM 690 CA GLU A 44 2.423 -10.190 -5.899 1.00 10.00 C ATOM 691 C GLU A 44 1.745 -10.164 -4.532 1.00 10.00 C ATOM 692 O GLU A 44 0.589 -9.774 -4.432 1.00 10.00 O ATOM 693 CB GLU A 44 2.638 -11.629 -6.383 1.00 10.00 C ATOM 694 CG GLU A 44 2.687 -11.715 -7.919 1.00 10.00 C ATOM 695 CD GLU A 44 3.522 -10.615 -8.560 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.698 -10.502 -8.148 1.00 10.00 O ATOM 697 OE2 GLU A 44 2.941 -9.865 -9.377 1.00 10.00 O ATOM 0 H GLU A 44 4.444 -10.002 -6.363 1.00 10.00 H new ATOM 0 HA GLU A 44 1.755 -9.675 -6.589 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.568 -12.017 -5.968 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.833 -12.262 -6.009 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.093 -12.684 -8.208 1.00 10.00 H new ATOM 0 HG3 GLU A 44 1.671 -11.665 -8.311 1.00 10.00 H new ATOM 704 N VAL A 45 2.474 -10.537 -3.481 1.00 10.00 N ATOM 705 CA VAL A 45 1.982 -10.483 -2.107 1.00 10.00 C ATOM 706 C VAL A 45 1.356 -9.120 -1.775 1.00 10.00 C ATOM 707 O VAL A 45 0.289 -9.058 -1.169 1.00 10.00 O ATOM 708 CB VAL A 45 3.121 -10.842 -1.136 1.00 10.00 C ATOM 709 CG1 VAL A 45 2.734 -10.627 0.333 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.534 -12.309 -1.320 1.00 10.00 C ATOM 0 H VAL A 45 3.429 -10.887 -3.561 1.00 10.00 H new ATOM 0 HA VAL A 45 1.185 -11.218 -1.995 1.00 10.00 H new ATOM 0 HB VAL A 45 3.950 -10.175 -1.373 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.574 -10.896 0.974 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.477 -9.580 0.492 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.876 -11.253 0.578 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.340 -12.550 -0.627 1.00 10.00 H new ATOM 0 HG22 VAL A 45 2.679 -12.955 -1.121 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.876 -12.465 -2.343 1.00 10.00 H new ATOM 720 N LEU A 46 2.006 -8.021 -2.167 1.00 10.00 N ATOM 721 CA LEU A 46 1.449 -6.688 -1.994 1.00 10.00 C ATOM 722 C LEU A 46 0.236 -6.516 -2.905 1.00 10.00 C ATOM 723 O LEU A 46 -0.822 -6.068 -2.470 1.00 10.00 O ATOM 724 CB LEU A 46 2.507 -5.617 -2.304 1.00 10.00 C ATOM 725 CG LEU A 46 3.712 -5.670 -1.353 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.888 -4.907 -1.961 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.353 -5.032 -0.013 1.00 10.00 C ATOM 0 H LEU A 46 2.925 -8.035 -2.609 1.00 10.00 H new ATOM 0 HA LEU A 46 1.136 -6.567 -0.957 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.855 -5.744 -3.329 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.046 -4.631 -2.243 1.00 10.00 H new ATOM 0 HG LEU A 46 3.986 -6.714 -1.200 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.739 -4.949 -1.281 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.162 -5.360 -2.914 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.603 -3.867 -2.122 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.215 -5.075 0.653 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.068 -3.992 -0.170 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.520 -5.573 0.436 1.00 10.00 H new ATOM 739 N ARG A 47 0.386 -6.843 -4.187 1.00 10.00 N ATOM 740 CA ARG A 47 -0.600 -6.486 -5.196 1.00 10.00 C ATOM 741 C ARG A 47 -1.931 -7.208 -5.009 1.00 10.00 C ATOM 742 O ARG A 47 -2.990 -6.625 -5.223 1.00 10.00 O ATOM 743 CB ARG A 47 -0.026 -6.629 -6.604 1.00 10.00 C ATOM 744 CG ARG A 47 0.974 -5.493 -6.868 1.00 10.00 C ATOM 745 CD ARG A 47 1.198 -5.187 -8.354 1.00 10.00 C ATOM 746 NE ARG A 47 1.457 -6.399 -9.140 1.00 10.00 N ATOM 747 CZ ARG A 47 0.560 -7.172 -9.765 1.00 10.00 C ATOM 748 NH1 ARG A 47 -0.703 -6.749 -9.942 1.00 10.00 N ATOM 749 NH2 ARG A 47 0.930 -8.378 -10.204 1.00 10.00 N ATOM 0 H ARG A 47 1.188 -7.358 -4.550 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.835 -5.431 -5.058 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.468 -7.595 -6.710 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.829 -6.599 -7.340 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.620 -4.589 -6.372 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.930 -5.753 -6.414 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.321 -4.678 -8.754 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.039 -4.502 -8.459 1.00 10.00 H new ATOM 0 HE ARG A 47 2.433 -6.685 -9.219 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.986 -5.831 -9.599 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.379 -7.346 -10.419 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.887 -8.701 -10.062 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.256 -8.976 -10.682 1.00 10.00 H new ATOM 763 N GLU A 48 -1.859 -8.447 -4.538 1.00 10.00 N ATOM 764 CA GLU A 48 -2.946 -9.245 -3.987 1.00 10.00 C ATOM 765 C GLU A 48 -3.833 -8.443 -3.015 1.00 10.00 C ATOM 766 O GLU A 48 -5.010 -8.746 -2.837 1.00 10.00 O ATOM 767 CB GLU A 48 -2.276 -10.435 -3.286 1.00 10.00 C ATOM 768 CG GLU A 48 -3.228 -11.455 -2.641 1.00 10.00 C ATOM 769 CD GLU A 48 -4.100 -12.198 -3.650 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.701 -12.248 -4.834 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.141 -12.729 -3.208 1.00 10.00 O ATOM 0 H GLU A 48 -0.975 -8.956 -4.531 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.622 -9.571 -4.777 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.653 -10.957 -4.013 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.610 -10.050 -2.514 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.642 -12.180 -2.076 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.871 -10.939 -1.928 1.00 10.00 H new ATOM 778 N GLN A 49 -3.267 -7.454 -2.318 1.00 10.00 N ATOM 779 CA GLN A 49 -3.982 -6.585 -1.387 1.00 10.00 C ATOM 780 C GLN A 49 -4.173 -5.173 -1.950 1.00 10.00 C ATOM 781 O GLN A 49 -5.121 -4.472 -1.599 1.00 10.00 O ATOM 782 CB GLN A 49 -3.179 -6.524 -0.087 1.00 10.00 C ATOM 783 CG GLN A 49 -2.868 -7.901 0.519 1.00 10.00 C ATOM 784 CD GLN A 49 -4.094 -8.666 1.013 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.256 -8.840 2.218 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.943 -9.168 0.119 1.00 10.00 N ATOM 0 H GLN A 49 -2.274 -7.232 -2.389 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.977 -6.995 -1.214 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.241 -6.001 -0.275 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.733 -5.934 0.643 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.355 -8.506 -0.229 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.177 -7.770 1.352 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.788 -9.010 -0.877 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.749 -9.710 0.430 1.00 10.00 H new ATOM 795 N ALA A 50 -3.235 -4.743 -2.791 1.00 10.00 N ATOM 796 CA ALA A 50 -3.223 -3.420 -3.391 1.00 10.00 C ATOM 797 C ALA A 50 -4.479 -3.214 -4.230 1.00 10.00 C ATOM 798 O ALA A 50 -5.013 -4.140 -4.840 1.00 10.00 O ATOM 799 CB ALA A 50 -1.968 -3.191 -4.232 1.00 10.00 C ATOM 0 H ALA A 50 -2.446 -5.322 -3.078 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.210 -2.687 -2.585 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.997 -2.190 -4.664 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.084 -3.289 -3.601 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.926 -3.930 -5.032 1.00 10.00 H new ATOM 805 N GLY A 51 -4.963 -1.979 -4.242 1.00 10.00 N ATOM 806 CA GLY A 51 -6.301 -1.664 -4.651 1.00 10.00 C ATOM 807 C GLY A 51 -7.277 -2.356 -3.731 1.00 10.00 C ATOM 808 O GLY A 51 -8.268 -2.952 -4.142 1.00 10.00 O ATOM 0 H GLY A 51 -4.418 -1.164 -3.961 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.458 -0.586 -4.623 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.464 -1.983 -5.680 1.00 10.00 H new ATOM 812 N GLY A 52 -6.992 -2.169 -2.444 1.00 10.00 N ATOM 813 CA GLY A 52 -7.858 -2.519 -1.366 1.00 10.00 C ATOM 814 C GLY A 52 -7.078 -2.247 -0.093 1.00 10.00 C ATOM 815 O GLY A 52 -6.110 -1.478 -0.069 1.00 10.00 O ATOM 0 H GLY A 52 -6.114 -1.753 -2.132 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.774 -1.929 -1.395 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.152 -3.567 -1.427 1.00 10.00 H new ATOM 819 N ASP A 53 -7.540 -2.894 0.960 1.00 10.00 N ATOM 820 CA ASP A 53 -6.964 -2.797 2.286 1.00 10.00 C ATOM 821 C ASP A 53 -5.783 -3.746 2.433 1.00 10.00 C ATOM 822 O ASP A 53 -5.819 -4.867 1.928 1.00 10.00 O ATOM 823 CB ASP A 53 -8.021 -3.075 3.362 1.00 10.00 C ATOM 824 CG ASP A 53 -7.370 -3.040 4.737 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.611 -2.076 4.971 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.569 -3.991 5.514 1.00 10.00 O ATOM 0 H ASP A 53 -8.346 -3.517 0.915 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.601 -1.778 2.423 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.816 -2.332 3.306 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.482 -4.048 3.191 1.00 10.00 H new ATOM 831 N ALA A 54 -4.755 -3.301 3.159 1.00 10.00 N ATOM 832 CA ALA A 54 -3.738 -4.193 3.693 1.00 10.00 C ATOM 833 C ALA A 54 -3.365 -3.821 5.132 1.00 10.00 C ATOM 834 O ALA A 54 -2.300 -4.226 5.603 1.00 10.00 O ATOM 835 CB ALA A 54 -2.519 -4.193 2.769 1.00 10.00 C ATOM 0 H ALA A 54 -4.609 -2.318 3.389 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.141 -5.205 3.731 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.758 -4.862 3.171 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.815 -4.534 1.777 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.115 -3.183 2.700 1.00 10.00 H new ATOM 841 N THR A 55 -4.215 -3.066 5.837 1.00 10.00 N ATOM 842 CA THR A 55 -3.911 -2.576 7.171 1.00 10.00 C ATOM 843 C THR A 55 -3.664 -3.751 8.116 1.00 10.00 C ATOM 844 O THR A 55 -2.587 -3.863 8.703 1.00 10.00 O ATOM 845 CB THR A 55 -5.043 -1.674 7.702 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.386 -0.654 6.787 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.584 -0.983 8.985 1.00 10.00 C ATOM 0 H THR A 55 -5.132 -2.782 5.492 1.00 10.00 H new ATOM 0 HA THR A 55 -3.005 -1.972 7.119 1.00 10.00 H new ATOM 0 HB THR A 55 -5.907 -2.317 7.868 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.115 -0.964 6.210 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.384 -0.345 9.361 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.337 -1.735 9.735 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.703 -0.376 8.776 1.00 10.00 H new ATOM 855 N GLU A 56 -4.664 -4.629 8.257 1.00 10.00 N ATOM 856 CA GLU A 56 -4.603 -5.750 9.163 1.00 10.00 C ATOM 857 C GLU A 56 -3.394 -6.586 8.791 1.00 10.00 C ATOM 858 O GLU A 56 -2.564 -6.845 9.641 1.00 10.00 O ATOM 859 CB GLU A 56 -5.906 -6.555 9.092 1.00 10.00 C ATOM 860 CG GLU A 56 -7.119 -5.694 9.478 1.00 10.00 C ATOM 861 CD GLU A 56 -8.390 -6.522 9.625 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.447 -7.604 9.001 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.282 -6.056 10.366 1.00 10.00 O ATOM 0 H GLU A 56 -5.539 -4.569 7.736 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.497 -5.414 10.195 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.041 -6.944 8.083 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.841 -7.415 9.759 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.913 -5.179 10.416 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.273 -4.926 8.720 1.00 10.00 H new ATOM 870 N ASN A 57 -3.266 -6.942 7.511 1.00 10.00 N ATOM 871 CA ASN A 57 -2.174 -7.758 6.995 1.00 10.00 C ATOM 872 C ASN A 57 -0.793 -7.194 7.382 1.00 10.00 C ATOM 873 O ASN A 57 0.058 -7.902 7.920 1.00 10.00 O ATOM 874 CB ASN A 57 -2.353 -7.903 5.476 1.00 10.00 C ATOM 875 CG ASN A 57 -1.595 -9.101 4.919 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.603 -9.538 5.483 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.061 -9.662 3.806 1.00 10.00 N ATOM 0 H ASN A 57 -3.934 -6.663 6.793 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.210 -8.747 7.451 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.413 -8.007 5.245 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.007 -6.995 4.983 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.588 -10.473 3.407 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.891 -9.281 3.352 1.00 10.00 H new ATOM 884 N PHE A 58 -0.571 -5.895 7.149 1.00 10.00 N ATOM 885 CA PHE A 58 0.670 -5.214 7.521 1.00 10.00 C ATOM 886 C PHE A 58 1.021 -5.451 8.999 1.00 10.00 C ATOM 887 O PHE A 58 2.159 -5.799 9.337 1.00 10.00 O ATOM 888 CB PHE A 58 0.522 -3.717 7.215 1.00 10.00 C ATOM 889 CG PHE A 58 1.766 -2.876 7.433 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.822 -2.934 6.506 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.808 -1.931 8.476 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.881 -2.012 6.579 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.873 -1.016 8.557 1.00 10.00 C ATOM 894 CZ PHE A 58 3.901 -1.043 7.598 1.00 10.00 C ATOM 0 H PHE A 58 -1.252 -5.286 6.695 1.00 10.00 H new ATOM 0 HA PHE A 58 1.494 -5.623 6.937 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.208 -3.606 6.177 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.279 -3.315 7.835 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.819 -3.690 5.735 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.021 -1.909 9.215 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.679 -2.048 5.852 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.901 -0.291 9.357 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.704 -0.322 7.644 1.00 10.00 H new ATOM 904 N GLU A 59 0.029 -5.276 9.871 1.00 10.00 N ATOM 905 CA GLU A 59 0.168 -5.420 11.314 1.00 10.00 C ATOM 906 C GLU A 59 0.234 -6.880 11.767 1.00 10.00 C ATOM 907 O GLU A 59 0.843 -7.193 12.787 1.00 10.00 O ATOM 908 CB GLU A 59 -1.034 -4.744 11.966 1.00 10.00 C ATOM 909 CG GLU A 59 -1.075 -3.234 11.695 1.00 10.00 C ATOM 910 CD GLU A 59 0.098 -2.495 12.319 1.00 10.00 C ATOM 911 OE1 GLU A 59 1.194 -2.476 11.718 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.070 -1.930 13.419 1.00 10.00 O ATOM 0 H GLU A 59 -0.916 -5.024 9.583 1.00 10.00 H new ATOM 0 HA GLU A 59 1.109 -4.958 11.613 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.951 -5.202 11.594 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.005 -4.917 13.042 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.077 -3.062 10.619 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.007 -2.824 12.085 1.00 10.00 H new ATOM 919 N ASP A 60 -0.415 -7.756 11.011 1.00 10.00 N ATOM 920 CA ASP A 60 -0.488 -9.190 11.232 1.00 10.00 C ATOM 921 C ASP A 60 0.920 -9.761 11.084 1.00 10.00 C ATOM 922 O ASP A 60 1.408 -10.495 11.941 1.00 10.00 O ATOM 923 CB ASP A 60 -1.468 -9.800 10.219 1.00 10.00 C ATOM 924 CG ASP A 60 -1.706 -11.268 10.535 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.567 -11.531 11.401 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.019 -12.100 9.904 1.00 10.00 O ATOM 0 H ASP A 60 -0.933 -7.466 10.181 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.856 -9.427 12.230 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.413 -9.257 10.245 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.069 -9.698 9.210 1.00 10.00 H new ATOM 931 N HIS A 61 1.606 -9.324 10.024 1.00 10.00 N ATOM 932 CA HIS A 61 3.044 -9.511 9.888 1.00 10.00 C ATOM 933 C HIS A 61 3.774 -8.762 11.008 1.00 10.00 C ATOM 934 O HIS A 61 4.683 -9.307 11.630 1.00 10.00 O ATOM 935 CB HIS A 61 3.507 -9.034 8.508 1.00 10.00 C ATOM 936 CG HIS A 61 3.112 -9.962 7.389 1.00 10.00 C ATOM 937 ND1 HIS A 61 3.430 -11.298 7.307 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.434 -9.626 6.249 1.00 10.00 C ATOM 939 CE1 HIS A 61 2.946 -11.755 6.140 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.355 -10.768 5.447 1.00 10.00 N ATOM 0 H HIS A 61 1.177 -8.832 9.240 1.00 10.00 H new ATOM 0 HA HIS A 61 3.282 -10.571 9.976 1.00 10.00 H new ATOM 0 HB2 HIS A 61 3.089 -8.046 8.315 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.592 -8.926 8.514 1.00 10.00 H new ATOM 0 HD2 HIS A 61 2.032 -8.652 6.011 1.00 10.00 H new ATOM 0 HE1 HIS A 61 3.022 -12.779 5.804 1.00 10.00 H new ATOM 0 HE2 HIS A 61 1.933 -10.838 4.521 1.00 10.00 H new ATOM 948 N GLY A 62 3.379 -7.512 11.259 1.00 10.00 N ATOM 949 CA GLY A 62 3.911 -6.713 12.357 1.00 10.00 C ATOM 950 C GLY A 62 5.120 -5.924 11.882 1.00 10.00 C ATOM 951 O GLY A 62 6.175 -5.932 12.512 1.00 10.00 O ATOM 0 H GLY A 62 2.677 -7.026 10.701 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.145 -6.033 12.728 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.192 -7.361 13.187 1.00 10.00 H new ATOM 955 N HIS A 63 4.949 -5.235 10.752 1.00 10.00 N ATOM 956 CA HIS A 63 6.022 -4.518 10.087 1.00 10.00 C ATOM 957 C HIS A 63 6.690 -3.493 11.007 1.00 10.00 C ATOM 958 O HIS A 63 6.020 -2.632 11.587 1.00 10.00 O ATOM 959 CB HIS A 63 5.463 -3.858 8.834 1.00 10.00 C ATOM 960 CG HIS A 63 5.331 -4.834 7.701 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.329 -5.758 7.531 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.154 -4.905 6.614 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.526 -6.344 6.337 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.620 -5.846 5.734 1.00 10.00 N ATOM 0 H HIS A 63 4.051 -5.163 10.274 1.00 10.00 H new ATOM 0 HA HIS A 63 6.802 -5.228 9.812 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.488 -3.425 9.056 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.115 -3.038 8.533 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.576 -5.962 8.188 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.058 -4.334 6.462 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.891 -7.111 5.919 1.00 10.00 H new ATOM 972 N SER A 64 8.016 -3.604 11.124 1.00 10.00 N ATOM 973 CA SER A 64 8.851 -2.854 12.047 1.00 10.00 C ATOM 974 C SER A 64 8.853 -1.349 11.774 1.00 10.00 C ATOM 975 O SER A 64 8.398 -0.886 10.729 1.00 10.00 O ATOM 976 CB SER A 64 10.273 -3.421 11.957 1.00 10.00 C ATOM 977 OG SER A 64 10.207 -4.830 11.827 1.00 10.00 O ATOM 0 H SER A 64 8.555 -4.251 10.548 1.00 10.00 H new ATOM 0 HA SER A 64 8.443 -2.967 13.052 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.796 -2.989 11.103 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.841 -3.153 12.848 1.00 10.00 H new ATOM 0 HG SER A 64 11.114 -5.196 11.767 1.00 10.00 H new ATOM 983 N THR A 65 9.421 -0.601 12.723 1.00 10.00 N ATOM 984 CA THR A 65 9.681 0.832 12.707 1.00 10.00 C ATOM 985 C THR A 65 10.082 1.357 11.336 1.00 10.00 C ATOM 986 O THR A 65 9.588 2.384 10.893 1.00 10.00 O ATOM 987 CB THR A 65 10.823 1.075 13.710 1.00 10.00 C ATOM 988 OG1 THR A 65 11.682 -0.060 13.755 1.00 10.00 O ATOM 989 CG2 THR A 65 10.246 1.265 15.116 1.00 10.00 C ATOM 0 H THR A 65 9.736 -1.024 13.596 1.00 10.00 H new ATOM 0 HA THR A 65 8.767 1.364 12.970 1.00 10.00 H new ATOM 0 HB THR A 65 11.373 1.961 13.392 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.306 -0.028 13.000 1.00 10.00 H new ATOM 0 HG21 THR A 65 11.058 1.437 15.822 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.574 2.123 15.121 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.695 0.371 15.407 1.00 10.00 H new ATOM 997 N ASP A 66 10.998 0.661 10.687 1.00 10.00 N ATOM 998 CA ASP A 66 11.660 1.068 9.468 1.00 10.00 C ATOM 999 C ASP A 66 10.640 1.072 8.328 1.00 10.00 C ATOM 1000 O ASP A 66 10.468 2.057 7.610 1.00 10.00 O ATOM 1001 CB ASP A 66 12.820 0.082 9.240 1.00 10.00 C ATOM 1002 CG ASP A 66 13.695 -0.101 10.486 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.123 -0.516 11.527 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.903 0.190 10.383 1.00 10.00 O ATOM 0 H ASP A 66 11.314 -0.251 11.016 1.00 10.00 H new ATOM 0 HA ASP A 66 12.068 2.077 9.523 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.416 -0.885 8.940 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.438 0.439 8.416 1.00 10.00 H new ATOM 1009 N ALA A 67 9.913 -0.042 8.206 1.00 10.00 N ATOM 1010 CA ALA A 67 8.851 -0.230 7.236 1.00 10.00 C ATOM 1011 C ALA A 67 7.707 0.742 7.524 1.00 10.00 C ATOM 1012 O ALA A 67 7.130 1.322 6.612 1.00 10.00 O ATOM 1013 CB ALA A 67 8.369 -1.681 7.283 1.00 10.00 C ATOM 0 H ALA A 67 10.058 -0.858 8.801 1.00 10.00 H new ATOM 0 HA ALA A 67 9.225 -0.023 6.233 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.571 -1.823 6.554 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.198 -2.348 7.047 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.994 -1.908 8.281 1.00 10.00 H new ATOM 1019 N ARG A 68 7.394 0.920 8.808 1.00 10.00 N ATOM 1020 CA ARG A 68 6.482 1.933 9.321 1.00 10.00 C ATOM 1021 C ARG A 68 6.863 3.324 8.792 1.00 10.00 C ATOM 1022 O ARG A 68 6.064 3.962 8.110 1.00 10.00 O ATOM 1023 CB ARG A 68 6.472 1.833 10.858 1.00 10.00 C ATOM 1024 CG ARG A 68 5.315 0.958 11.351 1.00 10.00 C ATOM 1025 CD ARG A 68 5.569 0.503 12.796 1.00 10.00 C ATOM 1026 NE ARG A 68 4.317 0.238 13.520 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.373 -0.659 13.190 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.599 -1.595 12.267 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.189 -0.588 13.800 1.00 10.00 N ATOM 0 H ARG A 68 7.787 0.336 9.546 1.00 10.00 H new ATOM 0 HA ARG A 68 5.465 1.763 8.968 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.418 1.417 11.204 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.386 2.830 11.289 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.380 1.515 11.297 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.206 0.089 10.703 1.00 10.00 H new ATOM 0 HD2 ARG A 68 6.181 -0.399 12.789 1.00 10.00 H new ATOM 0 HD3 ARG A 68 6.137 1.270 13.323 1.00 10.00 H new ATOM 0 HE ARG A 68 4.148 0.792 14.359 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.503 -1.639 11.796 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.868 -2.266 12.032 1.00 10.00 H new ATOM 0 HH21 ARG A 68 2.018 0.135 14.499 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.455 -1.257 13.568 1.00 10.00 H new ATOM 1043 N GLU A 69 8.079 3.798 9.061 1.00 10.00 N ATOM 1044 CA GLU A 69 8.584 5.072 8.557 1.00 10.00 C ATOM 1045 C GLU A 69 8.430 5.146 7.032 1.00 10.00 C ATOM 1046 O GLU A 69 7.920 6.126 6.477 1.00 10.00 O ATOM 1047 CB GLU A 69 10.046 5.254 9.010 1.00 10.00 C ATOM 1048 CG GLU A 69 10.403 6.721 9.290 1.00 10.00 C ATOM 1049 CD GLU A 69 9.602 7.308 10.444 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.277 6.569 11.403 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.184 8.483 10.349 1.00 10.00 O ATOM 0 H GLU A 69 8.750 3.299 9.644 1.00 10.00 H new ATOM 0 HA GLU A 69 7.999 5.894 8.970 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.219 4.664 9.910 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.712 4.863 8.240 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.467 6.796 9.516 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.226 7.312 8.392 1.00 10.00 H new ATOM 1058 N LEU A 70 8.824 4.072 6.345 1.00 10.00 N ATOM 1059 CA LEU A 70 8.618 3.977 4.907 1.00 10.00 C ATOM 1060 C LEU A 70 7.143 4.179 4.537 1.00 10.00 C ATOM 1061 O LEU A 70 6.827 4.893 3.591 1.00 10.00 O ATOM 1062 CB LEU A 70 9.153 2.645 4.348 1.00 10.00 C ATOM 1063 CG LEU A 70 10.340 2.789 3.382 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.184 3.964 2.406 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.647 2.923 4.168 1.00 10.00 C ATOM 0 H LEU A 70 9.284 3.263 6.762 1.00 10.00 H new ATOM 0 HA LEU A 70 9.188 4.782 4.444 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.454 2.011 5.182 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.342 2.130 3.833 1.00 10.00 H new ATOM 0 HG LEU A 70 10.364 1.882 2.777 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.054 4.011 1.752 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.286 3.821 1.805 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.101 4.895 2.967 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.481 3.024 3.473 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.598 3.804 4.807 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.794 2.036 4.784 1.00 10.00 H new ATOM 1077 N SER A 71 6.216 3.589 5.290 1.00 10.00 N ATOM 1078 CA SER A 71 4.801 3.698 4.986 1.00 10.00 C ATOM 1079 C SER A 71 4.356 5.156 5.066 1.00 10.00 C ATOM 1080 O SER A 71 3.625 5.615 4.192 1.00 10.00 O ATOM 1081 CB SER A 71 3.986 2.704 5.833 1.00 10.00 C ATOM 1082 OG SER A 71 3.649 3.212 7.105 1.00 10.00 O ATOM 0 H SER A 71 6.427 3.030 6.117 1.00 10.00 H new ATOM 0 HA SER A 71 4.606 3.401 3.956 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.073 2.443 5.298 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.558 1.784 5.955 1.00 10.00 H new ATOM 0 HG SER A 71 4.461 3.514 7.562 1.00 10.00 H new ATOM 1088 N LYS A 72 4.863 5.912 6.046 1.00 10.00 N ATOM 1089 CA LYS A 72 4.579 7.342 6.114 1.00 10.00 C ATOM 1090 C LYS A 72 4.992 7.987 4.794 1.00 10.00 C ATOM 1091 O LYS A 72 4.212 8.669 4.137 1.00 10.00 O ATOM 1092 CB LYS A 72 5.332 8.023 7.264 1.00 10.00 C ATOM 1093 CG LYS A 72 5.170 7.312 8.608 1.00 10.00 C ATOM 1094 CD LYS A 72 5.940 8.108 9.669 1.00 10.00 C ATOM 1095 CE LYS A 72 6.093 7.329 10.982 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.146 7.917 11.834 1.00 10.00 N ATOM 0 H LYS A 72 5.464 5.560 6.792 1.00 10.00 H new ATOM 0 HA LYS A 72 3.512 7.468 6.295 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.392 8.073 7.014 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.979 9.050 7.361 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.116 7.242 8.876 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.551 6.293 8.547 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.927 8.364 9.283 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.421 9.046 9.864 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.145 7.328 11.520 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.337 6.289 10.764 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.797 7.169 12.148 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.674 8.630 11.291 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.710 8.367 12.664 1.00 10.00 H new ATOM 1110 N THR A 73 6.236 7.709 4.411 1.00 10.00 N ATOM 1111 CA THR A 73 6.861 8.187 3.185 1.00 10.00 C ATOM 1112 C THR A 73 5.990 7.854 1.964 1.00 10.00 C ATOM 1113 O THR A 73 5.870 8.663 1.048 1.00 10.00 O ATOM 1114 CB THR A 73 8.282 7.603 3.076 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.958 7.707 4.320 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.116 8.327 2.017 1.00 10.00 C ATOM 0 H THR A 73 6.857 7.123 4.968 1.00 10.00 H new ATOM 0 HA THR A 73 6.947 9.273 3.213 1.00 10.00 H new ATOM 0 HB THR A 73 8.171 6.558 2.788 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.625 7.018 4.932 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.111 7.884 1.972 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.632 8.231 1.045 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.200 9.382 2.278 1.00 10.00 H new ATOM 1124 N PHE A 74 5.375 6.669 1.955 1.00 10.00 N ATOM 1125 CA PHE A 74 4.530 6.200 0.865 1.00 10.00 C ATOM 1126 C PHE A 74 3.127 6.804 0.857 1.00 10.00 C ATOM 1127 O PHE A 74 2.399 6.583 -0.113 1.00 10.00 O ATOM 1128 CB PHE A 74 4.395 4.681 0.947 1.00 10.00 C ATOM 1129 CG PHE A 74 5.677 3.879 0.870 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.748 4.276 0.044 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.708 2.618 1.484 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.887 3.460 -0.068 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.793 1.759 1.275 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.927 2.225 0.599 1.00 10.00 C ATOM 0 H PHE A 74 5.455 6.000 2.721 1.00 10.00 H new ATOM 0 HA PHE A 74 5.022 6.520 -0.054 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.895 4.434 1.883 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.740 4.354 0.140 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.693 5.206 -0.502 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.892 2.309 2.120 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.728 3.782 -0.665 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.756 0.741 1.634 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.832 1.635 0.591 1.00 10.00 H new ATOM 1144 N ILE A 75 2.703 7.498 1.919 1.00 10.00 N ATOM 1145 CA ILE A 75 1.375 8.121 1.904 1.00 10.00 C ATOM 1146 C ILE A 75 1.242 9.098 0.733 1.00 10.00 C ATOM 1147 O ILE A 75 1.967 10.086 0.662 1.00 10.00 O ATOM 1148 CB ILE A 75 1.014 8.793 3.241 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.743 7.681 4.257 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.244 9.672 3.126 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.749 8.173 5.706 1.00 10.00 C ATOM 0 H ILE A 75 3.240 7.640 2.774 1.00 10.00 H new ATOM 0 HA ILE A 75 0.653 7.317 1.763 1.00 10.00 H new ATOM 0 HB ILE A 75 1.840 9.436 3.545 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.223 7.226 4.039 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.496 6.901 4.142 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.461 10.126 4.093 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.074 10.456 2.388 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.090 9.058 2.816 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.551 7.336 6.375 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.723 8.602 5.940 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.023 8.932 5.836 1.00 10.00 H new ATOM 1163 N ILE A 76 0.269 8.846 -0.148 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.055 9.711 -1.281 1.00 10.00 C ATOM 1165 C ILE A 76 -1.413 10.399 -1.127 1.00 10.00 C ATOM 1166 O ILE A 76 -1.724 11.310 -1.895 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.071 8.892 -2.582 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.989 7.660 -2.462 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.348 8.494 -3.004 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.768 7.433 -3.755 1.00 10.00 C ATOM 0 H ILE A 76 -0.325 8.019 -0.090 1.00 10.00 H new ATOM 0 HA ILE A 76 0.716 10.481 -1.315 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.482 9.528 -3.366 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.392 6.777 -2.233 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.684 7.799 -1.634 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.304 7.916 -3.927 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.945 9.392 -3.166 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.805 7.891 -2.220 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.409 6.558 -3.645 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.382 8.308 -3.968 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -1.070 7.271 -4.577 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.261 9.908 -0.219 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.705 10.012 -0.404 1.00 10.00 C ATOM 1184 C GLY A 77 -4.420 9.486 0.812 1.00 10.00 C ATOM 1185 O GLY A 77 -3.775 9.031 1.761 1.00 10.00 O ATOM 0 H GLY A 77 -1.974 9.440 0.641 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.983 11.051 -0.578 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.008 9.448 -1.286 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.751 9.524 0.762 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.585 8.958 1.783 1.00 10.00 C ATOM 1191 C GLU A 78 -7.726 8.232 1.102 1.00 10.00 C ATOM 1192 O GLU A 78 -8.075 8.579 -0.018 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.138 10.098 2.636 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.095 11.105 3.140 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.596 12.200 2.201 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.202 12.475 1.141 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.559 12.764 2.618 1.00 10.00 O ATOM 0 H GLU A 78 -6.271 9.956 -0.002 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.026 8.266 2.414 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.886 10.636 2.054 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.651 9.670 3.497 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.511 11.594 4.021 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.226 10.537 3.472 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.293 7.228 1.757 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.192 6.281 1.110 1.00 10.00 C ATOM 1206 C LEU A 79 -10.632 6.759 1.272 1.00 10.00 C ATOM 1207 O LEU A 79 -11.078 7.032 2.384 1.00 10.00 O ATOM 1208 CB LEU A 79 -8.813 4.860 1.569 1.00 10.00 C ATOM 1209 CG LEU A 79 -9.812 3.958 2.291 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.439 4.513 3.563 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -10.876 3.433 1.344 1.00 10.00 C ATOM 0 H LEU A 79 -8.143 7.047 2.750 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.089 6.229 0.026 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.482 4.319 0.682 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -7.947 4.960 2.223 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.192 3.134 2.644 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.128 3.778 3.979 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -9.656 4.729 4.290 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.982 5.429 3.331 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.569 2.795 1.893 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.421 4.271 0.909 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.403 2.856 0.550 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.312 7.039 0.156 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.436 7.956 0.210 1.00 10.00 C ATOM 1225 C HIS A 80 -13.590 7.432 1.057 1.00 10.00 C ATOM 1226 O HIS A 80 -14.064 6.340 0.780 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.928 8.315 -1.184 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.973 9.393 -1.128 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.334 9.204 -1.028 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.703 10.681 -0.763 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.867 10.368 -0.614 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.913 11.297 -0.439 1.00 10.00 N ATOM 0 H HIS A 80 -11.107 6.653 -0.766 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.063 8.858 0.695 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.089 8.649 -1.794 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.341 7.429 -1.667 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.727 11.141 -0.731 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.921 10.533 -0.445 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -15.046 12.260 -0.131 1.00 10.00 H new