USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 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 -170:sc= -0.74! USER MOD Set 1.2: A 29 SER OG : rot -159:sc= -1.65! USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0953 (180deg=-0.864) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00937 (180deg=-0.221) USER MOD Single : A 12 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.32) USER MOD Single : A 15 GLN : amide:sc= -10.9! C(o=-11!,f=-6.5!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.149 USER MOD Single : A 20 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 26 CYS SG : rot 10:sc= 0.0846 USER MOD Single : A 32 SER OG : rot -162:sc= 0.954 USER MOD Single : A 34 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.7!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.4!) USER MOD Single : A 50 MET CE :methyl 156:sc= -0.154 (180deg=-1.09) USER MOD Single : A 51 ASN : amide:sc= -0.554 K(o=-0.55,f=-3.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.158 K(o=-0.16,f=-1) USER MOD Single : A 59 THR OG1 : rot -28:sc= 0.521 USER MOD Single : A 61 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-3.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc=-0.00665 X(o=-0.0067,f=-0.21) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0315 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= -0.746 K(o=-0.75,f=-2.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 83 CYS SG : rot 31:sc= -0.692 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.41 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.276 -10.809 22.349 1.00 0.00 N ATOM 2 CA MET A 1 56.238 -11.608 23.157 1.00 0.00 C ATOM 3 C MET A 1 57.579 -11.652 22.433 1.00 0.00 C ATOM 4 O MET A 1 58.637 -11.596 23.063 1.00 0.00 O ATOM 5 CB MET A 1 55.684 -13.023 23.334 1.00 0.00 C ATOM 6 CG MET A 1 56.436 -13.740 24.457 1.00 0.00 C ATOM 7 SD MET A 1 55.871 -15.458 24.572 1.00 0.00 S ATOM 8 CE MET A 1 54.190 -15.130 25.166 1.00 0.00 C ATOM 0 H1 MET A 1 54.454 -10.559 22.935 1.00 0.00 H new ATOM 0 H2 MET A 1 55.741 -9.941 22.015 1.00 0.00 H new ATOM 0 H3 MET A 1 54.960 -11.369 21.532 1.00 0.00 H new ATOM 0 HA MET A 1 56.378 -11.154 24.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.620 -12.980 23.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 55.784 -13.581 22.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.509 -13.712 24.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 56.268 -13.228 25.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 53.815 -16.005 25.697 1.00 0.00 H new ATOM 0 HE2 MET A 1 54.203 -14.274 25.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.540 -14.914 24.318 1.00 0.00 H new ATOM 20 N ALA A 2 57.530 -11.747 21.107 1.00 0.00 N ATOM 21 CA ALA A 2 58.753 -11.793 20.312 1.00 0.00 C ATOM 22 C ALA A 2 58.453 -11.538 18.834 1.00 0.00 C ATOM 23 O ALA A 2 58.412 -12.471 18.033 1.00 0.00 O ATOM 24 CB ALA A 2 59.420 -13.161 20.465 1.00 0.00 C ATOM 0 H ALA A 2 56.667 -11.793 20.565 1.00 0.00 H new ATOM 0 HA ALA A 2 59.423 -11.013 20.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 60.332 -13.190 19.869 1.00 0.00 H new ATOM 0 HB2 ALA A 2 59.666 -13.331 21.513 1.00 0.00 H new ATOM 0 HB3 ALA A 2 58.738 -13.939 20.121 1.00 0.00 H new ATOM 30 N PRO A 3 58.254 -10.296 18.460 1.00 0.00 N ATOM 31 CA PRO A 3 57.965 -9.921 17.048 1.00 0.00 C ATOM 32 C PRO A 3 59.176 -10.165 16.141 1.00 0.00 C ATOM 33 O PRO A 3 60.322 -10.030 16.568 1.00 0.00 O ATOM 34 CB PRO A 3 57.564 -8.427 17.101 1.00 0.00 C ATOM 35 CG PRO A 3 57.572 -8.025 18.556 1.00 0.00 C ATOM 36 CD PRO A 3 58.299 -9.126 19.341 1.00 0.00 C ATOM 0 HA PRO A 3 57.169 -10.530 16.619 1.00 0.00 H new ATOM 0 HB2 PRO A 3 58.263 -7.818 16.528 1.00 0.00 H new ATOM 0 HB3 PRO A 3 56.577 -8.276 16.663 1.00 0.00 H new ATOM 0 HG2 PRO A 3 58.076 -7.067 18.685 1.00 0.00 H new ATOM 0 HG3 PRO A 3 56.554 -7.902 18.924 1.00 0.00 H new ATOM 0 HD2 PRO A 3 59.326 -8.839 19.568 1.00 0.00 H new ATOM 0 HD3 PRO A 3 57.806 -9.326 20.292 1.00 0.00 H new ATOM 44 N GLU A 4 58.902 -10.535 14.892 1.00 0.00 N ATOM 45 CA GLU A 4 59.957 -10.814 13.916 1.00 0.00 C ATOM 46 C GLU A 4 60.378 -9.537 13.183 1.00 0.00 C ATOM 47 O GLU A 4 59.615 -8.577 13.098 1.00 0.00 O ATOM 48 CB GLU A 4 59.443 -11.851 12.909 1.00 0.00 C ATOM 49 CG GLU A 4 60.561 -12.247 11.942 1.00 0.00 C ATOM 50 CD GLU A 4 60.066 -13.330 10.992 1.00 0.00 C ATOM 51 OE1 GLU A 4 58.967 -13.188 10.481 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.795 -14.285 10.783 1.00 0.00 O1- ATOM 0 H GLU A 4 57.955 -10.649 14.529 1.00 0.00 H new ATOM 0 HA GLU A 4 60.830 -11.204 14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.080 -12.733 13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 4 58.599 -11.442 12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.889 -11.376 11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.425 -12.608 12.500 1.00 0.00 H new ATOM 59 N VAL A 5 61.595 -9.541 12.646 1.00 0.00 N ATOM 60 CA VAL A 5 62.109 -8.388 11.908 1.00 0.00 C ATOM 61 C VAL A 5 61.197 -8.109 10.713 1.00 0.00 C ATOM 62 O VAL A 5 60.841 -9.034 9.985 1.00 0.00 O ATOM 63 CB VAL A 5 63.528 -8.707 11.400 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.241 -7.403 11.020 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.328 -9.475 12.487 1.00 0.00 C ATOM 0 H VAL A 5 62.243 -10.326 12.707 1.00 0.00 H new ATOM 0 HA VAL A 5 62.138 -7.515 12.560 1.00 0.00 H new ATOM 0 HB VAL A 5 63.461 -9.342 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.245 -7.629 10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.680 -6.897 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.306 -6.756 11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.329 -9.694 12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.401 -8.863 13.386 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.817 -10.408 12.724 1.00 0.00 H new ATOM 75 N THR A 6 60.803 -6.848 10.499 1.00 0.00 N ATOM 76 CA THR A 6 59.914 -6.560 9.359 1.00 0.00 C ATOM 77 C THR A 6 60.728 -6.311 8.099 1.00 0.00 C ATOM 78 O THR A 6 61.562 -5.409 8.057 1.00 0.00 O ATOM 79 CB THR A 6 59.031 -5.340 9.636 1.00 0.00 C ATOM 80 OG1 THR A 6 58.267 -5.551 10.817 1.00 0.00 O ATOM 81 CG2 THR A 6 58.083 -5.116 8.456 1.00 0.00 C ATOM 0 H THR A 6 61.068 -6.043 11.067 1.00 0.00 H new ATOM 0 HA THR A 6 59.274 -7.431 9.216 1.00 0.00 H new ATOM 0 HB THR A 6 59.667 -4.465 9.769 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.594 -4.843 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.455 -4.248 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.664 -4.945 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.454 -5.996 8.323 1.00 0.00 H new ATOM 89 N ILE A 7 60.483 -7.123 7.068 1.00 0.00 N ATOM 90 CA ILE A 7 61.206 -6.986 5.806 1.00 0.00 C ATOM 91 C ILE A 7 60.321 -6.352 4.737 1.00 0.00 C ATOM 92 O ILE A 7 59.507 -7.029 4.108 1.00 0.00 O ATOM 93 CB ILE A 7 61.653 -8.361 5.314 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.272 -9.159 6.471 1.00 0.00 C ATOM 95 CG2 ILE A 7 62.683 -8.199 4.195 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.383 -8.345 7.146 1.00 0.00 C ATOM 0 H ILE A 7 59.795 -7.876 7.083 1.00 0.00 H new ATOM 0 HA ILE A 7 62.071 -6.346 5.982 1.00 0.00 H new ATOM 0 HB ILE A 7 60.785 -8.900 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 7 61.502 -9.411 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.677 -10.099 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 7 62.999 -9.182 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.237 -7.647 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.547 -7.652 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 7 63.812 -8.924 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.160 -8.116 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 7 62.967 -7.417 7.537 1.00 0.00 H new ATOM 108 N LEU A 8 60.516 -5.062 4.515 1.00 0.00 N ATOM 109 CA LEU A 8 59.771 -4.324 3.494 1.00 0.00 C ATOM 110 C LEU A 8 60.757 -3.583 2.609 1.00 0.00 C ATOM 111 O LEU A 8 61.139 -2.449 2.897 1.00 0.00 O ATOM 112 CB LEU A 8 58.800 -3.334 4.144 1.00 0.00 C ATOM 113 CG LEU A 8 57.586 -4.075 4.733 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.788 -3.105 5.614 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.678 -4.614 3.604 1.00 0.00 C ATOM 0 H LEU A 8 61.189 -4.495 5.031 1.00 0.00 H new ATOM 0 HA LEU A 8 59.188 -5.024 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 8 59.311 -2.778 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.465 -2.606 3.405 1.00 0.00 H new ATOM 0 HG LEU A 8 57.938 -4.919 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.926 -3.622 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.423 -2.740 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.447 -2.263 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.825 -5.135 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.323 -3.783 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.245 -5.305 2.980 1.00 0.00 H new ATOM 127 N GLU A 9 61.188 -4.245 1.541 1.00 0.00 N ATOM 128 CA GLU A 9 62.160 -3.668 0.613 1.00 0.00 C ATOM 129 C GLU A 9 61.578 -3.572 -0.798 1.00 0.00 C ATOM 130 O GLU A 9 61.806 -4.446 -1.632 1.00 0.00 O ATOM 131 CB GLU A 9 63.429 -4.535 0.593 1.00 0.00 C ATOM 132 CG GLU A 9 63.073 -6.027 0.467 1.00 0.00 C ATOM 133 CD GLU A 9 64.282 -6.874 0.843 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.100 -7.862 1.536 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.374 -6.523 0.434 1.00 0.00 O1- ATOM 0 H GLU A 9 60.880 -5.185 1.294 1.00 0.00 H new ATOM 0 HA GLU A 9 62.407 -2.662 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 9 64.065 -4.237 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 9 64.002 -4.369 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.232 -6.267 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.762 -6.252 -0.553 1.00 0.00 H new ATOM 142 N PRO A 10 60.845 -2.524 -1.089 1.00 0.00 N ATOM 143 CA PRO A 10 60.245 -2.326 -2.434 1.00 0.00 C ATOM 144 C PRO A 10 61.308 -1.983 -3.476 1.00 0.00 C ATOM 145 O PRO A 10 60.986 -1.579 -4.593 1.00 0.00 O ATOM 146 CB PRO A 10 59.224 -1.176 -2.254 1.00 0.00 C ATOM 147 CG PRO A 10 59.281 -0.763 -0.802 1.00 0.00 C ATOM 148 CD PRO A 10 60.514 -1.424 -0.176 1.00 0.00 C ATOM 0 HA PRO A 10 59.766 -3.233 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.469 -0.336 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.220 -1.505 -2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.344 0.322 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.375 -1.073 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.341 -0.719 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.301 -1.792 0.828 1.00 0.00 H new ATOM 156 N LEU A 11 62.573 -2.148 -3.107 1.00 0.00 N ATOM 157 CA LEU A 11 63.660 -1.855 -4.030 1.00 0.00 C ATOM 158 C LEU A 11 63.684 -2.903 -5.132 1.00 0.00 C ATOM 159 O LEU A 11 64.618 -3.701 -5.224 1.00 0.00 O ATOM 160 CB LEU A 11 65.007 -1.864 -3.297 1.00 0.00 C ATOM 161 CG LEU A 11 65.154 -0.601 -2.441 1.00 0.00 C ATOM 162 CD1 LEU A 11 64.079 -0.579 -1.349 1.00 0.00 C ATOM 163 CD2 LEU A 11 66.534 -0.605 -1.785 1.00 0.00 C ATOM 0 H LEU A 11 62.868 -2.478 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 11 63.497 -0.866 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.080 -2.750 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.822 -1.919 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 11 65.039 0.279 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.191 0.322 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.091 -0.586 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.188 -1.457 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.649 0.290 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.635 -1.490 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 67.304 -0.618 -2.557 1.00 0.00 H new ATOM 175 N GLN A 12 62.650 -2.900 -5.965 1.00 0.00 N ATOM 176 CA GLN A 12 62.568 -3.861 -7.051 1.00 0.00 C ATOM 177 C GLN A 12 63.614 -3.553 -8.110 1.00 0.00 C ATOM 178 O GLN A 12 64.283 -4.459 -8.605 1.00 0.00 O ATOM 179 CB GLN A 12 61.168 -3.837 -7.672 1.00 0.00 C ATOM 180 CG GLN A 12 60.148 -4.373 -6.660 1.00 0.00 C ATOM 181 CD GLN A 12 60.407 -5.856 -6.379 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.509 -6.659 -7.307 1.00 0.00 O ATOM 183 NE2 GLN A 12 60.517 -6.269 -5.143 1.00 0.00 N ATOM 0 H GLN A 12 61.866 -2.250 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 12 62.760 -4.856 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 12 60.906 -2.820 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.150 -4.443 -8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.212 -3.804 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 12 59.138 -4.240 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 12 60.433 -5.604 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 60.687 -7.256 -4.948 1.00 0.00 H new ATOM 192 N ASP A 13 63.764 -2.272 -8.441 1.00 0.00 N ATOM 193 CA ASP A 13 64.751 -1.866 -9.436 1.00 0.00 C ATOM 194 C ASP A 13 64.817 -0.345 -9.552 1.00 0.00 C ATOM 195 O ASP A 13 63.791 0.334 -9.553 1.00 0.00 O ATOM 196 CB ASP A 13 64.399 -2.454 -10.805 1.00 0.00 C ATOM 197 CG ASP A 13 65.566 -2.256 -11.764 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.486 -2.754 -12.872 1.00 0.00 O ATOM 199 OD2 ASP A 13 66.523 -1.607 -11.372 1.00 0.00 O1- ATOM 0 H ASP A 13 63.222 -1.507 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 13 65.722 -2.241 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.172 -3.516 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.505 -1.971 -11.200 1.00 0.00 H new ATOM 204 N VAL A 14 66.036 0.183 -9.666 1.00 0.00 N ATOM 205 CA VAL A 14 66.249 1.628 -9.802 1.00 0.00 C ATOM 206 C VAL A 14 67.116 1.899 -11.033 1.00 0.00 C ATOM 207 O VAL A 14 68.152 1.263 -11.213 1.00 0.00 O ATOM 208 CB VAL A 14 66.945 2.171 -8.544 1.00 0.00 C ATOM 209 CG1 VAL A 14 67.412 3.610 -8.773 1.00 0.00 C ATOM 210 CG2 VAL A 14 65.966 2.145 -7.367 1.00 0.00 C ATOM 0 H VAL A 14 66.894 -0.368 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 14 65.287 2.128 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 14 67.810 1.545 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 67.903 3.981 -7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 14 68.114 3.636 -9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 66.552 4.239 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.460 2.530 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 14 65.101 2.766 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.640 1.121 -7.188 1.00 0.00 H new ATOM 220 N GLN A 15 66.696 2.845 -11.881 1.00 0.00 N ATOM 221 CA GLN A 15 67.462 3.178 -13.090 1.00 0.00 C ATOM 222 C GLN A 15 67.546 4.693 -13.287 1.00 0.00 C ATOM 223 O GLN A 15 66.591 5.322 -13.742 1.00 0.00 O ATOM 224 CB GLN A 15 66.811 2.539 -14.322 1.00 0.00 C ATOM 225 CG GLN A 15 66.356 1.112 -13.993 1.00 0.00 C ATOM 226 CD GLN A 15 65.037 1.149 -13.226 1.00 0.00 C ATOM 227 OE1 GLN A 15 64.141 1.918 -13.572 1.00 0.00 O ATOM 228 NE2 GLN A 15 64.866 0.363 -12.200 1.00 0.00 N ATOM 0 H GLN A 15 65.841 3.388 -11.756 1.00 0.00 H new ATOM 0 HA GLN A 15 68.471 2.785 -12.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.958 3.136 -14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.519 2.522 -15.150 1.00 0.00 H new ATOM 0 HG2 GLN A 15 66.236 0.539 -14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 15 67.118 0.606 -13.399 1.00 0.00 H new ATOM 0 HE21 GLN A 15 65.611 -0.273 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 15 63.988 0.385 -11.682 1.00 0.00 H new ATOM 237 N LEU A 16 68.706 5.261 -12.948 1.00 0.00 N ATOM 238 CA LEU A 16 68.945 6.705 -13.082 1.00 0.00 C ATOM 239 C LEU A 16 70.116 6.962 -14.035 1.00 0.00 C ATOM 240 O LEU A 16 71.074 6.188 -14.078 1.00 0.00 O ATOM 241 CB LEU A 16 69.266 7.316 -11.703 1.00 0.00 C ATOM 242 CG LEU A 16 67.975 7.664 -10.933 1.00 0.00 C ATOM 243 CD1 LEU A 16 67.217 8.819 -11.626 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.070 6.423 -10.827 1.00 0.00 C ATOM 0 H LEU A 16 69.501 4.741 -12.576 1.00 0.00 H new ATOM 0 HA LEU A 16 68.045 7.170 -13.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.862 6.613 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.869 8.215 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 16 68.251 7.989 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 66.310 9.047 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 67.854 9.703 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 66.951 8.523 -12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 16 66.162 6.680 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 16 66.807 6.078 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 16 67.599 5.631 -10.297 1.00 0.00 H new ATOM 256 N SER A 17 70.040 8.063 -14.782 1.00 0.00 N ATOM 257 CA SER A 17 71.108 8.420 -15.713 1.00 0.00 C ATOM 258 C SER A 17 72.240 9.127 -14.969 1.00 0.00 C ATOM 259 O SER A 17 72.056 9.594 -13.845 1.00 0.00 O ATOM 260 CB SER A 17 70.566 9.331 -16.815 1.00 0.00 C ATOM 261 OG SER A 17 71.617 9.651 -17.717 1.00 0.00 O ATOM 0 H SER A 17 69.258 8.717 -14.761 1.00 0.00 H new ATOM 0 HA SER A 17 71.495 7.507 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.753 8.835 -17.346 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.154 10.242 -16.380 1.00 0.00 H new ATOM 0 HG SER A 17 71.273 10.234 -18.426 1.00 0.00 H new ATOM 267 N GLU A 18 73.407 9.194 -15.599 1.00 0.00 N ATOM 268 CA GLU A 18 74.568 9.835 -14.986 1.00 0.00 C ATOM 269 C GLU A 18 74.301 11.312 -14.712 1.00 0.00 C ATOM 270 O GLU A 18 73.727 12.016 -15.544 1.00 0.00 O ATOM 271 CB GLU A 18 75.784 9.692 -15.909 1.00 0.00 C ATOM 272 CG GLU A 18 77.032 10.249 -15.215 1.00 0.00 C ATOM 273 CD GLU A 18 78.272 9.951 -16.054 1.00 0.00 C ATOM 274 OE1 GLU A 18 79.300 10.556 -15.795 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.180 9.119 -16.940 1.00 0.00 O1- ATOM 0 H GLU A 18 73.576 8.814 -16.531 1.00 0.00 H new ATOM 0 HA GLU A 18 74.768 9.342 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.937 8.643 -16.165 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.608 10.225 -16.843 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.929 11.325 -15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.137 9.805 -14.225 1.00 0.00 H new ATOM 282 N GLY A 19 74.730 11.776 -13.539 1.00 0.00 N ATOM 283 CA GLY A 19 74.542 13.175 -13.163 1.00 0.00 C ATOM 284 C GLY A 19 73.178 13.409 -12.514 1.00 0.00 C ATOM 285 O GLY A 19 72.837 14.541 -12.172 1.00 0.00 O ATOM 0 H GLY A 19 75.206 11.208 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.330 13.475 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.637 13.805 -14.047 1.00 0.00 H new ATOM 289 N GLN A 20 72.400 12.340 -12.343 1.00 0.00 N ATOM 290 CA GLN A 20 71.072 12.456 -11.725 1.00 0.00 C ATOM 291 C GLN A 20 71.137 12.120 -10.242 1.00 0.00 C ATOM 292 O GLN A 20 72.130 11.578 -9.761 1.00 0.00 O ATOM 293 CB GLN A 20 70.082 11.514 -12.415 1.00 0.00 C ATOM 294 CG GLN A 20 69.897 11.933 -13.875 1.00 0.00 C ATOM 295 CD GLN A 20 69.253 13.313 -13.955 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.229 13.560 -13.319 1.00 0.00 O ATOM 297 NE2 GLN A 20 69.796 14.232 -14.705 1.00 0.00 N ATOM 0 H GLN A 20 72.659 11.393 -12.619 1.00 0.00 H new ATOM 0 HA GLN A 20 70.735 13.486 -11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.447 10.488 -12.365 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.123 11.536 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 20 70.862 11.945 -14.381 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.274 11.204 -14.393 1.00 0.00 H new ATOM 0 HE21 GLN A 20 70.645 14.025 -15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 20 69.372 15.158 -14.765 1.00 0.00 H new ATOM 306 N ASP A 21 70.067 12.450 -9.524 1.00 0.00 N ATOM 307 CA ASP A 21 70.001 12.183 -8.092 1.00 0.00 C ATOM 308 C ASP A 21 69.653 10.723 -7.834 1.00 0.00 C ATOM 309 O ASP A 21 68.984 10.082 -8.644 1.00 0.00 O ATOM 310 CB ASP A 21 68.950 13.087 -7.443 1.00 0.00 C ATOM 311 CG ASP A 21 67.593 12.884 -8.109 1.00 0.00 C ATOM 312 OD1 ASP A 21 67.441 11.900 -8.812 1.00 0.00 O ATOM 313 OD2 ASP A 21 66.725 13.721 -7.908 1.00 0.00 O1- ATOM 0 H ASP A 21 69.237 12.901 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 21 70.978 12.391 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 21 68.877 12.865 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 21 69.253 14.130 -7.531 1.00 0.00 H new ATOM 318 N ALA A 22 70.109 10.198 -6.701 1.00 0.00 N ATOM 319 CA ALA A 22 69.835 8.811 -6.348 1.00 0.00 C ATOM 320 C ALA A 22 69.655 8.676 -4.846 1.00 0.00 C ATOM 321 O ALA A 22 70.342 9.334 -4.067 1.00 0.00 O ATOM 322 CB ALA A 22 70.988 7.922 -6.807 1.00 0.00 C ATOM 0 H ALA A 22 70.666 10.709 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 22 68.916 8.499 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.777 6.886 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.101 8.002 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.910 8.242 -6.321 1.00 0.00 H new ATOM 328 N SER A 23 68.722 7.822 -4.454 1.00 0.00 N ATOM 329 CA SER A 23 68.444 7.596 -3.044 1.00 0.00 C ATOM 330 C SER A 23 67.669 6.296 -2.869 1.00 0.00 C ATOM 331 O SER A 23 67.077 5.785 -3.821 1.00 0.00 O ATOM 332 CB SER A 23 67.638 8.764 -2.476 1.00 0.00 C ATOM 333 OG SER A 23 66.365 8.810 -3.107 1.00 0.00 O ATOM 0 H SER A 23 68.145 7.274 -5.092 1.00 0.00 H new ATOM 0 HA SER A 23 69.388 7.522 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.518 8.648 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 23 68.171 9.701 -2.638 1.00 0.00 H new ATOM 0 HG SER A 23 65.846 9.557 -2.743 1.00 0.00 H new ATOM 339 N PHE A 24 67.678 5.761 -1.650 1.00 0.00 N ATOM 340 CA PHE A 24 66.977 4.511 -1.354 1.00 0.00 C ATOM 341 C PHE A 24 66.148 4.648 -0.083 1.00 0.00 C ATOM 342 O PHE A 24 66.496 5.408 0.821 1.00 0.00 O ATOM 343 CB PHE A 24 67.993 3.385 -1.167 1.00 0.00 C ATOM 344 CG PHE A 24 68.641 3.054 -2.487 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.877 3.619 -2.822 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.008 2.176 -3.371 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.483 3.300 -4.043 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.613 1.859 -4.592 1.00 0.00 C ATOM 349 CZ PHE A 24 69.850 2.421 -4.929 1.00 0.00 C ATOM 0 H PHE A 24 68.162 6.172 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 24 66.314 4.282 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.752 3.685 -0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.499 2.501 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 24 70.363 4.300 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.053 1.743 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.439 3.732 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.125 1.180 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.316 2.176 -5.872 1.00 0.00 H new ATOM 359 N GLN A 25 65.052 3.896 -0.012 1.00 0.00 N ATOM 360 CA GLN A 25 64.180 3.927 1.159 1.00 0.00 C ATOM 361 C GLN A 25 63.778 2.510 1.534 1.00 0.00 C ATOM 362 O GLN A 25 63.231 1.768 0.717 1.00 0.00 O ATOM 363 CB GLN A 25 62.928 4.751 0.859 1.00 0.00 C ATOM 364 CG GLN A 25 63.326 6.210 0.623 1.00 0.00 C ATOM 365 CD GLN A 25 62.107 7.033 0.218 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.986 6.528 0.229 1.00 0.00 O ATOM 367 NE2 GLN A 25 62.260 8.278 -0.144 1.00 0.00 N ATOM 0 H GLN A 25 64.748 3.260 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 25 64.718 4.385 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.420 4.354 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.227 4.684 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.768 6.624 1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 25 64.086 6.265 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 25 63.190 8.696 -0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.449 8.833 -0.418 1.00 0.00 H new ATOM 376 N CYS A 26 64.059 2.139 2.777 1.00 0.00 N ATOM 377 CA CYS A 26 63.733 0.803 3.274 1.00 0.00 C ATOM 378 C CYS A 26 63.087 0.895 4.654 1.00 0.00 C ATOM 379 O CYS A 26 63.579 1.601 5.536 1.00 0.00 O ATOM 380 CB CYS A 26 65.007 -0.046 3.352 1.00 0.00 C ATOM 381 SG CYS A 26 64.568 -1.799 3.459 1.00 0.00 S ATOM 0 H CYS A 26 64.512 2.743 3.462 1.00 0.00 H new ATOM 0 HA CYS A 26 63.029 0.334 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.627 0.130 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.596 0.245 4.222 1.00 0.00 H new ATOM 0 HG CYS A 26 63.294 -1.941 3.242 1.00 0.00 H new ATOM 387 N ARG A 27 61.983 0.172 4.829 1.00 0.00 N ATOM 388 CA ARG A 27 61.257 0.158 6.101 1.00 0.00 C ATOM 389 C ARG A 27 61.533 -1.146 6.837 1.00 0.00 C ATOM 390 O ARG A 27 60.998 -2.190 6.459 1.00 0.00 O ATOM 391 CB ARG A 27 59.756 0.254 5.833 1.00 0.00 C ATOM 392 CG ARG A 27 59.408 1.604 5.210 1.00 0.00 C ATOM 393 CD ARG A 27 57.904 1.640 4.925 1.00 0.00 C ATOM 394 NE ARG A 27 57.551 0.635 3.923 1.00 0.00 N ATOM 395 CZ ARG A 27 57.658 0.880 2.623 1.00 0.00 C ATOM 396 NH1 ARG A 27 58.712 0.473 1.970 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 56.705 1.523 1.999 1.00 0.00 N ATOM 0 H ARG A 27 61.569 -0.414 4.104 1.00 0.00 H new ATOM 0 HA ARG A 27 61.586 1.003 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.448 -0.551 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.205 0.124 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.684 2.414 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.971 1.751 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.349 1.456 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.618 2.631 4.572 1.00 0.00 H new ATOM 0 HE ARG A 27 57.214 -0.277 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.451 -0.032 2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 27 58.797 0.660 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.880 1.836 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 27 56.786 1.712 1.000 1.00 0.00 H new ATOM 411 N LEU A 28 62.370 -1.101 7.884 1.00 0.00 N ATOM 412 CA LEU A 28 62.695 -2.321 8.640 1.00 0.00 C ATOM 413 C LEU A 28 62.379 -2.166 10.120 1.00 0.00 C ATOM 414 O LEU A 28 62.939 -1.308 10.801 1.00 0.00 O ATOM 415 CB LEU A 28 64.181 -2.650 8.473 1.00 0.00 C ATOM 416 CG LEU A 28 64.504 -2.871 6.989 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.014 -3.066 6.834 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.765 -4.117 6.462 1.00 0.00 C ATOM 0 H LEU A 28 62.826 -0.253 8.222 1.00 0.00 H new ATOM 0 HA LEU A 28 62.082 -3.131 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.789 -1.837 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.431 -3.543 9.045 1.00 0.00 H new ATOM 0 HG LEU A 28 64.179 -2.003 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.254 -3.224 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.534 -2.179 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.330 -3.934 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.003 -4.262 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.079 -4.993 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.690 -3.978 6.575 1.00 0.00 H new ATOM 430 N SER A 29 61.506 -3.040 10.623 1.00 0.00 N ATOM 431 CA SER A 29 61.161 -3.023 12.035 1.00 0.00 C ATOM 432 C SER A 29 62.314 -3.622 12.806 1.00 0.00 C ATOM 433 O SER A 29 63.181 -4.277 12.218 1.00 0.00 O ATOM 434 CB SER A 29 59.889 -3.815 12.332 1.00 0.00 C ATOM 435 OG SER A 29 60.141 -5.194 12.118 1.00 0.00 O ATOM 0 H SER A 29 61.032 -3.759 10.076 1.00 0.00 H new ATOM 0 HA SER A 29 60.974 -1.991 12.332 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.572 -3.646 13.361 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.077 -3.477 11.689 1.00 0.00 H new ATOM 0 HG SER A 29 59.293 -5.663 11.975 1.00 0.00 H new ATOM 441 N ARG A 30 62.318 -3.383 14.106 1.00 0.00 N ATOM 442 CA ARG A 30 63.389 -3.847 14.978 1.00 0.00 C ATOM 443 C ARG A 30 63.697 -5.326 14.818 1.00 0.00 C ATOM 444 O ARG A 30 62.830 -6.139 14.494 1.00 0.00 O ATOM 445 CB ARG A 30 62.989 -3.570 16.424 1.00 0.00 C ATOM 446 CG ARG A 30 61.773 -4.428 16.808 1.00 0.00 C ATOM 447 CD ARG A 30 61.332 -4.078 18.231 1.00 0.00 C ATOM 448 NE ARG A 30 60.219 -4.934 18.641 1.00 0.00 N ATOM 449 CZ ARG A 30 58.953 -4.572 18.442 1.00 0.00 C ATOM 450 NH1 ARG A 30 58.210 -4.243 19.459 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 58.458 -4.544 17.235 1.00 0.00 N ATOM 0 H ARG A 30 61.583 -2.864 14.587 1.00 0.00 H new ATOM 0 HA ARG A 30 64.294 -3.307 14.700 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.824 -3.790 17.089 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.752 -2.513 16.548 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.955 -4.253 16.109 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.026 -5.486 16.744 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.168 -4.202 18.919 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.032 -3.031 18.279 1.00 0.00 H new ATOM 0 HE ARG A 30 60.417 -5.828 19.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 58.598 -4.263 20.402 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.240 -3.965 19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 30 59.041 -4.800 16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 30 57.488 -4.266 17.088 1.00 0.00 H new ATOM 465 N ALA A 31 64.968 -5.645 15.043 1.00 0.00 N ATOM 466 CA ALA A 31 65.454 -7.008 14.927 1.00 0.00 C ATOM 467 C ALA A 31 65.021 -7.849 16.121 1.00 0.00 C ATOM 468 O ALA A 31 64.404 -7.346 17.061 1.00 0.00 O ATOM 469 CB ALA A 31 66.980 -7.006 14.828 1.00 0.00 C ATOM 0 H ALA A 31 65.683 -4.968 15.309 1.00 0.00 H new ATOM 0 HA ALA A 31 65.026 -7.446 14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.340 -8.031 14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.287 -6.438 13.950 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.402 -6.548 15.722 1.00 0.00 H new ATOM 475 N SER A 32 65.355 -9.136 16.073 1.00 0.00 N ATOM 476 CA SER A 32 65.008 -10.057 17.151 1.00 0.00 C ATOM 477 C SER A 32 66.036 -11.176 17.220 1.00 0.00 C ATOM 478 O SER A 32 66.763 -11.307 18.206 1.00 0.00 O ATOM 479 CB SER A 32 63.613 -10.644 16.919 1.00 0.00 C ATOM 480 OG SER A 32 62.668 -9.585 16.843 1.00 0.00 O ATOM 0 H SER A 32 65.865 -9.564 15.300 1.00 0.00 H new ATOM 0 HA SER A 32 65.005 -9.512 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.599 -11.227 15.998 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.352 -11.323 17.730 1.00 0.00 H new ATOM 0 HG SER A 32 61.766 -9.940 16.987 1.00 0.00 H new ATOM 486 N GLY A 33 66.107 -11.965 16.154 1.00 0.00 N ATOM 487 CA GLY A 33 67.069 -13.059 16.080 1.00 0.00 C ATOM 488 C GLY A 33 68.376 -12.543 15.499 1.00 0.00 C ATOM 489 O GLY A 33 69.348 -12.335 16.224 1.00 0.00 O ATOM 0 H GLY A 33 65.512 -11.868 15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.239 -13.476 17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.675 -13.863 15.459 1.00 0.00 H new ATOM 493 N GLN A 34 68.385 -12.324 14.185 1.00 0.00 N ATOM 494 CA GLN A 34 69.569 -11.805 13.498 1.00 0.00 C ATOM 495 C GLN A 34 69.233 -10.511 12.769 1.00 0.00 C ATOM 496 O GLN A 34 68.258 -10.446 12.021 1.00 0.00 O ATOM 497 CB GLN A 34 70.090 -12.836 12.496 1.00 0.00 C ATOM 498 CG GLN A 34 71.348 -12.293 11.812 1.00 0.00 C ATOM 499 CD GLN A 34 72.011 -13.391 10.987 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.759 -14.576 11.208 1.00 0.00 O ATOM 501 NE2 GLN A 34 72.849 -13.064 10.044 1.00 0.00 N ATOM 0 H GLN A 34 67.587 -12.497 13.574 1.00 0.00 H new ATOM 0 HA GLN A 34 70.340 -11.605 14.242 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.316 -13.773 13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.324 -13.055 11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.088 -11.452 11.170 1.00 0.00 H new ATOM 0 HG3 GLN A 34 72.046 -11.918 12.561 1.00 0.00 H new ATOM 0 HE21 GLN A 34 73.056 -12.082 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 34 73.298 -13.790 9.486 1.00 0.00 H new ATOM 510 N GLU A 35 70.048 -9.487 12.986 1.00 0.00 N ATOM 511 CA GLU A 35 69.831 -8.199 12.338 1.00 0.00 C ATOM 512 C GLU A 35 70.199 -8.270 10.861 1.00 0.00 C ATOM 513 O GLU A 35 71.135 -8.971 10.474 1.00 0.00 O ATOM 514 CB GLU A 35 70.667 -7.118 13.033 1.00 0.00 C ATOM 515 CG GLU A 35 72.161 -7.375 12.797 1.00 0.00 C ATOM 516 CD GLU A 35 72.990 -6.385 13.607 1.00 0.00 C ATOM 517 OE1 GLU A 35 72.491 -5.304 13.877 1.00 0.00 O ATOM 518 OE2 GLU A 35 74.114 -6.720 13.940 1.00 0.00 O1- ATOM 0 H GLU A 35 70.861 -9.522 13.602 1.00 0.00 H new ATOM 0 HA GLU A 35 68.774 -7.945 12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.394 -6.134 12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 35 70.455 -7.114 14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.414 -8.396 13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.393 -7.276 11.737 1.00 0.00 H new ATOM 525 N ALA A 36 69.458 -7.533 10.043 1.00 0.00 N ATOM 526 CA ALA A 36 69.704 -7.502 8.609 1.00 0.00 C ATOM 527 C ALA A 36 70.990 -6.743 8.302 1.00 0.00 C ATOM 528 O ALA A 36 71.338 -5.785 8.994 1.00 0.00 O ATOM 529 CB ALA A 36 68.535 -6.810 7.905 1.00 0.00 C ATOM 0 H ALA A 36 68.681 -6.948 10.350 1.00 0.00 H new ATOM 0 HA ALA A 36 69.803 -8.527 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.719 -6.787 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.614 -7.359 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.437 -5.791 8.278 1.00 0.00 H new ATOM 535 N ARG A 37 71.689 -7.173 7.251 1.00 0.00 N ATOM 536 CA ARG A 37 72.935 -6.526 6.839 1.00 0.00 C ATOM 537 C ARG A 37 72.695 -5.685 5.594 1.00 0.00 C ATOM 538 O ARG A 37 72.081 -6.148 4.629 1.00 0.00 O ATOM 539 CB ARG A 37 74.008 -7.578 6.525 1.00 0.00 C ATOM 540 CG ARG A 37 74.301 -8.444 7.758 1.00 0.00 C ATOM 541 CD ARG A 37 75.263 -7.718 8.709 1.00 0.00 C ATOM 542 NE ARG A 37 75.472 -8.519 9.912 1.00 0.00 N ATOM 543 CZ ARG A 37 76.481 -9.384 10.006 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.685 -8.953 10.264 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.264 -10.663 9.843 1.00 0.00 N ATOM 0 H ARG A 37 71.414 -7.965 6.670 1.00 0.00 H new ATOM 0 HA ARG A 37 73.277 -5.892 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 37 73.674 -8.210 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.922 -7.084 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.371 -8.674 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.735 -9.394 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.216 -7.540 8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 37 74.856 -6.743 8.977 1.00 0.00 H new ATOM 0 HE ARG A 37 74.831 -8.414 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.853 -7.955 10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.459 -9.614 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 37 75.322 -10.999 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.037 -11.325 9.915 1.00 0.00 H new ATOM 559 N TRP A 38 73.196 -4.453 5.630 1.00 0.00 N ATOM 560 CA TRP A 38 73.066 -3.513 4.513 1.00 0.00 C ATOM 561 C TRP A 38 74.448 -3.260 3.923 1.00 0.00 C ATOM 562 O TRP A 38 75.422 -3.132 4.665 1.00 0.00 O ATOM 563 CB TRP A 38 72.468 -2.202 5.025 1.00 0.00 C ATOM 564 CG TRP A 38 72.175 -1.288 3.879 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.934 -0.227 3.521 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.053 -1.325 2.947 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.350 0.389 2.427 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.191 -0.252 2.036 1.00 0.00 C ATOM 569 CE3 TRP A 38 69.942 -2.179 2.803 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.257 -0.031 1.020 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.001 -1.959 1.780 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.162 -0.886 0.892 1.00 0.00 C ATOM 0 H TRP A 38 73.703 -4.076 6.431 1.00 0.00 H new ATOM 0 HA TRP A 38 72.412 -3.926 3.745 1.00 0.00 H new ATOM 0 HB2 TRP A 38 71.553 -2.404 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 38 73.162 -1.722 5.715 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.845 0.088 4.008 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.730 1.216 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 38 69.811 -3.008 3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.382 0.797 0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.152 -2.619 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.438 -0.721 0.108 1.00 0.00 H new ATOM 583 N ALA A 39 74.554 -3.205 2.598 1.00 0.00 N ATOM 584 CA ALA A 39 75.856 -2.988 1.987 1.00 0.00 C ATOM 585 C ALA A 39 75.750 -2.871 0.476 1.00 0.00 C ATOM 586 O ALA A 39 74.830 -3.406 -0.142 1.00 0.00 O ATOM 587 CB ALA A 39 76.787 -4.151 2.350 1.00 0.00 C ATOM 0 H ALA A 39 73.777 -3.305 1.945 1.00 0.00 H new ATOM 0 HA ALA A 39 76.260 -2.050 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.764 -3.991 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.897 -4.205 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.363 -5.085 1.982 1.00 0.00 H new ATOM 593 N LEU A 40 76.729 -2.194 -0.113 1.00 0.00 N ATOM 594 CA LEU A 40 76.793 -2.025 -1.562 1.00 0.00 C ATOM 595 C LEU A 40 78.127 -2.571 -2.041 1.00 0.00 C ATOM 596 O LEU A 40 79.183 -2.142 -1.581 1.00 0.00 O ATOM 597 CB LEU A 40 76.665 -0.544 -1.943 1.00 0.00 C ATOM 598 CG LEU A 40 76.421 -0.409 -3.460 1.00 0.00 C ATOM 599 CD1 LEU A 40 75.952 1.019 -3.774 1.00 0.00 C ATOM 600 CD2 LEU A 40 77.705 -0.738 -4.258 1.00 0.00 C ATOM 0 H LEU A 40 77.495 -1.750 0.394 1.00 0.00 H new ATOM 0 HA LEU A 40 75.969 -2.562 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 75.842 -0.088 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 40 77.572 -0.008 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 40 75.650 -1.120 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 40 75.779 1.118 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 40 75.026 1.224 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 40 76.718 1.730 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 40 77.507 -0.635 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 40 78.499 -0.050 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.015 -1.761 -4.043 1.00 0.00 H new ATOM 612 N GLY A 41 78.076 -3.542 -2.940 1.00 0.00 N ATOM 613 CA GLY A 41 79.295 -4.164 -3.445 1.00 0.00 C ATOM 614 C GLY A 41 79.720 -5.294 -2.515 1.00 0.00 C ATOM 615 O GLY A 41 80.777 -5.899 -2.692 1.00 0.00 O ATOM 0 H GLY A 41 77.212 -3.915 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.127 -4.551 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.090 -3.422 -3.518 1.00 0.00 H new ATOM 619 N GLY A 42 78.872 -5.583 -1.527 1.00 0.00 N ATOM 620 CA GLY A 42 79.146 -6.657 -0.574 1.00 0.00 C ATOM 621 C GLY A 42 79.937 -6.162 0.635 1.00 0.00 C ATOM 622 O GLY A 42 80.269 -6.945 1.525 1.00 0.00 O ATOM 0 H GLY A 42 77.993 -5.090 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.205 -7.092 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.704 -7.450 -1.072 1.00 0.00 H new ATOM 626 N VAL A 43 80.242 -4.864 0.663 1.00 0.00 N ATOM 627 CA VAL A 43 81.005 -4.279 1.775 1.00 0.00 C ATOM 628 C VAL A 43 80.134 -3.303 2.584 1.00 0.00 C ATOM 629 O VAL A 43 79.320 -2.585 2.005 1.00 0.00 O ATOM 630 CB VAL A 43 82.218 -3.522 1.226 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.201 -4.513 0.595 1.00 0.00 C ATOM 632 CG2 VAL A 43 81.757 -2.510 0.171 1.00 0.00 C ATOM 0 H VAL A 43 79.977 -4.199 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 43 81.330 -5.089 2.428 1.00 0.00 H new ATOM 0 HB VAL A 43 82.713 -2.994 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.063 -3.972 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.532 -5.228 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.709 -5.046 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 82.621 -1.972 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.259 -3.035 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.063 -1.802 0.625 1.00 0.00 H new ATOM 642 N PRO A 44 80.296 -3.235 3.895 1.00 0.00 N ATOM 643 CA PRO A 44 79.497 -2.289 4.730 1.00 0.00 C ATOM 644 C PRO A 44 79.677 -0.849 4.230 1.00 0.00 C ATOM 645 O PRO A 44 80.755 -0.479 3.762 1.00 0.00 O ATOM 646 CB PRO A 44 80.048 -2.449 6.170 1.00 0.00 C ATOM 647 CG PRO A 44 81.130 -3.504 6.128 1.00 0.00 C ATOM 648 CD PRO A 44 81.223 -4.053 4.695 1.00 0.00 C ATOM 0 HA PRO A 44 78.429 -2.503 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.449 -1.503 6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.252 -2.743 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.086 -3.078 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.902 -4.308 6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.241 -3.979 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.946 -5.107 4.660 1.00 0.00 H new ATOM 656 N LEU A 45 78.615 -0.050 4.313 1.00 0.00 N ATOM 657 CA LEU A 45 78.672 1.338 3.849 1.00 0.00 C ATOM 658 C LEU A 45 79.318 2.247 4.891 1.00 0.00 C ATOM 659 O LEU A 45 79.321 1.943 6.084 1.00 0.00 O ATOM 660 CB LEU A 45 77.264 1.867 3.548 1.00 0.00 C ATOM 661 CG LEU A 45 76.488 0.872 2.687 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.218 1.540 2.162 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.337 0.416 1.498 1.00 0.00 C ATOM 0 H LEU A 45 77.712 -0.334 4.693 1.00 0.00 H new ATOM 0 HA LEU A 45 79.275 1.346 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 45 76.729 2.043 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.332 2.826 3.034 1.00 0.00 H new ATOM 0 HG LEU A 45 76.234 0.005 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 45 74.662 0.832 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 74.599 1.855 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.486 2.410 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.769 -0.292 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.603 1.280 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.245 -0.064 1.862 1.00 0.00 H new ATOM 675 N GLN A 46 79.846 3.376 4.419 1.00 0.00 N ATOM 676 CA GLN A 46 80.484 4.365 5.292 1.00 0.00 C ATOM 677 C GLN A 46 79.851 5.735 5.047 1.00 0.00 C ATOM 678 O GLN A 46 79.682 6.156 3.901 1.00 0.00 O ATOM 679 CB GLN A 46 81.989 4.417 5.008 1.00 0.00 C ATOM 680 CG GLN A 46 82.628 3.085 5.422 1.00 0.00 C ATOM 681 CD GLN A 46 84.126 3.097 5.126 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.532 3.300 3.981 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.976 2.873 6.094 1.00 0.00 N ATOM 0 H GLN A 46 79.845 3.631 3.431 1.00 0.00 H new ATOM 0 HA GLN A 46 80.337 4.083 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.165 4.604 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.447 5.240 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.463 2.910 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.152 2.264 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 46 84.637 2.705 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.978 2.866 5.902 1.00 0.00 H new ATOM 692 N ALA A 47 79.476 6.418 6.124 1.00 0.00 N ATOM 693 CA ALA A 47 78.834 7.728 6.005 1.00 0.00 C ATOM 694 C ALA A 47 79.772 8.758 5.380 1.00 0.00 C ATOM 695 O ALA A 47 80.232 9.681 6.048 1.00 0.00 O ATOM 696 CB ALA A 47 78.387 8.214 7.384 1.00 0.00 C ATOM 0 H ALA A 47 79.603 6.092 7.082 1.00 0.00 H new ATOM 0 HA ALA A 47 77.968 7.617 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.910 9.189 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.678 7.503 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.254 8.296 8.039 1.00 0.00 H new ATOM 702 N ASN A 48 80.045 8.595 4.091 1.00 0.00 N ATOM 703 CA ASN A 48 80.925 9.514 3.374 1.00 0.00 C ATOM 704 C ASN A 48 80.194 10.816 3.048 1.00 0.00 C ATOM 705 O ASN A 48 78.966 10.877 3.090 1.00 0.00 O ATOM 706 CB ASN A 48 81.395 8.859 2.078 1.00 0.00 C ATOM 707 CG ASN A 48 82.242 7.632 2.394 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.796 7.523 3.488 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.370 6.692 1.499 1.00 0.00 N ATOM 0 H ASN A 48 79.671 7.837 3.520 1.00 0.00 H new ATOM 0 HA ASN A 48 81.782 9.743 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 48 80.535 8.572 1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.975 9.571 1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 48 82.930 5.865 1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 48 81.910 6.784 0.593 1.00 0.00 H new ATOM 716 N GLU A 49 80.954 11.857 2.714 1.00 0.00 N ATOM 717 CA GLU A 49 80.355 13.142 2.375 1.00 0.00 C ATOM 718 C GLU A 49 79.419 12.972 1.182 1.00 0.00 C ATOM 719 O GLU A 49 78.285 13.455 1.191 1.00 0.00 O ATOM 720 CB GLU A 49 81.453 14.148 2.018 1.00 0.00 C ATOM 721 CG GLU A 49 82.282 14.468 3.263 1.00 0.00 C ATOM 722 CD GLU A 49 83.420 15.413 2.897 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.247 15.673 3.755 1.00 0.00 O ATOM 724 OE2 GLU A 49 83.448 15.866 1.763 1.00 0.00 O1- ATOM 0 H GLU A 49 81.973 11.836 2.672 1.00 0.00 H new ATOM 0 HA GLU A 49 79.791 13.510 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.094 13.739 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.009 15.060 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 49 81.650 14.924 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.683 13.549 3.690 1.00 0.00 H new ATOM 731 N MET A 50 79.902 12.270 0.162 1.00 0.00 N ATOM 732 CA MET A 50 79.108 12.022 -1.035 1.00 0.00 C ATOM 733 C MET A 50 77.927 11.116 -0.706 1.00 0.00 C ATOM 734 O MET A 50 76.814 11.320 -1.196 1.00 0.00 O ATOM 735 CB MET A 50 79.985 11.361 -2.101 1.00 0.00 C ATOM 736 CG MET A 50 81.000 12.376 -2.625 1.00 0.00 C ATOM 737 SD MET A 50 82.152 11.544 -3.746 1.00 0.00 S ATOM 738 CE MET A 50 80.959 11.125 -5.039 1.00 0.00 C ATOM 0 H MET A 50 80.837 11.864 0.141 1.00 0.00 H new ATOM 0 HA MET A 50 78.728 12.971 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.501 10.499 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.366 10.993 -2.920 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.487 13.185 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.544 12.826 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 50 81.480 10.998 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.450 10.197 -4.778 1.00 0.00 H new ATOM 0 HE3 MET A 50 80.227 11.927 -5.132 1.00 0.00 H new ATOM 748 N ASN A 51 78.187 10.115 0.136 1.00 0.00 N ATOM 749 CA ASN A 51 77.158 9.164 0.555 1.00 0.00 C ATOM 750 C ASN A 51 76.948 9.262 2.064 1.00 0.00 C ATOM 751 O ASN A 51 77.797 8.832 2.843 1.00 0.00 O ATOM 752 CB ASN A 51 77.596 7.741 0.204 1.00 0.00 C ATOM 753 CG ASN A 51 77.793 7.606 -1.303 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.363 8.470 -2.067 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.424 6.567 -1.777 1.00 0.00 N ATOM 0 H ASN A 51 79.106 9.942 0.543 1.00 0.00 H new ATOM 0 HA ASN A 51 76.227 9.400 0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.524 7.500 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.846 7.027 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.562 6.469 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.779 5.853 -1.142 1.00 0.00 H new ATOM 762 N ASP A 52 75.814 9.832 2.472 1.00 0.00 N ATOM 763 CA ASP A 52 75.500 9.984 3.891 1.00 0.00 C ATOM 764 C ASP A 52 74.363 9.049 4.272 1.00 0.00 C ATOM 765 O ASP A 52 73.601 8.613 3.411 1.00 0.00 O ATOM 766 CB ASP A 52 75.103 11.433 4.186 1.00 0.00 C ATOM 767 CG ASP A 52 74.102 11.923 3.147 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.481 12.021 1.990 1.00 0.00 O ATOM 769 OD2 ASP A 52 72.971 12.192 3.522 1.00 0.00 O1- ATOM 0 H ASP A 52 75.100 10.195 1.841 1.00 0.00 H new ATOM 0 HA ASP A 52 76.382 9.731 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.668 11.503 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 52 75.988 12.070 4.179 1.00 0.00 H new ATOM 774 N ILE A 53 74.251 8.738 5.563 1.00 0.00 N ATOM 775 CA ILE A 53 73.198 7.847 6.046 1.00 0.00 C ATOM 776 C ILE A 53 72.356 8.554 7.090 1.00 0.00 C ATOM 777 O ILE A 53 72.883 9.155 8.027 1.00 0.00 O ATOM 778 CB ILE A 53 73.813 6.579 6.641 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.982 6.127 5.759 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.750 5.477 6.684 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.441 4.730 6.184 1.00 0.00 C ATOM 0 H ILE A 53 74.874 9.089 6.290 1.00 0.00 H new ATOM 0 HA ILE A 53 72.561 7.569 5.206 1.00 0.00 H new ATOM 0 HB ILE A 53 74.172 6.779 7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 53 74.678 6.117 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.808 6.833 5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.183 4.570 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.913 5.803 7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.397 5.273 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 53 76.272 4.413 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.763 4.754 7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.615 4.027 6.076 1.00 0.00 H new ATOM 793 N THR A 54 71.042 8.496 6.913 1.00 0.00 N ATOM 794 CA THR A 54 70.119 9.154 7.835 1.00 0.00 C ATOM 795 C THR A 54 69.049 8.181 8.321 1.00 0.00 C ATOM 796 O THR A 54 68.398 7.505 7.521 1.00 0.00 O ATOM 797 CB THR A 54 69.469 10.336 7.111 1.00 0.00 C ATOM 798 OG1 THR A 54 70.478 11.258 6.711 1.00 0.00 O ATOM 799 CG2 THR A 54 68.471 11.027 8.035 1.00 0.00 C ATOM 0 H THR A 54 70.591 8.002 6.143 1.00 0.00 H new ATOM 0 HA THR A 54 70.669 9.505 8.708 1.00 0.00 H new ATOM 0 HB THR A 54 68.940 9.973 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.064 12.015 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.013 11.867 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.698 10.318 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.988 11.391 8.923 1.00 0.00 H new ATOM 807 N VAL A 55 68.869 8.120 9.644 1.00 0.00 N ATOM 808 CA VAL A 55 67.867 7.236 10.253 1.00 0.00 C ATOM 809 C VAL A 55 66.741 8.067 10.856 1.00 0.00 C ATOM 810 O VAL A 55 66.991 9.009 11.610 1.00 0.00 O ATOM 811 CB VAL A 55 68.510 6.380 11.348 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.123 7.287 12.418 1.00 0.00 C ATOM 813 CG2 VAL A 55 67.442 5.491 11.990 1.00 0.00 C ATOM 0 H VAL A 55 69.404 8.672 10.315 1.00 0.00 H new ATOM 0 HA VAL A 55 67.463 6.582 9.480 1.00 0.00 H new ATOM 0 HB VAL A 55 69.291 5.759 10.909 1.00 0.00 H new ATOM 0 HG11 VAL A 55 69.580 6.675 13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 55 69.883 7.923 11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 55 68.344 7.910 12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 67.897 4.881 12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.663 6.116 12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 55 67.004 4.843 11.231 1.00 0.00 H new ATOM 823 N GLU A 56 65.500 7.724 10.514 1.00 0.00 N ATOM 824 CA GLU A 56 64.333 8.455 11.021 1.00 0.00 C ATOM 825 C GLU A 56 63.508 7.586 11.966 1.00 0.00 C ATOM 826 O GLU A 56 63.895 6.462 12.302 1.00 0.00 O ATOM 827 CB GLU A 56 63.447 8.902 9.856 1.00 0.00 C ATOM 828 CG GLU A 56 64.178 9.950 9.014 1.00 0.00 C ATOM 829 CD GLU A 56 63.334 10.311 7.793 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.266 9.736 7.645 1.00 0.00 O ATOM 831 OE2 GLU A 56 63.767 11.155 7.025 1.00 0.00 O1- ATOM 0 H GLU A 56 65.274 6.949 9.891 1.00 0.00 H new ATOM 0 HA GLU A 56 64.697 9.325 11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.186 8.044 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.513 9.316 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.370 10.841 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.147 9.564 8.697 1.00 0.00 H new ATOM 838 N GLN A 57 62.367 8.139 12.382 1.00 0.00 N ATOM 839 CA GLN A 57 61.431 7.475 13.295 1.00 0.00 C ATOM 840 C GLN A 57 61.548 5.950 13.245 1.00 0.00 C ATOM 841 O GLN A 57 61.782 5.365 12.186 1.00 0.00 O ATOM 842 CB GLN A 57 60.003 7.881 12.916 1.00 0.00 C ATOM 843 CG GLN A 57 59.007 7.384 13.968 1.00 0.00 C ATOM 844 CD GLN A 57 59.243 8.095 15.298 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.598 9.274 15.321 1.00 0.00 O ATOM 846 NE2 GLN A 57 59.059 7.445 16.413 1.00 0.00 N ATOM 0 H GLN A 57 62.063 9.069 12.093 1.00 0.00 H new ATOM 0 HA GLN A 57 61.675 7.788 14.310 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.938 8.966 12.829 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.748 7.467 11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 57 57.987 7.564 13.627 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.113 6.307 14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 57 58.765 6.469 16.392 1.00 0.00 H new ATOM 0 HE22 GLN A 57 59.209 7.913 17.307 1.00 0.00 H new ATOM 855 N GLY A 58 61.364 5.320 14.404 1.00 0.00 N ATOM 856 CA GLY A 58 61.428 3.865 14.506 1.00 0.00 C ATOM 857 C GLY A 58 62.776 3.328 14.046 1.00 0.00 C ATOM 858 O GLY A 58 63.730 3.261 14.822 1.00 0.00 O ATOM 0 H GLY A 58 61.169 5.795 15.285 1.00 0.00 H new ATOM 0 HA2 GLY A 58 61.249 3.564 15.538 1.00 0.00 H new ATOM 0 HA3 GLY A 58 60.635 3.423 13.903 1.00 0.00 H new ATOM 862 N THR A 59 62.845 2.940 12.779 1.00 0.00 N ATOM 863 CA THR A 59 64.081 2.404 12.229 1.00 0.00 C ATOM 864 C THR A 59 64.038 2.410 10.705 1.00 0.00 C ATOM 865 O THR A 59 64.058 1.355 10.056 1.00 0.00 O ATOM 866 CB THR A 59 64.321 0.979 12.751 1.00 0.00 C ATOM 867 OG1 THR A 59 64.275 0.987 14.171 1.00 0.00 O ATOM 868 CG2 THR A 59 65.697 0.479 12.292 1.00 0.00 C ATOM 0 H THR A 59 62.068 2.986 12.120 1.00 0.00 H new ATOM 0 HA THR A 59 64.906 3.039 12.551 1.00 0.00 H new ATOM 0 HB THR A 59 63.549 0.317 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 64.551 1.867 14.502 1.00 0.00 H new ATOM 0 HG21 THR A 59 65.860 -0.532 12.666 1.00 0.00 H new ATOM 0 HG22 THR A 59 65.738 0.474 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 59 66.472 1.139 12.681 1.00 0.00 H new ATOM 876 N LEU A 60 63.987 3.610 10.134 1.00 0.00 N ATOM 877 CA LEU A 60 63.969 3.751 8.682 1.00 0.00 C ATOM 878 C LEU A 60 65.384 3.999 8.180 1.00 0.00 C ATOM 879 O LEU A 60 66.059 4.913 8.647 1.00 0.00 O ATOM 880 CB LEU A 60 63.076 4.922 8.286 1.00 0.00 C ATOM 881 CG LEU A 60 61.643 4.675 8.771 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.794 5.906 8.447 1.00 0.00 C ATOM 883 CD2 LEU A 60 61.057 3.429 8.072 1.00 0.00 C ATOM 0 H LEU A 60 63.958 4.490 10.648 1.00 0.00 H new ATOM 0 HA LEU A 60 63.578 2.836 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.461 5.846 8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.086 5.048 7.203 1.00 0.00 H new ATOM 0 HG LEU A 60 61.642 4.501 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.771 5.743 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 60 61.210 6.778 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.795 6.076 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.039 3.261 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.048 3.587 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.670 2.559 8.306 1.00 0.00 H new ATOM 895 N HIS A 61 65.832 3.184 7.229 1.00 0.00 N ATOM 896 CA HIS A 61 67.178 3.329 6.673 1.00 0.00 C ATOM 897 C HIS A 61 67.093 3.884 5.259 1.00 0.00 C ATOM 898 O HIS A 61 66.471 3.279 4.387 1.00 0.00 O ATOM 899 CB HIS A 61 67.870 1.964 6.648 1.00 0.00 C ATOM 900 CG HIS A 61 67.928 1.408 8.044 1.00 0.00 C ATOM 901 ND1 HIS A 61 68.182 0.068 8.297 1.00 0.00 N ATOM 902 CD2 HIS A 61 67.756 1.996 9.276 1.00 0.00 C ATOM 903 CE1 HIS A 61 68.156 -0.106 9.630 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.901 1.037 10.275 1.00 0.00 N ATOM 0 H HIS A 61 65.288 2.420 6.828 1.00 0.00 H new ATOM 0 HA HIS A 61 67.753 4.016 7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 61 67.327 1.281 5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.877 2.062 6.241 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.357 -0.654 7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 61 67.541 3.041 9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.321 -1.054 10.120 1.00 0.00 H new ATOM 912 N LEU A 62 67.715 5.042 5.029 1.00 0.00 N ATOM 913 CA LEU A 62 67.688 5.659 3.701 1.00 0.00 C ATOM 914 C LEU A 62 69.066 6.202 3.327 1.00 0.00 C ATOM 915 O LEU A 62 69.598 7.097 3.987 1.00 0.00 O ATOM 916 CB LEU A 62 66.646 6.795 3.650 1.00 0.00 C ATOM 917 CG LEU A 62 66.748 7.700 4.903 1.00 0.00 C ATOM 918 CD1 LEU A 62 66.349 9.140 4.545 1.00 0.00 C ATOM 919 CD2 LEU A 62 65.812 7.186 6.009 1.00 0.00 C ATOM 0 H LEU A 62 68.236 5.565 5.733 1.00 0.00 H new ATOM 0 HA LEU A 62 67.407 4.891 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 62 66.799 7.393 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 62 65.644 6.371 3.584 1.00 0.00 H new ATOM 0 HG LEU A 62 67.778 7.680 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.424 9.769 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 62 67.017 9.521 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.323 9.152 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 62 65.894 7.831 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 62 64.784 7.193 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.094 6.169 6.281 1.00 0.00 H new ATOM 931 N LEU A 63 69.637 5.663 2.247 1.00 0.00 N ATOM 932 CA LEU A 63 70.939 6.115 1.777 1.00 0.00 C ATOM 933 C LEU A 63 70.737 7.307 0.854 1.00 0.00 C ATOM 934 O LEU A 63 70.084 7.195 -0.184 1.00 0.00 O ATOM 935 CB LEU A 63 71.679 4.991 1.017 1.00 0.00 C ATOM 936 CG LEU A 63 72.366 4.002 1.983 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.686 4.592 2.526 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.423 3.649 3.141 1.00 0.00 C ATOM 0 H LEU A 63 69.218 4.919 1.689 1.00 0.00 H new ATOM 0 HA LEU A 63 71.547 6.397 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.972 4.452 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.425 5.430 0.355 1.00 0.00 H new ATOM 0 HG LEU A 63 72.601 3.092 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.152 3.877 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 63 74.361 4.798 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.477 5.518 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.920 2.951 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.161 4.556 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 63 70.517 3.189 2.745 1.00 0.00 H new ATOM 950 N THR A 64 71.284 8.450 1.245 1.00 0.00 N ATOM 951 CA THR A 64 71.145 9.673 0.456 1.00 0.00 C ATOM 952 C THR A 64 72.441 10.014 -0.268 1.00 0.00 C ATOM 953 O THR A 64 73.327 10.656 0.295 1.00 0.00 O ATOM 954 CB THR A 64 70.766 10.835 1.380 1.00 0.00 C ATOM 955 OG1 THR A 64 69.531 10.538 2.020 1.00 0.00 O ATOM 956 CG2 THR A 64 70.619 12.127 0.570 1.00 0.00 C ATOM 0 H THR A 64 71.827 8.559 2.101 1.00 0.00 H new ATOM 0 HA THR A 64 70.366 9.510 -0.289 1.00 0.00 H new ATOM 0 HB THR A 64 71.550 10.970 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.284 11.277 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.350 12.946 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.563 12.357 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.839 11.999 -0.181 1.00 0.00 H new ATOM 964 N LEU A 65 72.534 9.602 -1.532 1.00 0.00 N ATOM 965 CA LEU A 65 73.719 9.894 -2.348 1.00 0.00 C ATOM 966 C LEU A 65 73.366 10.973 -3.382 1.00 0.00 C ATOM 967 O LEU A 65 72.268 10.968 -3.948 1.00 0.00 O ATOM 968 CB LEU A 65 74.235 8.616 -3.054 1.00 0.00 C ATOM 969 CG LEU A 65 73.110 7.566 -3.150 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.406 6.603 -4.306 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.014 6.769 -1.832 1.00 0.00 C ATOM 0 H LEU A 65 71.810 9.068 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 65 74.516 10.258 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 65 74.596 8.864 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 65 75.080 8.204 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 65 72.163 8.076 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 65 72.611 5.861 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 73.461 7.162 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 74.357 6.101 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 72.216 6.030 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 65 73.960 6.262 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 65 72.797 7.451 -1.010 1.00 0.00 H new ATOM 983 N HIS A 66 74.300 11.897 -3.622 1.00 0.00 N ATOM 984 CA HIS A 66 74.076 12.983 -4.584 1.00 0.00 C ATOM 985 C HIS A 66 75.335 13.235 -5.412 1.00 0.00 C ATOM 986 O HIS A 66 76.437 12.861 -5.011 1.00 0.00 O ATOM 987 CB HIS A 66 73.684 14.266 -3.842 1.00 0.00 C ATOM 988 CG HIS A 66 74.766 14.634 -2.861 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.785 15.516 -3.184 1.00 0.00 N ATOM 990 CD2 HIS A 66 75.000 14.252 -1.562 1.00 0.00 C ATOM 991 CE1 HIS A 66 76.578 15.635 -2.103 1.00 0.00 C ATOM 992 NE2 HIS A 66 76.144 14.886 -1.087 1.00 0.00 N ATOM 0 H HIS A 66 75.213 11.917 -3.168 1.00 0.00 H new ATOM 0 HA HIS A 66 73.268 12.689 -5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 66 73.533 15.078 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 66 72.739 14.121 -3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.389 13.564 -0.996 1.00 0.00 H new ATOM 0 HE1 HIS A 66 77.458 16.260 -2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 66 76.562 14.797 -0.161 1.00 0.00 H new ATOM 1000 N LYS A 67 75.159 13.861 -6.577 1.00 0.00 N ATOM 1001 CA LYS A 67 76.282 14.142 -7.466 1.00 0.00 C ATOM 1002 C LYS A 67 77.133 12.888 -7.631 1.00 0.00 C ATOM 1003 O LYS A 67 78.229 12.790 -7.079 1.00 0.00 O ATOM 1004 CB LYS A 67 77.142 15.280 -6.907 1.00 0.00 C ATOM 1005 CG LYS A 67 78.024 15.847 -8.023 1.00 0.00 C ATOM 1006 CD LYS A 67 78.821 17.040 -7.494 1.00 0.00 C ATOM 1007 CE LYS A 67 79.681 17.602 -8.626 1.00 0.00 C ATOM 1008 NZ LYS A 67 80.468 18.764 -8.126 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.254 14.180 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 67 75.890 14.447 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 67 76.505 16.064 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 77.762 14.914 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 67 78.703 15.077 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.406 16.155 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 67 78.145 17.808 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.451 16.732 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 67 80.352 16.831 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 67 79.048 17.910 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 81.052 19.145 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 79.819 19.502 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 81.083 18.457 -7.345 1.00 0.00 H new ATOM 1022 N VAL A 68 76.611 11.924 -8.383 1.00 0.00 N ATOM 1023 CA VAL A 68 77.313 10.659 -8.613 1.00 0.00 C ATOM 1024 C VAL A 68 77.655 10.485 -10.091 1.00 0.00 C ATOM 1025 O VAL A 68 76.805 10.672 -10.960 1.00 0.00 O ATOM 1026 CB VAL A 68 76.426 9.501 -8.154 1.00 0.00 C ATOM 1027 CG1 VAL A 68 75.189 9.411 -9.048 1.00 0.00 C ATOM 1028 CG2 VAL A 68 77.205 8.190 -8.240 1.00 0.00 C ATOM 0 H VAL A 68 75.704 11.992 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 68 78.243 10.668 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 68 76.118 9.676 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 74.560 8.584 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.626 10.343 -8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.497 9.242 -10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 68 76.570 7.367 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 68 77.517 8.019 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 78.085 8.247 -7.599 1.00 0.00 H new ATOM 1038 N THR A 69 78.906 10.125 -10.366 1.00 0.00 N ATOM 1039 CA THR A 69 79.350 9.927 -11.742 1.00 0.00 C ATOM 1040 C THR A 69 78.892 8.565 -12.262 1.00 0.00 C ATOM 1041 O THR A 69 77.932 7.988 -11.755 1.00 0.00 O ATOM 1042 CB THR A 69 80.877 10.027 -11.818 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.459 8.824 -11.338 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.353 11.199 -10.959 1.00 0.00 C ATOM 0 H THR A 69 79.625 9.966 -9.660 1.00 0.00 H new ATOM 0 HA THR A 69 78.908 10.705 -12.365 1.00 0.00 H new ATOM 0 HB THR A 69 81.177 10.186 -12.854 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.435 8.890 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.439 11.271 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.909 12.124 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 69 81.050 11.038 -9.924 1.00 0.00 H new ATOM 1052 N LEU A 70 79.585 8.059 -13.278 1.00 0.00 N ATOM 1053 CA LEU A 70 79.242 6.767 -13.867 1.00 0.00 C ATOM 1054 C LEU A 70 79.281 5.671 -12.806 1.00 0.00 C ATOM 1055 O LEU A 70 78.497 4.723 -12.856 1.00 0.00 O ATOM 1056 CB LEU A 70 80.224 6.437 -15.002 1.00 0.00 C ATOM 1057 CG LEU A 70 79.906 5.064 -15.618 1.00 0.00 C ATOM 1058 CD1 LEU A 70 78.460 5.043 -16.142 1.00 0.00 C ATOM 1059 CD2 LEU A 70 80.878 4.809 -16.776 1.00 0.00 C ATOM 0 H LEU A 70 80.385 8.522 -13.710 1.00 0.00 H new ATOM 0 HA LEU A 70 78.231 6.822 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.169 7.207 -15.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 81.244 6.441 -14.619 1.00 0.00 H new ATOM 0 HG LEU A 70 80.014 4.288 -14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 70 78.245 4.067 -16.576 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.772 5.234 -15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 70 78.338 5.814 -16.903 1.00 0.00 H new ATOM 0 HD21 LEU A 70 80.665 3.838 -17.223 1.00 0.00 H new ATOM 0 HD22 LEU A 70 80.760 5.589 -17.528 1.00 0.00 H new ATOM 0 HD23 LEU A 70 81.901 4.819 -16.401 1.00 0.00 H new ATOM 1071 N GLU A 71 80.191 5.805 -11.846 1.00 0.00 N ATOM 1072 CA GLU A 71 80.317 4.814 -10.776 1.00 0.00 C ATOM 1073 C GLU A 71 78.962 4.537 -10.113 1.00 0.00 C ATOM 1074 O GLU A 71 78.864 3.698 -9.220 1.00 0.00 O ATOM 1075 CB GLU A 71 81.307 5.303 -9.713 1.00 0.00 C ATOM 1076 CG GLU A 71 82.708 5.452 -10.319 1.00 0.00 C ATOM 1077 CD GLU A 71 83.232 4.096 -10.784 1.00 0.00 C ATOM 1078 OE1 GLU A 71 82.715 3.093 -10.323 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.145 4.082 -11.591 1.00 0.00 O1- ATOM 0 H GLU A 71 80.848 6.583 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 71 80.684 3.890 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 71 80.974 6.259 -9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.336 4.599 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.676 6.145 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.387 5.878 -9.581 1.00 0.00 H new ATOM 1086 N ASP A 72 77.922 5.242 -10.552 1.00 0.00 N ATOM 1087 CA ASP A 72 76.591 5.056 -9.987 1.00 0.00 C ATOM 1088 C ASP A 72 76.190 3.583 -10.038 1.00 0.00 C ATOM 1089 O ASP A 72 75.573 3.067 -9.106 1.00 0.00 O ATOM 1090 CB ASP A 72 75.572 5.893 -10.770 1.00 0.00 C ATOM 1091 CG ASP A 72 74.264 5.995 -9.990 1.00 0.00 C ATOM 1092 OD1 ASP A 72 74.322 5.997 -8.772 1.00 0.00 O ATOM 1093 OD2 ASP A 72 73.224 6.068 -10.624 1.00 0.00 O1- ATOM 0 H ASP A 72 77.976 5.942 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 72 76.607 5.381 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 72 75.973 6.890 -10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.389 5.439 -11.744 1.00 0.00 H new ATOM 1098 N ALA A 73 76.539 2.913 -11.131 1.00 0.00 N ATOM 1099 CA ALA A 73 76.200 1.503 -11.287 1.00 0.00 C ATOM 1100 C ALA A 73 76.815 0.663 -10.168 1.00 0.00 C ATOM 1101 O ALA A 73 77.967 0.861 -9.782 1.00 0.00 O ATOM 1102 CB ALA A 73 76.696 0.999 -12.642 1.00 0.00 C ATOM 0 H ALA A 73 77.051 3.318 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 73 75.116 1.404 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.441 -0.055 -12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.224 1.574 -13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.778 1.118 -12.701 1.00 0.00 H new ATOM 1108 N GLY A 74 76.027 -0.277 -9.654 1.00 0.00 N ATOM 1109 CA GLY A 74 76.474 -1.155 -8.579 1.00 0.00 C ATOM 1110 C GLY A 74 75.359 -2.127 -8.198 1.00 0.00 C ATOM 1111 O GLY A 74 74.259 -2.053 -8.744 1.00 0.00 O ATOM 0 H GLY A 74 75.072 -0.450 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.358 -1.709 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.763 -0.562 -7.711 1.00 0.00 H new ATOM 1115 N THR A 75 75.642 -3.043 -7.267 1.00 0.00 N ATOM 1116 CA THR A 75 74.639 -4.028 -6.830 1.00 0.00 C ATOM 1117 C THR A 75 74.470 -4.001 -5.309 1.00 0.00 C ATOM 1118 O THR A 75 75.407 -4.304 -4.573 1.00 0.00 O ATOM 1119 CB THR A 75 75.079 -5.429 -7.271 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.194 -5.461 -8.686 1.00 0.00 O ATOM 1121 CG2 THR A 75 74.054 -6.476 -6.820 1.00 0.00 C ATOM 0 H THR A 75 76.547 -3.126 -6.803 1.00 0.00 H new ATOM 0 HA THR A 75 73.682 -3.775 -7.286 1.00 0.00 H new ATOM 0 HB THR A 75 76.042 -5.658 -6.814 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.477 -6.355 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.380 -7.466 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.968 -6.456 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.085 -6.252 -7.265 1.00 0.00 H new ATOM 1129 N VAL A 76 73.267 -3.654 -4.841 1.00 0.00 N ATOM 1130 CA VAL A 76 72.999 -3.615 -3.398 1.00 0.00 C ATOM 1131 C VAL A 76 72.502 -4.980 -2.932 1.00 0.00 C ATOM 1132 O VAL A 76 71.611 -5.566 -3.546 1.00 0.00 O ATOM 1133 CB VAL A 76 71.943 -2.552 -3.064 1.00 0.00 C ATOM 1134 CG1 VAL A 76 71.887 -2.351 -1.549 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.299 -1.221 -3.738 1.00 0.00 C ATOM 0 H VAL A 76 72.473 -3.399 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 76 73.926 -3.360 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 76 70.973 -2.889 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.138 -1.596 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.622 -3.292 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.862 -2.021 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 76 71.542 -0.475 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.272 -0.881 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.336 -1.359 -4.819 1.00 0.00 H new ATOM 1145 N SER A 77 73.084 -5.490 -1.848 1.00 0.00 N ATOM 1146 CA SER A 77 72.694 -6.798 -1.317 1.00 0.00 C ATOM 1147 C SER A 77 72.464 -6.727 0.186 1.00 0.00 C ATOM 1148 O SER A 77 73.091 -5.931 0.891 1.00 0.00 O ATOM 1149 CB SER A 77 73.793 -7.815 -1.616 1.00 0.00 C ATOM 1150 OG SER A 77 75.049 -7.271 -1.235 1.00 0.00 O ATOM 0 H SER A 77 73.822 -5.022 -1.322 1.00 0.00 H new ATOM 0 HA SER A 77 71.763 -7.103 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.605 -8.742 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.797 -8.062 -2.678 1.00 0.00 H new ATOM 0 HG SER A 77 75.758 -7.921 -1.423 1.00 0.00 H new ATOM 1156 N PHE A 78 71.555 -7.573 0.666 1.00 0.00 N ATOM 1157 CA PHE A 78 71.227 -7.623 2.090 1.00 0.00 C ATOM 1158 C PHE A 78 70.712 -9.019 2.456 1.00 0.00 C ATOM 1159 O PHE A 78 70.117 -9.706 1.624 1.00 0.00 O ATOM 1160 CB PHE A 78 70.174 -6.534 2.423 1.00 0.00 C ATOM 1161 CG PHE A 78 69.449 -6.121 1.159 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.755 -4.897 0.549 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.483 -6.960 0.595 1.00 0.00 C ATOM 1164 CE1 PHE A 78 69.098 -4.513 -0.624 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.823 -6.575 -0.580 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.131 -5.352 -1.189 1.00 0.00 C ATOM 0 H PHE A 78 71.032 -8.233 0.090 1.00 0.00 H new ATOM 0 HA PHE A 78 72.122 -7.425 2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 78 69.461 -6.915 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 78 70.661 -5.669 2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 78 70.500 -4.249 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.246 -7.903 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.337 -3.570 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.076 -7.222 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.622 -5.056 -2.095 1.00 0.00 H new ATOM 1176 N HIS A 79 70.944 -9.433 3.706 1.00 0.00 N ATOM 1177 CA HIS A 79 70.495 -10.758 4.157 1.00 0.00 C ATOM 1178 C HIS A 79 70.065 -10.724 5.625 1.00 0.00 C ATOM 1179 O HIS A 79 70.686 -10.066 6.455 1.00 0.00 O ATOM 1180 CB HIS A 79 71.622 -11.779 3.993 1.00 0.00 C ATOM 1181 CG HIS A 79 72.082 -11.820 2.560 1.00 0.00 C ATOM 1182 ND1 HIS A 79 71.272 -12.277 1.533 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.273 -11.474 1.971 1.00 0.00 C ATOM 1184 CE1 HIS A 79 71.980 -12.197 0.388 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.207 -11.712 0.600 1.00 0.00 N ATOM 0 H HIS A 79 71.431 -8.883 4.414 1.00 0.00 H new ATOM 0 HA HIS A 79 69.640 -11.046 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.457 -11.518 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 79 71.276 -12.766 4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 79 74.132 -11.077 2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 79 71.602 -12.489 -0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.938 -11.551 -0.093 1.00 0.00 H new ATOM 1193 N VAL A 80 68.999 -11.460 5.929 1.00 0.00 N ATOM 1194 CA VAL A 80 68.467 -11.544 7.294 1.00 0.00 C ATOM 1195 C VAL A 80 68.266 -13.009 7.685 1.00 0.00 C ATOM 1196 O VAL A 80 67.688 -13.787 6.924 1.00 0.00 O ATOM 1197 CB VAL A 80 67.129 -10.787 7.370 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.825 -10.385 8.819 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.206 -9.533 6.492 1.00 0.00 C ATOM 0 H VAL A 80 68.481 -12.012 5.246 1.00 0.00 H new ATOM 0 HA VAL A 80 69.175 -11.091 7.988 1.00 0.00 H new ATOM 0 HB VAL A 80 66.331 -11.438 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.876 -9.851 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.763 -11.279 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 80 67.620 -9.739 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.260 -8.994 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.010 -8.889 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 80 67.403 -9.823 5.460 1.00 0.00 H new ATOM 1209 N GLY A 81 68.749 -13.384 8.863 1.00 0.00 N ATOM 1210 CA GLY A 81 68.620 -14.763 9.326 1.00 0.00 C ATOM 1211 C GLY A 81 67.201 -15.295 9.128 1.00 0.00 C ATOM 1212 O GLY A 81 66.959 -16.494 9.258 1.00 0.00 O ATOM 0 H GLY A 81 69.230 -12.760 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.325 -15.396 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 81 68.886 -14.819 10.382 1.00 0.00 H new ATOM 1216 N THR A 82 66.263 -14.400 8.816 1.00 0.00 N ATOM 1217 CA THR A 82 64.865 -14.796 8.605 1.00 0.00 C ATOM 1218 C THR A 82 64.555 -14.908 7.114 1.00 0.00 C ATOM 1219 O THR A 82 64.079 -15.944 6.648 1.00 0.00 O ATOM 1220 CB THR A 82 63.935 -13.761 9.243 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.324 -12.456 8.830 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.025 -13.868 10.768 1.00 0.00 C ATOM 0 H THR A 82 66.441 -13.402 8.704 1.00 0.00 H new ATOM 0 HA THR A 82 64.707 -15.770 9.069 1.00 0.00 H new ATOM 0 HB THR A 82 62.909 -13.948 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.728 -11.793 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.363 -13.132 11.224 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.725 -14.868 11.081 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.051 -13.680 11.086 1.00 0.00 H new ATOM 1230 N CYS A 83 64.835 -13.837 6.371 1.00 0.00 N ATOM 1231 CA CYS A 83 64.590 -13.815 4.924 1.00 0.00 C ATOM 1232 C CYS A 83 65.740 -13.115 4.208 1.00 0.00 C ATOM 1233 O CYS A 83 66.512 -12.401 4.834 1.00 0.00 O ATOM 1234 CB CYS A 83 63.282 -13.080 4.627 1.00 0.00 C ATOM 1235 SG CYS A 83 62.873 -13.250 2.873 1.00 0.00 S ATOM 0 H CYS A 83 65.231 -12.974 6.744 1.00 0.00 H new ATOM 0 HA CYS A 83 64.517 -14.842 4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 83 62.477 -13.487 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.378 -12.026 4.888 1.00 0.00 H new ATOM 0 HG CYS A 83 63.321 -14.388 2.431 1.00 0.00 H new ATOM 1241 N SER A 84 65.852 -13.323 2.891 1.00 0.00 N ATOM 1242 CA SER A 84 66.933 -12.703 2.110 1.00 0.00 C ATOM 1243 C SER A 84 66.403 -12.104 0.810 1.00 0.00 C ATOM 1244 O SER A 84 65.368 -12.528 0.292 1.00 0.00 O ATOM 1245 CB SER A 84 67.992 -13.755 1.779 1.00 0.00 C ATOM 1246 OG SER A 84 67.365 -14.881 1.179 1.00 0.00 O ATOM 0 H SER A 84 65.217 -13.908 2.348 1.00 0.00 H new ATOM 0 HA SER A 84 67.368 -11.903 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.738 -13.337 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.517 -14.057 2.685 1.00 0.00 H new ATOM 0 HG SER A 84 68.042 -15.556 0.964 1.00 0.00 H new ATOM 1252 N SER A 85 67.123 -11.112 0.290 1.00 0.00 N ATOM 1253 CA SER A 85 66.718 -10.460 -0.948 1.00 0.00 C ATOM 1254 C SER A 85 67.880 -9.675 -1.558 1.00 0.00 C ATOM 1255 O SER A 85 68.907 -9.448 -0.910 1.00 0.00 O ATOM 1256 CB SER A 85 65.549 -9.516 -0.682 1.00 0.00 C ATOM 1257 OG SER A 85 65.258 -8.787 -1.868 1.00 0.00 O ATOM 0 H SER A 85 67.981 -10.747 0.704 1.00 0.00 H new ATOM 0 HA SER A 85 66.411 -11.232 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.673 -10.082 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.796 -8.831 0.129 1.00 0.00 H new ATOM 0 HG SER A 85 64.507 -8.180 -1.703 1.00 0.00 H new ATOM 1263 N GLU A 86 67.705 -9.269 -2.816 1.00 0.00 N ATOM 1264 CA GLU A 86 68.734 -8.515 -3.537 1.00 0.00 C ATOM 1265 C GLU A 86 68.097 -7.446 -4.424 1.00 0.00 C ATOM 1266 O GLU A 86 66.894 -7.470 -4.675 1.00 0.00 O ATOM 1267 CB GLU A 86 69.564 -9.475 -4.394 1.00 0.00 C ATOM 1268 CG GLU A 86 68.655 -10.160 -5.413 1.00 0.00 C ATOM 1269 CD GLU A 86 69.441 -11.217 -6.184 1.00 0.00 C ATOM 1270 OE1 GLU A 86 68.851 -12.227 -6.533 1.00 0.00 O ATOM 1271 OE2 GLU A 86 70.618 -10.999 -6.416 1.00 0.00 O1- ATOM 0 H GLU A 86 66.860 -9.449 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 86 69.380 -8.020 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.357 -8.930 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.046 -10.220 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 86 67.809 -10.622 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.248 -9.422 -6.104 1.00 0.00 H new ATOM 1278 N ALA A 87 68.917 -6.504 -4.886 1.00 0.00 N ATOM 1279 CA ALA A 87 68.438 -5.413 -5.741 1.00 0.00 C ATOM 1280 C ALA A 87 69.529 -4.997 -6.722 1.00 0.00 C ATOM 1281 O ALA A 87 70.712 -5.219 -6.468 1.00 0.00 O ATOM 1282 CB ALA A 87 68.043 -4.214 -4.877 1.00 0.00 C ATOM 0 H ALA A 87 69.916 -6.472 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 87 67.569 -5.760 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.688 -3.406 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.250 -4.507 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.909 -3.873 -4.309 1.00 0.00 H new ATOM 1288 N GLN A 88 69.129 -4.407 -7.855 1.00 0.00 N ATOM 1289 CA GLN A 88 70.099 -3.982 -8.877 1.00 0.00 C ATOM 1290 C GLN A 88 69.943 -2.503 -9.226 1.00 0.00 C ATOM 1291 O GLN A 88 68.832 -2.003 -9.419 1.00 0.00 O ATOM 1292 CB GLN A 88 69.912 -4.813 -10.148 1.00 0.00 C ATOM 1293 CG GLN A 88 70.280 -6.274 -9.872 1.00 0.00 C ATOM 1294 CD GLN A 88 69.983 -7.122 -11.104 1.00 0.00 C ATOM 1295 OE1 GLN A 88 68.986 -6.896 -11.791 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.798 -8.085 -11.432 1.00 0.00 N ATOM 0 H GLN A 88 68.155 -4.214 -8.088 1.00 0.00 H new ATOM 0 HA GLN A 88 71.096 -4.136 -8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.878 -4.747 -10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.537 -4.416 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.336 -6.350 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.714 -6.646 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.623 -8.271 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 88 70.610 -8.653 -12.259 1.00 0.00 H new ATOM 1305 N LEU A 89 71.082 -1.818 -9.321 1.00 0.00 N ATOM 1306 CA LEU A 89 71.114 -0.396 -9.667 1.00 0.00 C ATOM 1307 C LEU A 89 71.692 -0.218 -11.071 1.00 0.00 C ATOM 1308 O LEU A 89 72.908 -0.208 -11.256 1.00 0.00 O ATOM 1309 CB LEU A 89 71.979 0.352 -8.642 1.00 0.00 C ATOM 1310 CG LEU A 89 72.142 1.828 -9.034 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.763 2.501 -9.169 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.973 2.533 -7.951 1.00 0.00 C ATOM 0 H LEU A 89 72.002 -2.228 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 89 70.102 0.009 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.522 0.282 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.959 -0.120 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 89 72.650 1.900 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.894 3.547 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.183 1.991 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.235 2.442 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 89 73.098 3.583 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.460 2.458 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.951 2.059 -7.877 1.00 0.00 H new ATOM 1324 N LYS A 90 70.810 -0.079 -12.055 1.00 0.00 N ATOM 1325 CA LYS A 90 71.230 0.098 -13.445 1.00 0.00 C ATOM 1326 C LYS A 90 71.288 1.578 -13.795 1.00 0.00 C ATOM 1327 O LYS A 90 70.766 2.421 -13.068 1.00 0.00 O ATOM 1328 CB LYS A 90 70.230 -0.582 -14.392 1.00 0.00 C ATOM 1329 CG LYS A 90 70.094 -2.084 -14.089 1.00 0.00 C ATOM 1330 CD LYS A 90 71.357 -2.847 -14.510 1.00 0.00 C ATOM 1331 CE LYS A 90 71.134 -4.346 -14.307 1.00 0.00 C ATOM 1332 NZ LYS A 90 72.350 -5.089 -14.743 1.00 0.00 N1+ ATOM 0 H LYS A 90 69.799 -0.085 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 90 72.217 -0.350 -13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.256 -0.102 -14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.555 -0.446 -15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 90 69.916 -2.229 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 90 69.229 -2.488 -14.615 1.00 0.00 H new ATOM 0 HD2 LYS A 90 71.589 -2.641 -15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 90 72.211 -2.512 -13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.923 -4.555 -13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.267 -4.677 -14.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 72.201 -6.109 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 72.532 -4.898 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 73.167 -4.779 -14.179 1.00 0.00 H new ATOM 1346 N VAL A 91 71.911 1.884 -14.930 1.00 0.00 N ATOM 1347 CA VAL A 91 72.015 3.264 -15.404 1.00 0.00 C ATOM 1348 C VAL A 91 71.329 3.358 -16.761 1.00 0.00 C ATOM 1349 O VAL A 91 71.609 2.565 -17.659 1.00 0.00 O ATOM 1350 CB VAL A 91 73.492 3.669 -15.534 1.00 0.00 C ATOM 1351 CG1 VAL A 91 73.605 5.019 -16.251 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.114 3.784 -14.139 1.00 0.00 C ATOM 0 H VAL A 91 72.352 1.196 -15.540 1.00 0.00 H new ATOM 0 HA VAL A 91 71.536 3.938 -14.694 1.00 0.00 H new ATOM 0 HB VAL A 91 74.019 2.910 -16.112 1.00 0.00 H new ATOM 0 HG11 VAL A 91 74.655 5.298 -16.338 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.166 4.941 -17.246 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.074 5.780 -15.679 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.162 4.071 -14.230 1.00 0.00 H new ATOM 0 HG22 VAL A 91 73.579 4.540 -13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.044 2.823 -13.629 1.00 0.00 H new ATOM 1362 N THR A 92 70.420 4.318 -16.907 1.00 0.00 N ATOM 1363 CA THR A 92 69.701 4.475 -18.171 1.00 0.00 C ATOM 1364 C THR A 92 70.555 5.230 -19.185 1.00 0.00 C ATOM 1365 O THR A 92 71.532 5.888 -18.825 1.00 0.00 O ATOM 1366 CB THR A 92 68.363 5.209 -17.957 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.080 6.019 -19.089 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.430 6.091 -16.706 1.00 0.00 C ATOM 0 H THR A 92 70.166 4.988 -16.182 1.00 0.00 H new ATOM 0 HA THR A 92 69.490 3.479 -18.561 1.00 0.00 H new ATOM 0 HB THR A 92 67.574 4.468 -17.825 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.228 6.485 -18.953 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.477 6.602 -16.570 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.637 5.471 -15.834 1.00 0.00 H new ATOM 0 HG23 THR A 92 69.224 6.829 -16.823 1.00 0.00 H new ATOM 1376 N ALA A 93 70.182 5.119 -20.455 1.00 0.00 N ATOM 1377 CA ALA A 93 70.921 5.779 -21.527 1.00 0.00 C ATOM 1378 C ALA A 93 70.906 7.296 -21.356 1.00 0.00 C ATOM 1379 O ALA A 93 69.889 7.884 -20.985 1.00 0.00 O ATOM 1380 CB ALA A 93 70.306 5.412 -22.878 1.00 0.00 C ATOM 0 H ALA A 93 69.375 4.580 -20.768 1.00 0.00 H new ATOM 0 HA ALA A 93 71.956 5.439 -21.485 1.00 0.00 H new ATOM 0 HB1 ALA A 93 70.860 5.906 -23.676 1.00 0.00 H new ATOM 0 HB2 ALA A 93 70.354 4.332 -23.018 1.00 0.00 H new ATOM 0 HB3 ALA A 93 69.266 5.736 -22.904 1.00 0.00 H new ATOM 1386 N GLY A 94 72.046 7.919 -21.633 1.00 0.00 N ATOM 1387 CA GLY A 94 72.167 9.367 -21.508 1.00 0.00 C ATOM 1388 C GLY A 94 70.960 10.074 -22.116 1.00 0.00 C ATOM 1389 O GLY A 94 70.952 10.260 -23.321 1.00 0.00 O ATOM 0 H GLY A 94 72.895 7.447 -21.944 1.00 0.00 H new ATOM 0 HA2 GLY A 94 72.259 9.638 -20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 94 73.077 9.703 -22.005 1.00 0.00 H new TER 1393 GLY A 94