USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 660 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 6 THR OG1 : rot 180:sc= 0.945 USER MOD Set 1.2: A 29 SER OG : rot -163:sc= 0.685 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 15 GLN : amide:sc= -1.41! K(o=-1.4!,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.713 USER MOD Single : A 20 GLN : amide:sc= 0.0878 K(o=0.088,f=-0.71) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.84! C(o=-2.8!,f=-5.6!) USER MOD Single : A 26 CYS SG : rot 180:sc=-0.00322 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 46 GLN : amide:sc= -3.65! C(o=-3.6!,f=-5!) USER MOD Single : A 48 ASN : amide:sc= -0.472 K(o=-0.47,f=-7.2!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.366 K(o=-0.37,f=-5.3!) USER MOD Single : A 54 THR OG1 : rot -60:sc= 0.272 USER MOD Single : A 57 GLN : amide:sc= -2.72! K(o=-2.7!,f=0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 61 HIS : no HD1:sc= -0.822 X(o=-0.82,f=-0.36) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.105 (180deg=-0.813) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-0.92) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.206! USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -115:sc= -1.6! USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 58.958 -10.890 14.552 1.00 0.00 N ATOM 45 CA GLU A 4 60.370 -10.918 14.167 1.00 0.00 C ATOM 46 C GLU A 4 60.667 -9.771 13.199 1.00 0.00 C ATOM 47 O GLU A 4 59.763 -9.031 12.810 1.00 0.00 O ATOM 48 CB GLU A 4 60.695 -12.278 13.516 1.00 0.00 C ATOM 49 CG GLU A 4 62.195 -12.584 13.605 1.00 0.00 C ATOM 50 CD GLU A 4 62.460 -14.002 13.114 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.548 -14.600 12.568 1.00 0.00 O ATOM 52 OE2 GLU A 4 63.574 -14.470 13.285 1.00 0.00 O1- ATOM 0 HA GLU A 4 60.995 -10.792 15.051 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.129 -13.067 14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 4 60.383 -12.269 12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.758 -11.870 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.538 -12.475 14.634 1.00 0.00 H new ATOM 59 N VAL A 5 61.931 -9.622 12.816 1.00 0.00 N ATOM 60 CA VAL A 5 62.326 -8.555 11.900 1.00 0.00 C ATOM 61 C VAL A 5 61.463 -8.584 10.647 1.00 0.00 C ATOM 62 O VAL A 5 61.199 -9.653 10.095 1.00 0.00 O ATOM 63 CB VAL A 5 63.791 -8.745 11.494 1.00 0.00 C ATOM 64 CG1 VAL A 5 63.933 -10.003 10.628 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.256 -7.521 10.703 1.00 0.00 C ATOM 0 H VAL A 5 62.696 -10.222 13.123 1.00 0.00 H new ATOM 0 HA VAL A 5 62.196 -7.598 12.405 1.00 0.00 H new ATOM 0 HB VAL A 5 64.404 -8.859 12.388 1.00 0.00 H new ATOM 0 HG11 VAL A 5 64.977 -10.132 10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.601 -10.874 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.322 -9.898 9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.298 -7.651 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.641 -7.409 9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.161 -6.630 11.323 1.00 0.00 H new ATOM 75 N THR A 6 61.018 -7.406 10.199 1.00 0.00 N ATOM 76 CA THR A 6 60.173 -7.325 8.994 1.00 0.00 C ATOM 77 C THR A 6 60.892 -6.553 7.890 1.00 0.00 C ATOM 78 O THR A 6 61.329 -5.422 8.099 1.00 0.00 O ATOM 79 CB THR A 6 58.852 -6.624 9.329 1.00 0.00 C ATOM 80 OG1 THR A 6 58.344 -7.148 10.546 1.00 0.00 O ATOM 81 CG2 THR A 6 57.816 -6.857 8.213 1.00 0.00 C ATOM 0 H THR A 6 61.221 -6.509 10.640 1.00 0.00 H new ATOM 0 HA THR A 6 59.970 -8.337 8.645 1.00 0.00 H new ATOM 0 HB THR A 6 59.036 -5.554 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.500 -6.702 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.885 -6.351 8.469 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.198 -6.459 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.631 -7.926 8.106 1.00 0.00 H new ATOM 89 N ILE A 7 61.017 -7.175 6.714 1.00 0.00 N ATOM 90 CA ILE A 7 61.693 -6.538 5.579 1.00 0.00 C ATOM 91 C ILE A 7 60.694 -6.138 4.502 1.00 0.00 C ATOM 92 O ILE A 7 60.123 -6.986 3.817 1.00 0.00 O ATOM 93 CB ILE A 7 62.713 -7.499 4.970 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.693 -7.974 6.056 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.490 -6.785 3.858 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.014 -8.972 7.014 1.00 0.00 C ATOM 0 H ILE A 7 60.662 -8.112 6.523 1.00 0.00 H new ATOM 0 HA ILE A 7 62.195 -5.644 5.950 1.00 0.00 H new ATOM 0 HB ILE A 7 62.191 -8.361 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 7 64.559 -8.444 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 64.061 -7.116 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.217 -7.471 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.797 -6.454 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.009 -5.921 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 7 63.729 -9.292 7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 7 62.163 -8.491 7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 7 62.669 -9.839 6.451 1.00 0.00 H new ATOM 108 N LEU A 8 60.526 -4.833 4.344 1.00 0.00 N ATOM 109 CA LEU A 8 59.630 -4.264 3.335 1.00 0.00 C ATOM 110 C LEU A 8 60.444 -3.344 2.433 1.00 0.00 C ATOM 111 O LEU A 8 60.513 -2.139 2.660 1.00 0.00 O ATOM 112 CB LEU A 8 58.501 -3.471 4.027 1.00 0.00 C ATOM 113 CG LEU A 8 57.277 -4.371 4.264 1.00 0.00 C ATOM 114 CD1 LEU A 8 57.623 -5.493 5.255 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.129 -3.523 4.819 1.00 0.00 C ATOM 0 H LEU A 8 61.006 -4.134 4.911 1.00 0.00 H new ATOM 0 HA LEU A 8 59.178 -5.058 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.857 -3.074 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.218 -2.617 3.411 1.00 0.00 H new ATOM 0 HG LEU A 8 56.976 -4.824 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.747 -6.122 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 8 58.435 -6.097 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.933 -5.057 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.258 -4.156 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.436 -3.067 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.875 -2.741 4.103 1.00 0.00 H new ATOM 127 N GLU A 9 61.086 -3.931 1.429 1.00 0.00 N ATOM 128 CA GLU A 9 61.934 -3.171 0.510 1.00 0.00 C ATOM 129 C GLU A 9 61.321 -3.088 -0.895 1.00 0.00 C ATOM 130 O GLU A 9 61.476 -4.019 -1.685 1.00 0.00 O ATOM 131 CB GLU A 9 63.301 -3.864 0.424 1.00 0.00 C ATOM 132 CG GLU A 9 63.146 -5.326 -0.084 1.00 0.00 C ATOM 133 CD GLU A 9 63.660 -5.458 -1.518 1.00 0.00 C ATOM 134 OE1 GLU A 9 62.897 -5.898 -2.363 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.809 -5.120 -1.746 1.00 0.00 O1- ATOM 0 H GLU A 9 61.037 -4.930 1.229 1.00 0.00 H new ATOM 0 HA GLU A 9 62.032 -2.154 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.955 -3.308 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.777 -3.863 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 9 63.697 -6.003 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.098 -5.622 -0.039 1.00 0.00 H new ATOM 142 N PRO A 10 60.662 -1.999 -1.249 1.00 0.00 N ATOM 143 CA PRO A 10 60.081 -1.851 -2.612 1.00 0.00 C ATOM 144 C PRO A 10 61.194 -1.589 -3.635 1.00 0.00 C ATOM 145 O PRO A 10 60.955 -1.557 -4.841 1.00 0.00 O ATOM 146 CB PRO A 10 59.105 -0.650 -2.505 1.00 0.00 C ATOM 147 CG PRO A 10 59.176 -0.155 -1.080 1.00 0.00 C ATOM 148 CD PRO A 10 60.391 -0.815 -0.416 1.00 0.00 C ATOM 0 HA PRO A 10 59.564 -2.749 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.385 0.139 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.089 -0.954 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.270 0.931 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.262 -0.407 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.247 -0.141 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.178 -1.095 0.616 1.00 0.00 H new ATOM 156 N LEU A 11 62.405 -1.396 -3.119 1.00 0.00 N ATOM 157 CA LEU A 11 63.578 -1.124 -3.950 1.00 0.00 C ATOM 158 C LEU A 11 63.864 -2.282 -4.910 1.00 0.00 C ATOM 159 O LEU A 11 64.735 -3.110 -4.646 1.00 0.00 O ATOM 160 CB LEU A 11 64.799 -0.937 -3.042 1.00 0.00 C ATOM 161 CG LEU A 11 64.532 0.164 -2.004 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.673 0.181 -0.977 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.441 1.538 -2.692 1.00 0.00 C ATOM 0 H LEU A 11 62.602 -1.423 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 11 63.379 -0.225 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.030 -1.874 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.670 -0.676 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 11 63.586 -0.042 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.487 0.961 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.727 -0.786 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.617 0.380 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.252 2.308 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.380 1.752 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.627 1.529 -3.417 1.00 0.00 H new ATOM 175 N GLN A 12 63.143 -2.336 -6.029 1.00 0.00 N ATOM 176 CA GLN A 12 63.360 -3.401 -7.007 1.00 0.00 C ATOM 177 C GLN A 12 64.591 -3.094 -7.868 1.00 0.00 C ATOM 178 O GLN A 12 65.606 -3.786 -7.782 1.00 0.00 O ATOM 179 CB GLN A 12 62.123 -3.562 -7.896 1.00 0.00 C ATOM 180 CG GLN A 12 60.951 -4.093 -7.063 1.00 0.00 C ATOM 181 CD GLN A 12 59.703 -4.183 -7.935 1.00 0.00 C ATOM 182 OE1 GLN A 12 59.762 -3.894 -9.130 1.00 0.00 O ATOM 183 NE2 GLN A 12 58.571 -4.570 -7.410 1.00 0.00 N ATOM 0 H GLN A 12 62.415 -1.667 -6.279 1.00 0.00 H new ATOM 0 HA GLN A 12 63.533 -4.334 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.858 -2.604 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.339 -4.248 -8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 12 61.195 -5.075 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 12 60.767 -3.434 -6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 12 58.524 -4.809 -6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 12 57.735 -4.633 -7.991 1.00 0.00 H new ATOM 192 N ASP A 13 64.500 -2.049 -8.690 1.00 0.00 N ATOM 193 CA ASP A 13 65.620 -1.661 -9.553 1.00 0.00 C ATOM 194 C ASP A 13 65.328 -0.325 -10.235 1.00 0.00 C ATOM 195 O ASP A 13 64.275 -0.157 -10.848 1.00 0.00 O ATOM 196 CB ASP A 13 65.856 -2.736 -10.618 1.00 0.00 C ATOM 197 CG ASP A 13 67.119 -2.423 -11.418 1.00 0.00 C ATOM 198 OD1 ASP A 13 67.651 -1.337 -11.250 1.00 0.00 O ATOM 199 OD2 ASP A 13 67.539 -3.276 -12.182 1.00 0.00 O1- ATOM 0 H ASP A 13 63.672 -1.460 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 13 66.513 -1.558 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.951 -3.713 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 13 64.997 -2.789 -11.287 1.00 0.00 H new ATOM 204 N VAL A 14 66.262 0.628 -10.130 1.00 0.00 N ATOM 205 CA VAL A 14 66.074 1.952 -10.749 1.00 0.00 C ATOM 206 C VAL A 14 67.253 2.305 -11.654 1.00 0.00 C ATOM 207 O VAL A 14 68.326 1.710 -11.556 1.00 0.00 O ATOM 208 CB VAL A 14 65.916 3.031 -9.666 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.678 2.739 -8.817 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.146 3.047 -8.756 1.00 0.00 C ATOM 0 H VAL A 14 67.144 0.514 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 14 65.168 1.913 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 14 65.809 4.000 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.572 3.508 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.793 2.736 -9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.785 1.765 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.024 3.815 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.257 2.074 -8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.035 3.263 -9.349 1.00 0.00 H new ATOM 220 N GLN A 15 67.035 3.282 -12.541 1.00 0.00 N ATOM 221 CA GLN A 15 68.073 3.730 -13.478 1.00 0.00 C ATOM 222 C GLN A 15 68.430 5.192 -13.208 1.00 0.00 C ATOM 223 O GLN A 15 67.549 6.049 -13.126 1.00 0.00 O ATOM 224 CB GLN A 15 67.567 3.602 -14.915 1.00 0.00 C ATOM 225 CG GLN A 15 67.427 2.129 -15.297 1.00 0.00 C ATOM 226 CD GLN A 15 66.830 2.022 -16.697 1.00 0.00 C ATOM 227 OE1 GLN A 15 66.622 0.922 -17.208 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.544 3.114 -17.354 1.00 0.00 N ATOM 0 H GLN A 15 66.148 3.778 -12.630 1.00 0.00 H new ATOM 0 HA GLN A 15 68.957 3.107 -13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 15 66.605 4.104 -15.015 1.00 0.00 H new ATOM 0 HB3 GLN A 15 68.258 4.098 -15.597 1.00 0.00 H new ATOM 0 HG2 GLN A 15 68.401 1.640 -15.267 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.790 1.615 -14.578 1.00 0.00 H new ATOM 0 HE21 GLN A 15 66.717 4.025 -16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.148 3.056 -18.292 1.00 0.00 H new ATOM 237 N LEU A 16 69.727 5.466 -13.060 1.00 0.00 N ATOM 238 CA LEU A 16 70.205 6.826 -12.783 1.00 0.00 C ATOM 239 C LEU A 16 71.207 7.283 -13.844 1.00 0.00 C ATOM 240 O LEU A 16 72.178 6.582 -14.130 1.00 0.00 O ATOM 241 CB LEU A 16 70.886 6.842 -11.417 1.00 0.00 C ATOM 242 CG LEU A 16 69.919 6.341 -10.339 1.00 0.00 C ATOM 243 CD1 LEU A 16 70.671 6.260 -9.013 1.00 0.00 C ATOM 244 CD2 LEU A 16 68.728 7.306 -10.204 1.00 0.00 C ATOM 0 H LEU A 16 70.466 4.767 -13.127 1.00 0.00 H new ATOM 0 HA LEU A 16 69.352 7.505 -12.797 1.00 0.00 H new ATOM 0 HB2 LEU A 16 71.776 6.213 -11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 16 71.216 7.853 -11.179 1.00 0.00 H new ATOM 0 HG LEU A 16 69.537 5.358 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 16 69.997 5.905 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.508 5.569 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 16 71.045 7.248 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 16 68.048 6.939 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 16 69.091 8.295 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.200 7.368 -11.156 1.00 0.00 H new ATOM 256 N SER A 17 70.983 8.470 -14.409 1.00 0.00 N ATOM 257 CA SER A 17 71.892 9.008 -15.420 1.00 0.00 C ATOM 258 C SER A 17 73.158 9.547 -14.757 1.00 0.00 C ATOM 259 O SER A 17 73.190 9.756 -13.546 1.00 0.00 O ATOM 260 CB SER A 17 71.208 10.128 -16.211 1.00 0.00 C ATOM 261 OG SER A 17 71.283 11.340 -15.476 1.00 0.00 O ATOM 0 H SER A 17 70.189 9.071 -14.187 1.00 0.00 H new ATOM 0 HA SER A 17 72.161 8.204 -16.105 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.689 10.248 -17.182 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.166 9.870 -16.401 1.00 0.00 H new ATOM 0 HG SER A 17 70.847 12.057 -15.982 1.00 0.00 H new ATOM 267 N GLU A 18 74.198 9.765 -15.556 1.00 0.00 N ATOM 268 CA GLU A 18 75.459 10.277 -15.032 1.00 0.00 C ATOM 269 C GLU A 18 75.268 11.660 -14.412 1.00 0.00 C ATOM 270 O GLU A 18 74.732 12.563 -15.052 1.00 0.00 O ATOM 271 CB GLU A 18 76.488 10.368 -16.166 1.00 0.00 C ATOM 272 CG GLU A 18 77.825 10.887 -15.622 1.00 0.00 C ATOM 273 CD GLU A 18 78.863 10.928 -16.737 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.597 10.370 -17.790 1.00 0.00 O ATOM 275 OE2 GLU A 18 79.912 11.514 -16.521 1.00 0.00 O1- ATOM 0 H GLU A 18 74.193 9.596 -16.562 1.00 0.00 H new ATOM 0 HA GLU A 18 75.814 9.594 -14.261 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.627 9.387 -16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 18 76.122 11.033 -16.948 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.693 11.884 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 18 78.173 10.243 -14.814 1.00 0.00 H new ATOM 282 N GLY A 19 75.736 11.830 -13.175 1.00 0.00 N ATOM 283 CA GLY A 19 75.629 13.125 -12.505 1.00 0.00 C ATOM 284 C GLY A 19 74.221 13.383 -11.978 1.00 0.00 C ATOM 285 O GLY A 19 73.851 14.530 -11.730 1.00 0.00 O ATOM 0 H GLY A 19 76.186 11.099 -12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.338 13.165 -11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.906 13.917 -13.201 1.00 0.00 H new ATOM 289 N GLN A 20 73.433 12.321 -11.822 1.00 0.00 N ATOM 290 CA GLN A 20 72.053 12.452 -11.337 1.00 0.00 C ATOM 291 C GLN A 20 71.947 12.035 -9.875 1.00 0.00 C ATOM 292 O GLN A 20 72.532 11.035 -9.460 1.00 0.00 O ATOM 293 CB GLN A 20 71.132 11.571 -12.185 1.00 0.00 C ATOM 294 CG GLN A 20 69.669 11.767 -11.771 1.00 0.00 C ATOM 295 CD GLN A 20 69.209 13.184 -12.095 1.00 0.00 C ATOM 296 OE1 GLN A 20 69.559 13.731 -13.142 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.438 13.812 -11.251 1.00 0.00 N ATOM 0 H GLN A 20 73.721 11.363 -12.022 1.00 0.00 H new ATOM 0 HA GLN A 20 71.754 13.497 -11.421 1.00 0.00 H new ATOM 0 HB2 GLN A 20 71.254 11.817 -13.240 1.00 0.00 H new ATOM 0 HB3 GLN A 20 71.412 10.524 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.038 11.046 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.558 11.577 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.151 13.355 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 20 68.122 14.760 -11.457 1.00 0.00 H new ATOM 306 N ASP A 21 71.179 12.801 -9.106 1.00 0.00 N ATOM 307 CA ASP A 21 70.978 12.498 -7.694 1.00 0.00 C ATOM 308 C ASP A 21 69.891 11.440 -7.536 1.00 0.00 C ATOM 309 O ASP A 21 69.134 11.171 -8.467 1.00 0.00 O ATOM 310 CB ASP A 21 70.569 13.767 -6.943 1.00 0.00 C ATOM 311 CG ASP A 21 69.276 14.327 -7.526 1.00 0.00 C ATOM 312 OD1 ASP A 21 68.646 13.627 -8.302 1.00 0.00 O ATOM 313 OD2 ASP A 21 68.935 15.449 -7.191 1.00 0.00 O1- ATOM 0 H ASP A 21 70.688 13.632 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 21 71.911 12.117 -7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.434 13.545 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 71.362 14.512 -7.013 1.00 0.00 H new ATOM 318 N ALA A 22 69.813 10.844 -6.356 1.00 0.00 N ATOM 319 CA ALA A 22 68.807 9.822 -6.096 1.00 0.00 C ATOM 320 C ALA A 22 68.632 9.626 -4.598 1.00 0.00 C ATOM 321 O ALA A 22 69.420 10.130 -3.798 1.00 0.00 O ATOM 322 CB ALA A 22 69.202 8.496 -6.751 1.00 0.00 C ATOM 0 H ALA A 22 70.428 11.047 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 22 67.862 10.155 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 22 68.438 7.747 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 22 69.293 8.635 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 22 70.157 8.161 -6.347 1.00 0.00 H new ATOM 328 N SER A 23 67.593 8.893 -4.224 1.00 0.00 N ATOM 329 CA SER A 23 67.315 8.630 -2.816 1.00 0.00 C ATOM 330 C SER A 23 66.677 7.257 -2.660 1.00 0.00 C ATOM 331 O SER A 23 65.842 6.856 -3.471 1.00 0.00 O ATOM 332 CB SER A 23 66.370 9.698 -2.265 1.00 0.00 C ATOM 333 OG SER A 23 67.033 10.956 -2.261 1.00 0.00 O ATOM 0 H SER A 23 66.929 8.470 -4.873 1.00 0.00 H new ATOM 0 HA SER A 23 68.252 8.656 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 23 65.468 9.751 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.057 9.436 -1.254 1.00 0.00 H new ATOM 0 HG SER A 23 66.429 11.643 -1.910 1.00 0.00 H new ATOM 339 N PHE A 24 67.065 6.542 -1.608 1.00 0.00 N ATOM 340 CA PHE A 24 66.518 5.212 -1.335 1.00 0.00 C ATOM 341 C PHE A 24 65.666 5.280 -0.070 1.00 0.00 C ATOM 342 O PHE A 24 66.108 5.793 0.958 1.00 0.00 O ATOM 343 CB PHE A 24 67.668 4.192 -1.138 1.00 0.00 C ATOM 344 CG PHE A 24 68.002 3.459 -2.427 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.417 2.123 -2.357 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.901 4.091 -3.676 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.725 1.417 -3.523 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.212 3.381 -4.846 1.00 0.00 C ATOM 349 CZ PHE A 24 68.624 2.045 -4.767 1.00 0.00 C ATOM 0 H PHE A 24 67.757 6.860 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 24 65.907 4.889 -2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.555 4.711 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.385 3.470 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 24 68.499 1.636 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.585 5.122 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 24 69.041 0.386 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.133 3.865 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 24 68.864 1.500 -5.668 1.00 0.00 H new ATOM 359 N GLN A 25 64.444 4.760 -0.153 1.00 0.00 N ATOM 360 CA GLN A 25 63.530 4.764 0.990 1.00 0.00 C ATOM 361 C GLN A 25 62.917 3.385 1.177 1.00 0.00 C ATOM 362 O GLN A 25 62.361 2.810 0.241 1.00 0.00 O ATOM 363 CB GLN A 25 62.421 5.797 0.761 1.00 0.00 C ATOM 364 CG GLN A 25 61.569 5.947 2.028 1.00 0.00 C ATOM 365 CD GLN A 25 60.575 4.793 2.136 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.221 4.178 1.131 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.105 4.458 3.308 1.00 0.00 N ATOM 0 H GLN A 25 64.063 4.331 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 25 64.089 5.026 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.859 6.758 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.793 5.488 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.213 5.965 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.034 6.896 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.399 4.969 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.444 3.686 3.391 1.00 0.00 H new ATOM 376 N CYS A 26 63.028 2.855 2.392 1.00 0.00 N ATOM 377 CA CYS A 26 62.484 1.533 2.689 1.00 0.00 C ATOM 378 C CYS A 26 62.049 1.454 4.153 1.00 0.00 C ATOM 379 O CYS A 26 62.430 2.292 4.972 1.00 0.00 O ATOM 380 CB CYS A 26 63.545 0.463 2.386 1.00 0.00 C ATOM 381 SG CYS A 26 65.194 1.143 2.698 1.00 0.00 S ATOM 0 H CYS A 26 63.485 3.315 3.180 1.00 0.00 H new ATOM 0 HA CYS A 26 61.609 1.356 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 26 63.379 -0.416 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 26 63.464 0.139 1.349 1.00 0.00 H new ATOM 0 HG CYS A 26 66.092 0.238 2.444 1.00 0.00 H new ATOM 387 N ARG A 27 61.244 0.440 4.470 1.00 0.00 N ATOM 388 CA ARG A 27 60.746 0.241 5.834 1.00 0.00 C ATOM 389 C ARG A 27 61.192 -1.117 6.361 1.00 0.00 C ATOM 390 O ARG A 27 60.873 -2.150 5.777 1.00 0.00 O ATOM 391 CB ARG A 27 59.217 0.309 5.829 1.00 0.00 C ATOM 392 CG ARG A 27 58.676 0.194 7.255 1.00 0.00 C ATOM 393 CD ARG A 27 57.151 0.293 7.208 1.00 0.00 C ATOM 394 NE ARG A 27 56.596 0.371 8.555 1.00 0.00 N ATOM 395 CZ ARG A 27 55.314 0.106 8.776 1.00 0.00 C ATOM 396 NH1 ARG A 27 54.722 -0.838 8.098 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 54.646 0.789 9.666 1.00 0.00 N ATOM 0 H ARG A 27 60.921 -0.258 3.800 1.00 0.00 H new ATOM 0 HA ARG A 27 61.148 1.022 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.889 1.248 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.812 -0.494 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 27 58.980 -0.754 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.087 0.986 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.857 1.173 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.741 -0.574 6.691 1.00 0.00 H new ATOM 0 HE ARG A 27 57.199 0.632 9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.244 -1.369 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 27 53.737 -1.045 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.109 1.529 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 27 53.661 0.583 9.833 1.00 0.00 H new ATOM 411 N LEU A 28 61.931 -1.110 7.468 1.00 0.00 N ATOM 412 CA LEU A 28 62.418 -2.352 8.072 1.00 0.00 C ATOM 413 C LEU A 28 62.131 -2.329 9.569 1.00 0.00 C ATOM 414 O LEU A 28 62.807 -1.634 10.325 1.00 0.00 O ATOM 415 CB LEU A 28 63.932 -2.478 7.828 1.00 0.00 C ATOM 416 CG LEU A 28 64.379 -3.943 7.937 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.861 -4.051 7.561 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.174 -4.460 9.369 1.00 0.00 C ATOM 0 H LEU A 28 62.206 -0.263 7.965 1.00 0.00 H new ATOM 0 HA LEU A 28 61.912 -3.206 7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.180 -2.089 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.474 -1.872 8.554 1.00 0.00 H new ATOM 0 HG LEU A 28 63.780 -4.548 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.181 -5.090 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.003 -3.702 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.454 -3.438 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.495 -5.500 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.762 -3.857 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.119 -4.390 9.633 1.00 0.00 H new ATOM 430 N SER A 29 61.125 -3.085 9.997 1.00 0.00 N ATOM 431 CA SER A 29 60.774 -3.113 11.410 1.00 0.00 C ATOM 432 C SER A 29 61.932 -3.664 12.227 1.00 0.00 C ATOM 433 O SER A 29 62.759 -4.425 11.724 1.00 0.00 O ATOM 434 CB SER A 29 59.519 -3.956 11.639 1.00 0.00 C ATOM 435 OG SER A 29 59.878 -5.329 11.736 1.00 0.00 O ATOM 0 H SER A 29 60.549 -3.676 9.398 1.00 0.00 H new ATOM 0 HA SER A 29 60.567 -2.093 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.015 -3.636 12.551 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.816 -3.810 10.819 1.00 0.00 H new ATOM 0 HG SER A 29 59.081 -5.885 11.609 1.00 0.00 H new ATOM 441 N ARG A 30 61.987 -3.248 13.483 1.00 0.00 N ATOM 442 CA ARG A 30 63.063 -3.644 14.380 1.00 0.00 C ATOM 443 C ARG A 30 63.242 -5.156 14.448 1.00 0.00 C ATOM 444 O ARG A 30 62.307 -5.923 14.221 1.00 0.00 O ATOM 445 CB ARG A 30 62.762 -3.102 15.775 1.00 0.00 C ATOM 446 CG ARG A 30 61.515 -3.784 16.353 1.00 0.00 C ATOM 447 CD ARG A 30 61.167 -3.139 17.696 1.00 0.00 C ATOM 448 NE ARG A 30 62.174 -3.472 18.697 1.00 0.00 N ATOM 449 CZ ARG A 30 62.137 -2.928 19.908 1.00 0.00 C ATOM 450 NH1 ARG A 30 63.070 -3.205 20.780 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 61.174 -2.107 20.220 1.00 0.00 N ATOM 0 H ARG A 30 61.294 -2.632 13.907 1.00 0.00 H new ATOM 0 HA ARG A 30 63.993 -3.229 13.991 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.616 -3.273 16.431 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.607 -2.024 15.728 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.678 -3.686 15.661 1.00 0.00 H new ATOM 0 HG3 ARG A 30 61.697 -4.851 16.484 1.00 0.00 H new ATOM 0 HD2 ARG A 30 61.103 -2.057 17.581 1.00 0.00 H new ATOM 0 HD3 ARG A 30 60.187 -3.482 18.028 1.00 0.00 H new ATOM 0 HE ARG A 30 62.916 -4.131 18.464 1.00 0.00 H new ATOM 0 HH11 ARG A 30 63.828 -3.840 20.531 1.00 0.00 H new ATOM 0 HH12 ARG A 30 63.040 -2.786 21.710 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.452 -1.884 19.535 1.00 0.00 H new ATOM 0 HH22 ARG A 30 61.143 -1.687 21.149 1.00 0.00 H new ATOM 465 N ALA A 31 64.476 -5.563 14.761 1.00 0.00 N ATOM 466 CA ALA A 31 64.828 -6.976 14.865 1.00 0.00 C ATOM 467 C ALA A 31 64.703 -7.460 16.299 1.00 0.00 C ATOM 468 O ALA A 31 64.271 -6.723 17.183 1.00 0.00 O ATOM 469 CB ALA A 31 66.264 -7.205 14.385 1.00 0.00 C ATOM 0 H ALA A 31 65.251 -4.926 14.947 1.00 0.00 H new ATOM 0 HA ALA A 31 64.137 -7.538 14.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.511 -8.263 14.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.354 -6.893 13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.950 -6.622 14.999 1.00 0.00 H new ATOM 475 N SER A 32 65.098 -8.710 16.518 1.00 0.00 N ATOM 476 CA SER A 32 65.047 -9.312 17.847 1.00 0.00 C ATOM 477 C SER A 32 66.262 -10.196 18.030 1.00 0.00 C ATOM 478 O SER A 32 66.987 -10.095 19.021 1.00 0.00 O ATOM 479 CB SER A 32 63.782 -10.159 17.994 1.00 0.00 C ATOM 480 OG SER A 32 63.770 -10.760 19.282 1.00 0.00 O ATOM 0 H SER A 32 65.458 -9.328 15.791 1.00 0.00 H new ATOM 0 HA SER A 32 65.036 -8.524 18.600 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.896 -9.538 17.861 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.752 -10.927 17.221 1.00 0.00 H new ATOM 0 HG SER A 32 62.960 -11.303 19.382 1.00 0.00 H new ATOM 486 N GLY A 33 66.484 -11.049 17.038 1.00 0.00 N ATOM 487 CA GLY A 33 67.621 -11.952 17.046 1.00 0.00 C ATOM 488 C GLY A 33 68.797 -11.300 16.338 1.00 0.00 C ATOM 489 O GLY A 33 69.733 -10.830 16.985 1.00 0.00 O ATOM 0 H GLY A 33 65.887 -11.132 16.215 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.894 -12.200 18.072 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.359 -12.887 16.551 1.00 0.00 H new ATOM 493 N GLN A 34 68.746 -11.267 15.001 1.00 0.00 N ATOM 494 CA GLN A 34 69.817 -10.655 14.211 1.00 0.00 C ATOM 495 C GLN A 34 69.284 -9.578 13.268 1.00 0.00 C ATOM 496 O GLN A 34 68.278 -9.772 12.586 1.00 0.00 O ATOM 497 CB GLN A 34 70.556 -11.734 13.412 1.00 0.00 C ATOM 498 CG GLN A 34 71.782 -11.122 12.731 1.00 0.00 C ATOM 499 CD GLN A 34 72.549 -12.198 11.968 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.946 -13.038 11.301 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.853 -12.223 12.028 1.00 0.00 N ATOM 0 H GLN A 34 67.981 -11.654 14.449 1.00 0.00 H new ATOM 0 HA GLN A 34 70.508 -10.174 14.903 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.862 -12.544 14.073 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.891 -12.166 12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.472 -10.332 12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 34 72.430 -10.662 13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 34 74.352 -11.526 12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 34 74.373 -12.939 11.522 1.00 0.00 H new ATOM 510 N GLU A 35 69.988 -8.446 13.225 1.00 0.00 N ATOM 511 CA GLU A 35 69.606 -7.338 12.351 1.00 0.00 C ATOM 512 C GLU A 35 70.156 -7.571 10.939 1.00 0.00 C ATOM 513 O GLU A 35 71.155 -8.271 10.769 1.00 0.00 O ATOM 514 CB GLU A 35 70.150 -6.015 12.919 1.00 0.00 C ATOM 515 CG GLU A 35 71.685 -6.016 12.880 1.00 0.00 C ATOM 516 CD GLU A 35 72.229 -4.730 13.495 1.00 0.00 C ATOM 517 OE1 GLU A 35 73.434 -4.650 13.674 1.00 0.00 O ATOM 518 OE2 GLU A 35 71.436 -3.849 13.778 1.00 0.00 O1- ATOM 0 H GLU A 35 70.824 -8.273 13.784 1.00 0.00 H new ATOM 0 HA GLU A 35 68.519 -7.282 12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 35 69.764 -5.176 12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 69.805 -5.881 13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.069 -6.879 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.030 -6.109 11.850 1.00 0.00 H new ATOM 525 N ALA A 36 69.509 -6.986 9.932 1.00 0.00 N ATOM 526 CA ALA A 36 69.961 -7.148 8.548 1.00 0.00 C ATOM 527 C ALA A 36 71.244 -6.353 8.302 1.00 0.00 C ATOM 528 O ALA A 36 71.492 -5.339 8.955 1.00 0.00 O ATOM 529 CB ALA A 36 68.878 -6.670 7.578 1.00 0.00 C ATOM 0 H ALA A 36 68.680 -6.402 10.044 1.00 0.00 H new ATOM 0 HA ALA A 36 70.160 -8.206 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.226 -6.796 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.971 -7.256 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.664 -5.617 7.762 1.00 0.00 H new ATOM 535 N ARG A 37 72.061 -6.824 7.356 1.00 0.00 N ATOM 536 CA ARG A 37 73.327 -6.162 7.023 1.00 0.00 C ATOM 537 C ARG A 37 73.238 -5.440 5.684 1.00 0.00 C ATOM 538 O ARG A 37 72.538 -5.877 4.773 1.00 0.00 O ATOM 539 CB ARG A 37 74.454 -7.197 6.936 1.00 0.00 C ATOM 540 CG ARG A 37 74.626 -7.932 8.269 1.00 0.00 C ATOM 541 CD ARG A 37 75.322 -7.032 9.293 1.00 0.00 C ATOM 542 NE ARG A 37 75.635 -7.806 10.487 1.00 0.00 N ATOM 543 CZ ARG A 37 74.818 -7.826 11.535 1.00 0.00 C ATOM 544 NH1 ARG A 37 73.551 -8.108 11.379 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 75.285 -7.555 12.721 1.00 0.00 N ATOM 0 H ARG A 37 71.869 -7.662 6.806 1.00 0.00 H new ATOM 0 HA ARG A 37 73.534 -5.437 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.233 -7.915 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.387 -6.703 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.652 -8.240 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 37 75.210 -8.840 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.235 -6.616 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 37 74.679 -6.191 9.550 1.00 0.00 H new ATOM 0 HE ARG A 37 76.501 -8.345 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 37 73.185 -8.314 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 37 72.928 -8.122 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.272 -7.329 12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 37 74.663 -7.569 13.529 1.00 0.00 H new ATOM 559 N TRP A 38 73.979 -4.336 5.575 1.00 0.00 N ATOM 560 CA TRP A 38 74.024 -3.531 4.350 1.00 0.00 C ATOM 561 C TRP A 38 75.385 -3.744 3.678 1.00 0.00 C ATOM 562 O TRP A 38 76.380 -3.991 4.362 1.00 0.00 O ATOM 563 CB TRP A 38 73.821 -2.042 4.719 1.00 0.00 C ATOM 564 CG TRP A 38 72.960 -1.337 3.709 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.400 -0.409 2.828 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.525 -1.474 3.475 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.332 0.032 2.069 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.155 -0.594 2.428 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.520 -2.268 4.058 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.838 -0.501 1.980 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.190 -2.176 3.608 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.851 -1.296 2.571 1.00 0.00 C ATOM 0 H TRP A 38 74.563 -3.975 6.329 1.00 0.00 H new ATOM 0 HA TRP A 38 73.235 -3.829 3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.361 -1.970 5.705 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.790 -1.546 4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.420 -0.068 2.733 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.405 0.735 1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.771 -2.952 4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.582 0.180 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.426 -2.787 4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.829 -1.232 2.229 1.00 0.00 H new ATOM 583 N ALA A 39 75.436 -3.674 2.351 1.00 0.00 N ATOM 584 CA ALA A 39 76.703 -3.891 1.660 1.00 0.00 C ATOM 585 C ALA A 39 76.587 -3.608 0.166 1.00 0.00 C ATOM 586 O ALA A 39 75.508 -3.699 -0.416 1.00 0.00 O ATOM 587 CB ALA A 39 77.156 -5.335 1.881 1.00 0.00 C ATOM 0 H ALA A 39 74.639 -3.475 1.746 1.00 0.00 H new ATOM 0 HA ALA A 39 77.438 -3.199 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 39 78.102 -5.502 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.286 -5.516 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.403 -6.017 1.486 1.00 0.00 H new ATOM 593 N LEU A 40 77.722 -3.277 -0.446 1.00 0.00 N ATOM 594 CA LEU A 40 77.784 -2.991 -1.880 1.00 0.00 C ATOM 595 C LEU A 40 78.976 -3.713 -2.497 1.00 0.00 C ATOM 596 O LEU A 40 80.111 -3.542 -2.055 1.00 0.00 O ATOM 597 CB LEU A 40 77.907 -1.472 -2.088 1.00 0.00 C ATOM 598 CG LEU A 40 78.209 -1.140 -3.557 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.123 -1.728 -4.465 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.248 0.385 -3.723 1.00 0.00 C ATOM 0 H LEU A 40 78.619 -3.199 0.033 1.00 0.00 H new ATOM 0 HA LEU A 40 76.875 -3.344 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.981 -0.984 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.699 -1.077 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 40 79.170 -1.571 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.347 -1.486 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 40 77.093 -2.811 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 76.155 -1.306 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.462 0.632 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 40 77.283 0.807 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.027 0.801 -3.084 1.00 0.00 H new ATOM 612 N GLY A 41 78.715 -4.515 -3.522 1.00 0.00 N ATOM 613 CA GLY A 41 79.784 -5.250 -4.193 1.00 0.00 C ATOM 614 C GLY A 41 80.205 -6.482 -3.398 1.00 0.00 C ATOM 615 O GLY A 41 81.163 -7.162 -3.763 1.00 0.00 O ATOM 0 H GLY A 41 77.783 -4.673 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.450 -5.553 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.644 -4.595 -4.333 1.00 0.00 H new ATOM 619 N GLY A 42 79.483 -6.777 -2.317 1.00 0.00 N ATOM 620 CA GLY A 42 79.795 -7.946 -1.489 1.00 0.00 C ATOM 621 C GLY A 42 80.566 -7.565 -0.224 1.00 0.00 C ATOM 622 O GLY A 42 80.653 -8.359 0.711 1.00 0.00 O ATOM 0 H GLY A 42 78.685 -6.230 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.870 -8.450 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.382 -8.656 -2.071 1.00 0.00 H new ATOM 626 N VAL A 43 81.129 -6.353 -0.195 1.00 0.00 N ATOM 627 CA VAL A 43 81.894 -5.888 0.974 1.00 0.00 C ATOM 628 C VAL A 43 81.153 -4.739 1.678 1.00 0.00 C ATOM 629 O VAL A 43 80.567 -3.889 1.008 1.00 0.00 O ATOM 630 CB VAL A 43 83.276 -5.392 0.527 1.00 0.00 C ATOM 631 CG1 VAL A 43 84.060 -6.536 -0.119 1.00 0.00 C ATOM 632 CG2 VAL A 43 83.110 -4.261 -0.493 1.00 0.00 C ATOM 0 H VAL A 43 81.072 -5.679 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 43 82.006 -6.722 1.667 1.00 0.00 H new ATOM 0 HB VAL A 43 83.819 -5.028 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 43 85.039 -6.174 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.186 -7.344 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.515 -6.906 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 43 84.092 -3.910 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.560 -4.630 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.560 -3.438 -0.037 1.00 0.00 H new ATOM 642 N PRO A 44 81.163 -4.671 2.998 1.00 0.00 N ATOM 643 CA PRO A 44 80.468 -3.564 3.710 1.00 0.00 C ATOM 644 C PRO A 44 80.991 -2.201 3.243 1.00 0.00 C ATOM 645 O PRO A 44 82.184 -2.039 2.983 1.00 0.00 O ATOM 646 CB PRO A 44 80.777 -3.777 5.213 1.00 0.00 C ATOM 647 CG PRO A 44 81.636 -5.015 5.326 1.00 0.00 C ATOM 648 CD PRO A 44 81.801 -5.625 3.921 1.00 0.00 C ATOM 0 HA PRO A 44 79.396 -3.573 3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.295 -2.911 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.855 -3.896 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.610 -4.763 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.174 -5.736 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.854 -5.764 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.328 -6.605 3.861 1.00 0.00 H new ATOM 656 N LEU A 45 80.090 -1.227 3.151 1.00 0.00 N ATOM 657 CA LEU A 45 80.452 0.128 2.726 1.00 0.00 C ATOM 658 C LEU A 45 80.559 1.035 3.953 1.00 0.00 C ATOM 659 O LEU A 45 80.594 0.552 5.085 1.00 0.00 O ATOM 660 CB LEU A 45 79.392 0.677 1.745 1.00 0.00 C ATOM 661 CG LEU A 45 78.016 0.077 2.065 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.615 0.435 3.500 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.970 0.631 1.088 1.00 0.00 C ATOM 0 H LEU A 45 79.100 -1.348 3.365 1.00 0.00 H new ATOM 0 HA LEU A 45 81.415 0.102 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.349 1.764 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.674 0.435 0.720 1.00 0.00 H new ATOM 0 HG LEU A 45 78.067 -1.007 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.638 0.007 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.353 0.034 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.569 1.519 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.994 0.203 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.922 1.716 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.250 0.368 0.068 1.00 0.00 H new ATOM 675 N GLN A 46 80.610 2.345 3.725 1.00 0.00 N ATOM 676 CA GLN A 46 80.709 3.301 4.826 1.00 0.00 C ATOM 677 C GLN A 46 80.112 4.650 4.435 1.00 0.00 C ATOM 678 O GLN A 46 80.065 5.004 3.255 1.00 0.00 O ATOM 679 CB GLN A 46 82.173 3.490 5.230 1.00 0.00 C ATOM 680 CG GLN A 46 83.024 3.724 3.981 1.00 0.00 C ATOM 681 CD GLN A 46 83.208 2.423 3.211 1.00 0.00 C ATOM 682 OE1 GLN A 46 83.451 1.374 3.808 1.00 0.00 O ATOM 683 NE2 GLN A 46 83.103 2.426 1.908 1.00 0.00 N ATOM 0 H GLN A 46 80.585 2.767 2.797 1.00 0.00 H new ATOM 0 HA GLN A 46 80.146 2.901 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.267 4.337 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.529 2.610 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.547 4.467 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 46 83.996 4.126 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.902 3.296 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 46 83.222 1.559 1.385 1.00 0.00 H new ATOM 692 N ALA A 47 79.658 5.390 5.444 1.00 0.00 N ATOM 693 CA ALA A 47 79.055 6.704 5.233 1.00 0.00 C ATOM 694 C ALA A 47 79.995 7.629 4.464 1.00 0.00 C ATOM 695 O ALA A 47 80.609 8.528 5.041 1.00 0.00 O ATOM 696 CB ALA A 47 78.726 7.332 6.588 1.00 0.00 C ATOM 0 H ALA A 47 79.697 5.100 6.421 1.00 0.00 H new ATOM 0 HA ALA A 47 78.147 6.573 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.276 8.313 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 47 78.027 6.692 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.641 7.440 7.171 1.00 0.00 H new ATOM 702 N ASN A 48 80.093 7.409 3.161 1.00 0.00 N ATOM 703 CA ASN A 48 80.948 8.227 2.315 1.00 0.00 C ATOM 704 C ASN A 48 80.298 9.589 2.082 1.00 0.00 C ATOM 705 O ASN A 48 79.147 9.808 2.457 1.00 0.00 O ATOM 706 CB ASN A 48 81.187 7.510 0.982 1.00 0.00 C ATOM 707 CG ASN A 48 82.417 8.079 0.278 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.374 9.188 -0.256 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.517 7.375 0.241 1.00 0.00 N ATOM 0 H ASN A 48 79.591 6.671 2.667 1.00 0.00 H new ATOM 0 HA ASN A 48 81.908 8.382 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.322 6.443 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.312 7.620 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.343 7.744 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.550 6.457 0.684 1.00 0.00 H new ATOM 716 N GLU A 49 81.045 10.499 1.476 1.00 0.00 N ATOM 717 CA GLU A 49 80.537 11.840 1.213 1.00 0.00 C ATOM 718 C GLU A 49 79.324 11.791 0.277 1.00 0.00 C ATOM 719 O GLU A 49 78.408 12.608 0.394 1.00 0.00 O ATOM 720 CB GLU A 49 81.644 12.696 0.587 1.00 0.00 C ATOM 721 CG GLU A 49 82.755 12.961 1.617 1.00 0.00 C ATOM 722 CD GLU A 49 82.228 13.800 2.779 1.00 0.00 C ATOM 723 OE1 GLU A 49 81.172 14.393 2.628 1.00 0.00 O ATOM 724 OE2 GLU A 49 82.901 13.851 3.797 1.00 0.00 O1- ATOM 0 H GLU A 49 82.000 10.337 1.158 1.00 0.00 H new ATOM 0 HA GLU A 49 80.222 12.283 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.059 12.188 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.229 13.641 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.142 12.014 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.586 13.478 1.137 1.00 0.00 H new ATOM 731 N MET A 50 79.327 10.836 -0.654 1.00 0.00 N ATOM 732 CA MET A 50 78.226 10.691 -1.609 1.00 0.00 C ATOM 733 C MET A 50 77.195 9.678 -1.107 1.00 0.00 C ATOM 734 O MET A 50 76.053 9.664 -1.563 1.00 0.00 O ATOM 735 CB MET A 50 78.773 10.217 -2.956 1.00 0.00 C ATOM 736 CG MET A 50 79.602 8.946 -2.751 1.00 0.00 C ATOM 737 SD MET A 50 80.123 8.291 -4.358 1.00 0.00 S ATOM 738 CE MET A 50 81.625 9.284 -4.542 1.00 0.00 C ATOM 0 H MET A 50 80.076 10.153 -0.768 1.00 0.00 H new ATOM 0 HA MET A 50 77.742 11.661 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 50 77.952 10.021 -3.646 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.388 10.997 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.475 9.165 -2.136 1.00 0.00 H new ATOM 0 HG3 MET A 50 79.015 8.199 -2.216 1.00 0.00 H new ATOM 0 HE1 MET A 50 82.113 9.035 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 50 81.364 10.342 -4.537 1.00 0.00 H new ATOM 0 HE3 MET A 50 82.304 9.074 -3.715 1.00 0.00 H new ATOM 748 N ASN A 51 77.615 8.826 -0.170 1.00 0.00 N ATOM 749 CA ASN A 51 76.739 7.794 0.399 1.00 0.00 C ATOM 750 C ASN A 51 76.606 7.990 1.906 1.00 0.00 C ATOM 751 O ASN A 51 77.598 7.927 2.630 1.00 0.00 O ATOM 752 CB ASN A 51 77.331 6.411 0.124 1.00 0.00 C ATOM 753 CG ASN A 51 76.283 5.335 0.382 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.304 5.577 1.088 1.00 0.00 O ATOM 755 ND2 ASN A 51 76.432 4.154 -0.149 1.00 0.00 N ATOM 0 H ASN A 51 78.560 8.829 0.214 1.00 0.00 H new ATOM 0 HA ASN A 51 75.755 7.874 -0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.677 6.353 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 51 78.199 6.245 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.736 3.427 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.244 3.956 -0.734 1.00 0.00 H new ATOM 762 N ASP A 52 75.380 8.225 2.379 1.00 0.00 N ATOM 763 CA ASP A 52 75.138 8.430 3.809 1.00 0.00 C ATOM 764 C ASP A 52 74.153 7.397 4.340 1.00 0.00 C ATOM 765 O ASP A 52 73.195 7.031 3.658 1.00 0.00 O ATOM 766 CB ASP A 52 74.580 9.835 4.040 1.00 0.00 C ATOM 767 CG ASP A 52 75.662 10.875 3.763 1.00 0.00 C ATOM 768 OD1 ASP A 52 76.813 10.487 3.648 1.00 0.00 O ATOM 769 OD2 ASP A 52 75.324 12.044 3.670 1.00 0.00 O1- ATOM 0 H ASP A 52 74.544 8.278 1.797 1.00 0.00 H new ATOM 0 HA ASP A 52 76.083 8.318 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.723 10.007 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.225 9.931 5.066 1.00 0.00 H new ATOM 774 N ILE A 53 74.392 6.934 5.571 1.00 0.00 N ATOM 775 CA ILE A 53 73.517 5.948 6.205 1.00 0.00 C ATOM 776 C ILE A 53 72.858 6.569 7.428 1.00 0.00 C ATOM 777 O ILE A 53 73.544 6.971 8.368 1.00 0.00 O ATOM 778 CB ILE A 53 74.324 4.717 6.637 1.00 0.00 C ATOM 779 CG1 ILE A 53 75.301 4.310 5.523 1.00 0.00 C ATOM 780 CG2 ILE A 53 73.370 3.559 6.934 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.556 4.052 4.200 1.00 0.00 C ATOM 0 H ILE A 53 75.182 7.226 6.145 1.00 0.00 H new ATOM 0 HA ILE A 53 72.756 5.640 5.488 1.00 0.00 H new ATOM 0 HB ILE A 53 74.892 4.960 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 53 76.042 5.096 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.843 3.412 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.944 2.684 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.689 3.845 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.797 3.321 6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.272 3.766 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.833 3.248 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.035 4.959 3.893 1.00 0.00 H new ATOM 793 N THR A 54 71.532 6.656 7.419 1.00 0.00 N ATOM 794 CA THR A 54 70.813 7.247 8.548 1.00 0.00 C ATOM 795 C THR A 54 69.553 6.451 8.877 1.00 0.00 C ATOM 796 O THR A 54 69.042 5.702 8.044 1.00 0.00 O ATOM 797 CB THR A 54 70.456 8.701 8.221 1.00 0.00 C ATOM 798 OG1 THR A 54 69.285 8.741 7.417 1.00 0.00 O ATOM 799 CG2 THR A 54 71.617 9.355 7.466 1.00 0.00 C ATOM 0 H THR A 54 70.938 6.331 6.656 1.00 0.00 H new ATOM 0 HA THR A 54 71.460 7.220 9.425 1.00 0.00 H new ATOM 0 HB THR A 54 70.273 9.243 9.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.447 8.259 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 54 71.363 10.389 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 54 72.513 9.332 8.086 1.00 0.00 H new ATOM 0 HG23 THR A 54 71.802 8.810 6.540 1.00 0.00 H new ATOM 807 N VAL A 55 69.056 6.623 10.107 1.00 0.00 N ATOM 808 CA VAL A 55 67.846 5.924 10.559 1.00 0.00 C ATOM 809 C VAL A 55 66.754 6.944 10.885 1.00 0.00 C ATOM 810 O VAL A 55 66.986 7.895 11.632 1.00 0.00 O ATOM 811 CB VAL A 55 68.154 5.074 11.805 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.850 4.557 12.422 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.021 3.874 11.413 1.00 0.00 C ATOM 0 H VAL A 55 69.471 7.239 10.806 1.00 0.00 H new ATOM 0 HA VAL A 55 67.500 5.265 9.762 1.00 0.00 H new ATOM 0 HB VAL A 55 68.683 5.695 12.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.077 3.957 13.303 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.224 5.401 12.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.320 3.945 11.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.236 3.276 12.298 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.489 3.264 10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.956 4.227 10.978 1.00 0.00 H new ATOM 823 N GLU A 56 65.562 6.734 10.322 1.00 0.00 N ATOM 824 CA GLU A 56 64.426 7.633 10.553 1.00 0.00 C ATOM 825 C GLU A 56 63.403 6.949 11.461 1.00 0.00 C ATOM 826 O GLU A 56 63.482 5.743 11.693 1.00 0.00 O ATOM 827 CB GLU A 56 63.761 7.985 9.217 1.00 0.00 C ATOM 828 CG GLU A 56 64.761 8.715 8.315 1.00 0.00 C ATOM 829 CD GLU A 56 65.152 10.052 8.934 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.408 10.537 9.771 1.00 0.00 O ATOM 831 OE2 GLU A 56 66.193 10.572 8.565 1.00 0.00 O1- ATOM 0 H GLU A 56 65.357 5.950 9.703 1.00 0.00 H new ATOM 0 HA GLU A 56 64.786 8.544 11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.409 7.078 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.887 8.613 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.649 8.099 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.323 8.877 7.330 1.00 0.00 H new ATOM 838 N GLN A 57 62.444 7.715 11.973 1.00 0.00 N ATOM 839 CA GLN A 57 61.422 7.151 12.853 1.00 0.00 C ATOM 840 C GLN A 57 60.661 6.035 12.142 1.00 0.00 C ATOM 841 O GLN A 57 60.553 6.024 10.916 1.00 0.00 O ATOM 842 CB GLN A 57 60.442 8.247 13.295 1.00 0.00 C ATOM 843 CG GLN A 57 59.362 7.668 14.224 1.00 0.00 C ATOM 844 CD GLN A 57 60.002 7.064 15.471 1.00 0.00 C ATOM 845 OE1 GLN A 57 60.705 7.757 16.207 1.00 0.00 O ATOM 846 NE2 GLN A 57 59.792 5.807 15.758 1.00 0.00 N ATOM 0 H GLN A 57 62.352 8.716 11.798 1.00 0.00 H new ATOM 0 HA GLN A 57 61.915 6.736 13.732 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.984 9.040 13.809 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.973 8.697 12.420 1.00 0.00 H new ATOM 0 HG2 GLN A 57 58.661 8.452 14.510 1.00 0.00 H new ATOM 0 HG3 GLN A 57 58.789 6.906 13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 57 59.209 5.235 15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 57 60.211 5.398 16.593 1.00 0.00 H new ATOM 855 N GLY A 58 60.137 5.096 12.925 1.00 0.00 N ATOM 856 CA GLY A 58 59.388 3.978 12.365 1.00 0.00 C ATOM 857 C GLY A 58 60.338 2.920 11.822 1.00 0.00 C ATOM 858 O GLY A 58 59.925 1.990 11.131 1.00 0.00 O ATOM 0 H GLY A 58 60.217 5.087 13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.747 3.541 13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.735 4.333 11.568 1.00 0.00 H new ATOM 862 N THR A 59 61.614 3.076 12.154 1.00 0.00 N ATOM 863 CA THR A 59 62.642 2.144 11.716 1.00 0.00 C ATOM 864 C THR A 59 62.870 2.256 10.208 1.00 0.00 C ATOM 865 O THR A 59 63.283 1.291 9.566 1.00 0.00 O ATOM 866 CB THR A 59 62.245 0.704 12.095 1.00 0.00 C ATOM 867 OG1 THR A 59 61.366 0.739 13.208 1.00 0.00 O ATOM 868 CG2 THR A 59 63.493 -0.113 12.457 1.00 0.00 C ATOM 0 H THR A 59 61.961 3.844 12.728 1.00 0.00 H new ATOM 0 HA THR A 59 63.575 2.397 12.219 1.00 0.00 H new ATOM 0 HB THR A 59 61.750 0.235 11.245 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.110 -0.175 13.451 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.199 -1.128 12.723 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.169 -0.143 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 59 63.999 0.351 13.303 1.00 0.00 H new ATOM 876 N LEU A 60 62.603 3.437 9.644 1.00 0.00 N ATOM 877 CA LEU A 60 62.802 3.643 8.209 1.00 0.00 C ATOM 878 C LEU A 60 64.242 4.071 7.929 1.00 0.00 C ATOM 879 O LEU A 60 64.750 5.009 8.542 1.00 0.00 O ATOM 880 CB LEU A 60 61.833 4.716 7.688 1.00 0.00 C ATOM 881 CG LEU A 60 60.459 4.095 7.427 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.925 3.476 8.719 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.492 5.181 6.950 1.00 0.00 C ATOM 0 H LEU A 60 62.255 4.252 10.149 1.00 0.00 H new ATOM 0 HA LEU A 60 62.605 2.703 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.745 5.523 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.223 5.156 6.770 1.00 0.00 H new ATOM 0 HG LEU A 60 60.549 3.323 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.946 3.034 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.613 2.704 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.835 4.249 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.513 4.740 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.403 5.951 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 60 59.870 5.626 6.030 1.00 0.00 H new ATOM 895 N HIS A 61 64.888 3.393 6.984 1.00 0.00 N ATOM 896 CA HIS A 61 66.265 3.726 6.615 1.00 0.00 C ATOM 897 C HIS A 61 66.267 4.617 5.372 1.00 0.00 C ATOM 898 O HIS A 61 65.591 4.319 4.383 1.00 0.00 O ATOM 899 CB HIS A 61 67.060 2.449 6.332 1.00 0.00 C ATOM 900 CG HIS A 61 67.271 1.678 7.609 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.453 0.621 7.983 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.221 1.781 8.594 1.00 0.00 C ATOM 903 CE1 HIS A 61 66.927 0.133 9.147 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.003 0.805 9.563 1.00 0.00 N ATOM 0 H HIS A 61 64.485 2.615 6.462 1.00 0.00 H new ATOM 0 HA HIS A 61 66.732 4.259 7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.527 1.832 5.609 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.022 2.701 5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.018 2.510 8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.490 -0.700 9.678 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.548 0.639 10.409 1.00 0.00 H new ATOM 912 N LEU A 62 67.019 5.720 5.437 1.00 0.00 N ATOM 913 CA LEU A 62 67.104 6.670 4.320 1.00 0.00 C ATOM 914 C LEU A 62 68.565 6.849 3.899 1.00 0.00 C ATOM 915 O LEU A 62 69.379 7.374 4.663 1.00 0.00 O ATOM 916 CB LEU A 62 66.522 8.023 4.783 1.00 0.00 C ATOM 917 CG LEU A 62 66.142 8.937 3.592 1.00 0.00 C ATOM 918 CD1 LEU A 62 67.323 9.109 2.626 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.926 8.366 2.827 1.00 0.00 C ATOM 0 H LEU A 62 67.578 5.978 6.250 1.00 0.00 H new ATOM 0 HA LEU A 62 66.540 6.294 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.640 7.845 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.251 8.534 5.412 1.00 0.00 H new ATOM 0 HG LEU A 62 65.880 9.913 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 62 67.026 9.755 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.163 9.559 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 62 67.619 8.135 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 64.678 9.025 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.169 7.375 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.072 8.295 3.501 1.00 0.00 H new ATOM 931 N LEU A 63 68.888 6.438 2.668 1.00 0.00 N ATOM 932 CA LEU A 63 70.242 6.592 2.131 1.00 0.00 C ATOM 933 C LEU A 63 70.267 7.763 1.160 1.00 0.00 C ATOM 934 O LEU A 63 69.637 7.720 0.103 1.00 0.00 O ATOM 935 CB LEU A 63 70.687 5.290 1.430 1.00 0.00 C ATOM 936 CG LEU A 63 71.526 4.417 2.374 1.00 0.00 C ATOM 937 CD1 LEU A 63 70.761 4.157 3.679 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.828 3.088 1.678 1.00 0.00 C ATOM 0 H LEU A 63 68.230 5.997 2.026 1.00 0.00 H new ATOM 0 HA LEU A 63 70.938 6.793 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.811 4.734 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.268 5.532 0.540 1.00 0.00 H new ATOM 0 HG LEU A 63 72.456 4.932 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.368 3.537 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.545 5.106 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 63 69.826 3.643 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.424 2.458 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 63 70.893 2.581 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.383 3.276 0.759 1.00 0.00 H new ATOM 950 N THR A 64 70.995 8.811 1.520 1.00 0.00 N ATOM 951 CA THR A 64 71.083 9.986 0.664 1.00 0.00 C ATOM 952 C THR A 64 72.230 9.838 -0.322 1.00 0.00 C ATOM 953 O THR A 64 73.395 9.756 0.064 1.00 0.00 O ATOM 954 CB THR A 64 71.306 11.231 1.523 1.00 0.00 C ATOM 955 OG1 THR A 64 70.325 11.270 2.549 1.00 0.00 O ATOM 956 CG2 THR A 64 71.191 12.493 0.662 1.00 0.00 C ATOM 0 H THR A 64 71.527 8.872 2.388 1.00 0.00 H new ATOM 0 HA THR A 64 70.151 10.086 0.108 1.00 0.00 H new ATOM 0 HB THR A 64 72.303 11.191 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 64 70.464 12.065 3.104 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.352 13.374 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.942 12.465 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.197 12.540 0.216 1.00 0.00 H new ATOM 964 N LEU A 65 71.881 9.810 -1.601 1.00 0.00 N ATOM 965 CA LEU A 65 72.869 9.679 -2.675 1.00 0.00 C ATOM 966 C LEU A 65 73.027 11.007 -3.413 1.00 0.00 C ATOM 967 O LEU A 65 72.045 11.599 -3.862 1.00 0.00 O ATOM 968 CB LEU A 65 72.407 8.600 -3.650 1.00 0.00 C ATOM 969 CG LEU A 65 73.498 8.322 -4.695 1.00 0.00 C ATOM 970 CD1 LEU A 65 74.741 7.703 -4.022 1.00 0.00 C ATOM 971 CD2 LEU A 65 72.937 7.369 -5.765 1.00 0.00 C ATOM 0 H LEU A 65 70.917 9.876 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 65 73.832 9.402 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.174 7.685 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 65 71.491 8.918 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 65 73.798 9.259 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 65 75.505 7.512 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.132 8.394 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 74.465 6.766 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.706 7.167 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 65 72.632 6.434 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 65 72.076 7.831 -6.248 1.00 0.00 H new ATOM 983 N HIS A 66 74.265 11.474 -3.529 1.00 0.00 N ATOM 984 CA HIS A 66 74.538 12.738 -4.208 1.00 0.00 C ATOM 985 C HIS A 66 74.670 12.529 -5.716 1.00 0.00 C ATOM 986 O HIS A 66 74.363 11.456 -6.233 1.00 0.00 O ATOM 987 CB HIS A 66 75.824 13.352 -3.653 1.00 0.00 C ATOM 988 CG HIS A 66 75.648 13.605 -2.180 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.507 13.213 -1.497 1.00 0.00 N ATOM 990 CD2 HIS A 66 76.453 14.210 -1.247 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.657 13.579 -0.212 1.00 0.00 C ATOM 992 NE2 HIS A 66 75.825 14.191 -0.003 1.00 0.00 N ATOM 0 H HIS A 66 75.092 11.001 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 66 73.703 13.415 -4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.666 12.680 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 66 76.051 14.284 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 66 77.425 14.636 -1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 66 73.921 13.400 0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 66 76.181 14.564 0.877 1.00 0.00 H new ATOM 1000 N LYS A 67 75.119 13.569 -6.413 1.00 0.00 N ATOM 1001 CA LYS A 67 75.283 13.500 -7.863 1.00 0.00 C ATOM 1002 C LYS A 67 76.479 12.625 -8.229 1.00 0.00 C ATOM 1003 O LYS A 67 77.514 13.125 -8.672 1.00 0.00 O ATOM 1004 CB LYS A 67 75.489 14.908 -8.427 1.00 0.00 C ATOM 1005 CG LYS A 67 74.213 15.733 -8.245 1.00 0.00 C ATOM 1006 CD LYS A 67 74.422 17.131 -8.832 1.00 0.00 C ATOM 1007 CE LYS A 67 73.153 17.960 -8.640 1.00 0.00 C ATOM 1008 NZ LYS A 67 72.012 17.265 -9.298 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.375 14.466 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 67 74.383 13.060 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 76.322 15.394 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 67 75.748 14.852 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 67 73.375 15.241 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 67 73.961 15.805 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 67 75.265 17.619 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 67 74.665 17.059 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 67 72.949 18.095 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 67 73.285 18.954 -9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 71.266 17.955 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 72.339 16.816 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 71.633 16.538 -8.658 1.00 0.00 H new ATOM 1022 N VAL A 68 76.333 11.319 -8.032 1.00 0.00 N ATOM 1023 CA VAL A 68 77.407 10.378 -8.329 1.00 0.00 C ATOM 1024 C VAL A 68 77.661 10.254 -9.823 1.00 0.00 C ATOM 1025 O VAL A 68 77.098 10.989 -10.634 1.00 0.00 O ATOM 1026 CB VAL A 68 77.060 8.995 -7.780 1.00 0.00 C ATOM 1027 CG1 VAL A 68 77.035 9.043 -6.260 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.683 8.570 -8.296 1.00 0.00 C ATOM 0 H VAL A 68 75.483 10.888 -7.668 1.00 0.00 H new ATOM 0 HA VAL A 68 78.309 10.765 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 68 77.811 8.277 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 68 76.787 8.056 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 68 78.015 9.345 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 68 76.285 9.762 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 68 75.436 7.583 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.933 9.289 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.698 8.534 -9.385 1.00 0.00 H new ATOM 1038 N THR A 69 78.520 9.298 -10.165 1.00 0.00 N ATOM 1039 CA THR A 69 78.884 9.024 -11.551 1.00 0.00 C ATOM 1040 C THR A 69 78.758 7.528 -11.832 1.00 0.00 C ATOM 1041 O THR A 69 78.142 6.794 -11.060 1.00 0.00 O ATOM 1042 CB THR A 69 80.321 9.480 -11.803 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.206 8.708 -11.005 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.451 10.960 -11.437 1.00 0.00 C ATOM 0 H THR A 69 78.983 8.691 -9.488 1.00 0.00 H new ATOM 0 HA THR A 69 78.213 9.569 -12.215 1.00 0.00 H new ATOM 0 HB THR A 69 80.573 9.344 -12.855 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.128 8.997 -11.166 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.474 11.290 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.768 11.548 -12.050 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.203 11.098 -10.385 1.00 0.00 H new ATOM 1052 N LEU A 70 79.334 7.086 -12.940 1.00 0.00 N ATOM 1053 CA LEU A 70 79.269 5.676 -13.316 1.00 0.00 C ATOM 1054 C LEU A 70 79.999 4.807 -12.289 1.00 0.00 C ATOM 1055 O LEU A 70 79.827 3.589 -12.263 1.00 0.00 O ATOM 1056 CB LEU A 70 79.900 5.477 -14.699 1.00 0.00 C ATOM 1057 CG LEU A 70 79.283 6.454 -15.712 1.00 0.00 C ATOM 1058 CD1 LEU A 70 79.945 6.255 -17.078 1.00 0.00 C ATOM 1059 CD2 LEU A 70 77.776 6.207 -15.848 1.00 0.00 C ATOM 0 H LEU A 70 79.849 7.677 -13.593 1.00 0.00 H new ATOM 0 HA LEU A 70 78.222 5.375 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.977 5.635 -14.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.746 4.451 -15.033 1.00 0.00 H new ATOM 0 HG LEU A 70 79.447 7.472 -15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 70 79.509 6.947 -17.798 1.00 0.00 H new ATOM 0 HD12 LEU A 70 81.015 6.445 -16.995 1.00 0.00 H new ATOM 0 HD13 LEU A 70 79.783 5.231 -17.415 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.356 6.908 -16.569 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.604 5.187 -16.191 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.295 6.350 -14.880 1.00 0.00 H new ATOM 1071 N GLU A 71 80.821 5.436 -11.454 1.00 0.00 N ATOM 1072 CA GLU A 71 81.580 4.701 -10.442 1.00 0.00 C ATOM 1073 C GLU A 71 80.664 4.060 -9.399 1.00 0.00 C ATOM 1074 O GLU A 71 80.927 2.952 -8.932 1.00 0.00 O ATOM 1075 CB GLU A 71 82.567 5.640 -9.742 1.00 0.00 C ATOM 1076 CG GLU A 71 83.669 6.045 -10.721 1.00 0.00 C ATOM 1077 CD GLU A 71 84.627 7.023 -10.050 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.409 7.336 -8.891 1.00 0.00 O ATOM 1079 OE2 GLU A 71 85.566 7.444 -10.704 1.00 0.00 O1- ATOM 0 H GLU A 71 80.979 6.444 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 71 82.121 3.905 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.046 6.526 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.002 5.146 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 71 84.213 5.162 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.230 6.503 -11.607 1.00 0.00 H new ATOM 1086 N ASP A 72 79.604 4.763 -9.024 1.00 0.00 N ATOM 1087 CA ASP A 72 78.674 4.244 -8.025 1.00 0.00 C ATOM 1088 C ASP A 72 77.925 3.018 -8.547 1.00 0.00 C ATOM 1089 O ASP A 72 77.640 2.087 -7.794 1.00 0.00 O ATOM 1090 CB ASP A 72 77.676 5.329 -7.625 1.00 0.00 C ATOM 1091 CG ASP A 72 76.674 4.768 -6.624 1.00 0.00 C ATOM 1092 OD1 ASP A 72 75.683 5.432 -6.370 1.00 0.00 O ATOM 1093 OD2 ASP A 72 76.912 3.681 -6.124 1.00 0.00 O1- ATOM 0 H ASP A 72 79.366 5.685 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 72 79.253 3.943 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.203 6.177 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.154 5.698 -8.508 1.00 0.00 H new ATOM 1098 N ALA A 73 77.601 3.028 -9.837 1.00 0.00 N ATOM 1099 CA ALA A 73 76.878 1.919 -10.450 1.00 0.00 C ATOM 1100 C ALA A 73 77.383 0.574 -9.931 1.00 0.00 C ATOM 1101 O ALA A 73 78.517 0.173 -10.197 1.00 0.00 O ATOM 1102 CB ALA A 73 77.034 1.980 -11.972 1.00 0.00 C ATOM 0 H ALA A 73 77.827 3.790 -10.476 1.00 0.00 H new ATOM 0 HA ALA A 73 75.825 2.010 -10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.493 1.150 -12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.630 2.923 -12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.090 1.911 -12.233 1.00 0.00 H new ATOM 1108 N GLY A 74 76.520 -0.112 -9.193 1.00 0.00 N ATOM 1109 CA GLY A 74 76.851 -1.412 -8.625 1.00 0.00 C ATOM 1110 C GLY A 74 75.590 -2.068 -8.073 1.00 0.00 C ATOM 1111 O GLY A 74 74.501 -1.502 -8.167 1.00 0.00 O ATOM 0 H GLY A 74 75.579 0.213 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.300 -2.049 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.589 -1.296 -7.831 1.00 0.00 H new ATOM 1115 N THR A 75 75.731 -3.266 -7.511 1.00 0.00 N ATOM 1116 CA THR A 75 74.579 -3.990 -6.964 1.00 0.00 C ATOM 1117 C THR A 75 74.569 -3.950 -5.436 1.00 0.00 C ATOM 1118 O THR A 75 75.499 -4.426 -4.787 1.00 0.00 O ATOM 1119 CB THR A 75 74.629 -5.446 -7.440 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.557 -5.478 -8.858 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.453 -6.231 -6.857 1.00 0.00 C ATOM 0 H THR A 75 76.622 -3.755 -7.421 1.00 0.00 H new ATOM 0 HA THR A 75 73.668 -3.507 -7.319 1.00 0.00 H new ATOM 0 HB THR A 75 75.562 -5.899 -7.104 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.590 -6.408 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.498 -7.264 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.505 -6.209 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.516 -5.780 -7.185 1.00 0.00 H new ATOM 1129 N VAL A 76 73.493 -3.395 -4.870 1.00 0.00 N ATOM 1130 CA VAL A 76 73.347 -3.318 -3.416 1.00 0.00 C ATOM 1131 C VAL A 76 72.559 -4.529 -2.928 1.00 0.00 C ATOM 1132 O VAL A 76 71.540 -4.889 -3.518 1.00 0.00 O ATOM 1133 CB VAL A 76 72.601 -2.043 -2.999 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.726 -1.859 -1.487 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.194 -0.818 -3.701 1.00 0.00 C ATOM 0 H VAL A 76 72.715 -2.995 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 76 74.343 -3.300 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 76 71.553 -2.141 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.198 -0.954 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.291 -2.720 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.778 -1.772 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.652 0.076 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.245 -0.717 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.108 -0.940 -4.781 1.00 0.00 H new ATOM 1145 N SER A 77 73.031 -5.162 -1.857 1.00 0.00 N ATOM 1146 CA SER A 77 72.349 -6.336 -1.312 1.00 0.00 C ATOM 1147 C SER A 77 72.372 -6.320 0.212 1.00 0.00 C ATOM 1148 O SER A 77 73.325 -5.845 0.829 1.00 0.00 O ATOM 1149 CB SER A 77 73.017 -7.613 -1.833 1.00 0.00 C ATOM 1150 OG SER A 77 74.182 -7.894 -1.067 1.00 0.00 O ATOM 0 H SER A 77 73.874 -4.887 -1.353 1.00 0.00 H new ATOM 0 HA SER A 77 71.309 -6.313 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.321 -8.449 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.281 -7.493 -2.884 1.00 0.00 H new ATOM 0 HG SER A 77 74.605 -8.712 -1.403 1.00 0.00 H new ATOM 1156 N PHE A 78 71.306 -6.845 0.810 1.00 0.00 N ATOM 1157 CA PHE A 78 71.189 -6.903 2.265 1.00 0.00 C ATOM 1158 C PHE A 78 70.338 -8.096 2.657 1.00 0.00 C ATOM 1159 O PHE A 78 69.430 -8.485 1.922 1.00 0.00 O ATOM 1160 CB PHE A 78 70.570 -5.605 2.789 1.00 0.00 C ATOM 1161 CG PHE A 78 69.228 -5.382 2.141 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.055 -5.723 2.826 1.00 0.00 C ATOM 1163 CD2 PHE A 78 69.154 -4.832 0.856 1.00 0.00 C ATOM 1164 CE1 PHE A 78 66.810 -5.515 2.225 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.906 -4.626 0.255 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.735 -4.965 0.942 1.00 0.00 C ATOM 0 H PHE A 78 70.509 -7.237 0.309 1.00 0.00 H new ATOM 0 HA PHE A 78 72.179 -7.016 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.457 -5.656 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.231 -4.765 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.112 -6.146 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 78 70.058 -4.567 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 78 65.905 -5.779 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.847 -4.206 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.772 -4.802 0.481 1.00 0.00 H new ATOM 1176 N HIS A 79 70.635 -8.695 3.805 1.00 0.00 N ATOM 1177 CA HIS A 79 69.876 -9.864 4.238 1.00 0.00 C ATOM 1178 C HIS A 79 70.006 -10.104 5.731 1.00 0.00 C ATOM 1179 O HIS A 79 70.900 -9.583 6.390 1.00 0.00 O ATOM 1180 CB HIS A 79 70.371 -11.095 3.489 1.00 0.00 C ATOM 1181 CG HIS A 79 71.828 -11.304 3.801 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.824 -10.551 3.199 1.00 0.00 N ATOM 1183 CD2 HIS A 79 72.473 -12.158 4.661 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.002 -10.962 3.700 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.845 -11.940 4.597 1.00 0.00 N ATOM 0 H HIS A 79 71.377 -8.400 4.440 1.00 0.00 H new ATOM 0 HA HIS A 79 68.825 -9.678 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 79 69.794 -11.972 3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 79 70.230 -10.965 2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 79 71.988 -12.888 5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 79 74.959 -10.552 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.574 -12.423 5.122 1.00 0.00 H new ATOM 1193 N VAL A 80 69.095 -10.915 6.252 1.00 0.00 N ATOM 1194 CA VAL A 80 69.078 -11.258 7.669 1.00 0.00 C ATOM 1195 C VAL A 80 68.942 -12.772 7.846 1.00 0.00 C ATOM 1196 O VAL A 80 68.218 -13.436 7.104 1.00 0.00 O ATOM 1197 CB VAL A 80 67.926 -10.517 8.349 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.645 -10.699 7.535 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.717 -11.045 9.774 1.00 0.00 C ATOM 0 H VAL A 80 68.351 -11.352 5.708 1.00 0.00 H new ATOM 0 HA VAL A 80 70.016 -10.954 8.134 1.00 0.00 H new ATOM 0 HB VAL A 80 68.173 -9.457 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.826 -10.170 8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.791 -10.297 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.403 -11.760 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.894 -10.507 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.482 -12.109 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.627 -10.895 10.355 1.00 0.00 H new ATOM 1209 N GLY A 81 69.671 -13.306 8.823 1.00 0.00 N ATOM 1210 CA GLY A 81 69.668 -14.743 9.101 1.00 0.00 C ATOM 1211 C GLY A 81 68.298 -15.382 8.876 1.00 0.00 C ATOM 1212 O GLY A 81 68.202 -16.585 8.634 1.00 0.00 O ATOM 0 H GLY A 81 70.275 -12.763 9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.403 -15.234 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.978 -14.910 10.132 1.00 0.00 H new ATOM 1216 N THR A 82 67.246 -14.579 8.969 1.00 0.00 N ATOM 1217 CA THR A 82 65.885 -15.078 8.787 1.00 0.00 C ATOM 1218 C THR A 82 65.501 -15.082 7.312 1.00 0.00 C ATOM 1219 O THR A 82 65.404 -16.136 6.684 1.00 0.00 O ATOM 1220 CB THR A 82 64.912 -14.185 9.554 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.888 -12.899 8.949 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.368 -14.062 11.008 1.00 0.00 C ATOM 0 H THR A 82 67.306 -13.581 9.169 1.00 0.00 H new ATOM 0 HA THR A 82 65.838 -16.100 9.164 1.00 0.00 H new ATOM 0 HB THR A 82 63.913 -14.621 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.026 -12.764 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.673 -13.425 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.391 -15.050 11.467 1.00 0.00 H new ATOM 0 HG23 THR A 82 66.365 -13.623 11.041 1.00 0.00 H new ATOM 1230 N CYS A 83 65.272 -13.888 6.773 1.00 0.00 N ATOM 1231 CA CYS A 83 64.887 -13.729 5.368 1.00 0.00 C ATOM 1232 C CYS A 83 66.032 -13.126 4.557 1.00 0.00 C ATOM 1233 O CYS A 83 67.150 -12.992 5.049 1.00 0.00 O ATOM 1234 CB CYS A 83 63.656 -12.823 5.276 1.00 0.00 C ATOM 1235 SG CYS A 83 62.184 -13.775 5.720 1.00 0.00 S ATOM 0 H CYS A 83 65.346 -13.011 7.288 1.00 0.00 H new ATOM 0 HA CYS A 83 64.654 -14.711 4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.767 -11.969 5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.556 -12.426 4.266 1.00 0.00 H new ATOM 0 HG CYS A 83 61.135 -13.011 5.646 1.00 0.00 H new ATOM 1241 N SER A 84 65.749 -12.772 3.307 1.00 0.00 N ATOM 1242 CA SER A 84 66.771 -12.190 2.441 1.00 0.00 C ATOM 1243 C SER A 84 66.137 -11.363 1.319 1.00 0.00 C ATOM 1244 O SER A 84 64.998 -11.606 0.921 1.00 0.00 O ATOM 1245 CB SER A 84 67.629 -13.306 1.845 1.00 0.00 C ATOM 1246 OG SER A 84 66.853 -14.057 0.920 1.00 0.00 O ATOM 0 H SER A 84 64.831 -12.876 2.874 1.00 0.00 H new ATOM 0 HA SER A 84 67.395 -11.526 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.500 -12.882 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.000 -13.956 2.637 1.00 0.00 H new ATOM 0 HG SER A 84 67.403 -14.772 0.536 1.00 0.00 H new ATOM 1252 N SER A 85 66.894 -10.383 0.818 1.00 0.00 N ATOM 1253 CA SER A 85 66.417 -9.509 -0.255 1.00 0.00 C ATOM 1254 C SER A 85 67.595 -8.977 -1.070 1.00 0.00 C ATOM 1255 O SER A 85 68.716 -8.876 -0.566 1.00 0.00 O ATOM 1256 CB SER A 85 65.637 -8.332 0.330 1.00 0.00 C ATOM 1257 OG SER A 85 65.197 -7.489 -0.726 1.00 0.00 O ATOM 0 H SER A 85 67.840 -10.176 1.139 1.00 0.00 H new ATOM 0 HA SER A 85 65.763 -10.090 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.782 -8.695 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.267 -7.771 1.020 1.00 0.00 H new ATOM 0 HG SER A 85 65.641 -6.618 -0.656 1.00 0.00 H new ATOM 1263 N GLU A 86 67.332 -8.643 -2.337 1.00 0.00 N ATOM 1264 CA GLU A 86 68.372 -8.128 -3.231 1.00 0.00 C ATOM 1265 C GLU A 86 67.861 -6.911 -4.002 1.00 0.00 C ATOM 1266 O GLU A 86 66.667 -6.792 -4.272 1.00 0.00 O ATOM 1267 CB GLU A 86 68.778 -9.225 -4.219 1.00 0.00 C ATOM 1268 CG GLU A 86 69.466 -10.364 -3.461 1.00 0.00 C ATOM 1269 CD GLU A 86 69.783 -11.513 -4.414 1.00 0.00 C ATOM 1270 OE1 GLU A 86 70.381 -12.479 -3.966 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.421 -11.413 -5.573 1.00 0.00 O1- ATOM 0 H GLU A 86 66.410 -8.720 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 86 69.233 -7.827 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 86 67.899 -9.601 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.450 -8.818 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 86 70.384 -10.001 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.821 -10.717 -2.656 1.00 0.00 H new ATOM 1278 N ALA A 87 68.778 -6.011 -4.361 1.00 0.00 N ATOM 1279 CA ALA A 87 68.422 -4.799 -5.108 1.00 0.00 C ATOM 1280 C ALA A 87 69.479 -4.514 -6.168 1.00 0.00 C ATOM 1281 O ALA A 87 70.651 -4.828 -5.976 1.00 0.00 O ATOM 1282 CB ALA A 87 68.320 -3.606 -4.156 1.00 0.00 C ATOM 0 H ALA A 87 69.772 -6.096 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 87 67.458 -4.955 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 87 68.055 -2.712 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.553 -3.803 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.279 -3.452 -3.661 1.00 0.00 H new ATOM 1288 N GLN A 88 69.061 -3.925 -7.293 1.00 0.00 N ATOM 1289 CA GLN A 88 69.990 -3.613 -8.390 1.00 0.00 C ATOM 1290 C GLN A 88 69.954 -2.129 -8.760 1.00 0.00 C ATOM 1291 O GLN A 88 68.894 -1.577 -9.074 1.00 0.00 O ATOM 1292 CB GLN A 88 69.631 -4.451 -9.623 1.00 0.00 C ATOM 1293 CG GLN A 88 69.996 -5.918 -9.376 1.00 0.00 C ATOM 1294 CD GLN A 88 69.622 -6.771 -10.588 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.836 -6.361 -11.729 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.090 -7.949 -10.403 1.00 0.00 N ATOM 0 H GLN A 88 68.093 -3.655 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 88 70.997 -3.853 -8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.566 -4.363 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.164 -4.076 -10.497 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.064 -6.005 -9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.476 -6.285 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 88 68.914 -8.286 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 88 68.851 -8.532 -11.205 1.00 0.00 H new ATOM 1305 N LEU A 89 71.133 -1.495 -8.745 1.00 0.00 N ATOM 1306 CA LEU A 89 71.256 -0.077 -9.105 1.00 0.00 C ATOM 1307 C LEU A 89 72.053 0.057 -10.393 1.00 0.00 C ATOM 1308 O LEU A 89 73.284 -0.007 -10.391 1.00 0.00 O ATOM 1309 CB LEU A 89 71.974 0.704 -7.991 1.00 0.00 C ATOM 1310 CG LEU A 89 71.809 2.227 -8.217 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.510 2.725 -7.574 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.987 2.978 -7.584 1.00 0.00 C ATOM 0 H LEU A 89 72.014 -1.941 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 89 70.255 0.332 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.565 0.426 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.032 0.443 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 89 71.779 2.412 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.409 3.797 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 89 69.661 2.206 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.535 2.526 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.865 4.049 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.015 2.774 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.919 2.645 -8.042 1.00 0.00 H new ATOM 1324 N LYS A 90 71.339 0.259 -11.490 1.00 0.00 N ATOM 1325 CA LYS A 90 71.959 0.424 -12.799 1.00 0.00 C ATOM 1326 C LYS A 90 71.840 1.882 -13.225 1.00 0.00 C ATOM 1327 O LYS A 90 71.177 2.674 -12.556 1.00 0.00 O ATOM 1328 CB LYS A 90 71.269 -0.490 -13.813 1.00 0.00 C ATOM 1329 CG LYS A 90 69.763 -0.520 -13.523 1.00 0.00 C ATOM 1330 CD LYS A 90 69.012 -1.110 -14.718 1.00 0.00 C ATOM 1331 CE LYS A 90 69.323 -2.602 -14.848 1.00 0.00 C ATOM 1332 NZ LYS A 90 68.441 -3.196 -15.888 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.320 0.313 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 90 73.013 0.152 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 90 71.449 -0.130 -14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.683 -1.497 -13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 69.568 -1.115 -12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 90 69.403 0.489 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 90 67.939 -0.964 -14.592 1.00 0.00 H new ATOM 0 HD3 LYS A 90 69.300 -0.589 -15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.370 -2.746 -15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 90 69.167 -3.103 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 68.648 -4.211 -15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 67.446 -3.070 -15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.611 -2.723 -16.799 1.00 0.00 H new ATOM 1346 N VAL A 91 72.497 2.242 -14.324 1.00 0.00 N ATOM 1347 CA VAL A 91 72.471 3.624 -14.812 1.00 0.00 C ATOM 1348 C VAL A 91 72.092 3.688 -16.287 1.00 0.00 C ATOM 1349 O VAL A 91 72.221 2.709 -17.025 1.00 0.00 O ATOM 1350 CB VAL A 91 73.845 4.268 -14.611 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.121 4.439 -13.115 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.925 3.374 -15.224 1.00 0.00 C ATOM 0 H VAL A 91 73.052 1.603 -14.893 1.00 0.00 H new ATOM 0 HA VAL A 91 71.717 4.167 -14.242 1.00 0.00 H new ATOM 0 HB VAL A 91 73.858 5.243 -15.097 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.100 4.898 -12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.355 5.077 -12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.105 3.464 -12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.903 3.834 -15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.908 2.398 -14.739 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.735 3.252 -16.290 1.00 0.00 H new ATOM 1362 N THR A 92 71.615 4.862 -16.698 1.00 0.00 N ATOM 1363 CA THR A 92 71.199 5.096 -18.084 1.00 0.00 C ATOM 1364 C THR A 92 72.117 6.111 -18.760 1.00 0.00 C ATOM 1365 O THR A 92 72.388 7.183 -18.218 1.00 0.00 O ATOM 1366 CB THR A 92 69.755 5.611 -18.120 1.00 0.00 C ATOM 1367 OG1 THR A 92 69.455 6.073 -19.430 1.00 0.00 O ATOM 1368 CG2 THR A 92 69.577 6.762 -17.122 1.00 0.00 C ATOM 0 H THR A 92 71.506 5.672 -16.088 1.00 0.00 H new ATOM 0 HA THR A 92 71.262 4.150 -18.623 1.00 0.00 H new ATOM 0 HB THR A 92 69.081 4.799 -17.848 1.00 0.00 H new ATOM 0 HG1 THR A 92 68.532 6.402 -19.458 1.00 0.00 H new ATOM 0 HG21 THR A 92 68.548 7.118 -17.158 1.00 0.00 H new ATOM 0 HG22 THR A 92 69.804 6.410 -16.116 1.00 0.00 H new ATOM 0 HG23 THR A 92 70.252 7.577 -17.382 1.00 0.00 H new