USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.28) USER MOD Single : A 34 THR OG1 : rot 101:sc= 1.07 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -144:sc= -0.0164 (180deg=-0.189) USER MOD Single : A 42 THR OG1 : rot -143:sc= 0.00353 USER MOD Single : A 44 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.43) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= -1.21 (180deg=-1.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 71 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -5.43! C(o=-5.4!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.673 -14.212 6.029 1.00 0.00 N ATOM 24 CA GLU A 4 3.776 -13.381 6.483 1.00 0.00 C ATOM 25 C GLU A 4 4.486 -12.742 5.288 1.00 0.00 C ATOM 26 O GLU A 4 4.770 -11.545 5.298 1.00 0.00 O ATOM 27 CB GLU A 4 4.756 -14.190 7.335 1.00 0.00 C ATOM 28 CG GLU A 4 4.883 -13.595 8.739 1.00 0.00 C ATOM 29 CD GLU A 4 3.685 -13.982 9.608 1.00 0.00 C ATOM 30 OE1 GLU A 4 3.690 -15.131 10.101 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.792 -13.121 9.761 1.00 0.00 O ATOM 0 HA GLU A 4 3.373 -12.585 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.416 -15.223 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.734 -14.207 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.804 -13.946 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.953 -12.509 8.673 1.00 0.00 H new ATOM 38 N ALA A 5 4.751 -13.568 4.287 1.00 0.00 N ATOM 39 CA ALA A 5 5.421 -13.098 3.086 1.00 0.00 C ATOM 40 C ALA A 5 4.515 -12.103 2.358 1.00 0.00 C ATOM 41 O ALA A 5 4.935 -11.467 1.392 1.00 0.00 O ATOM 42 CB ALA A 5 5.797 -14.294 2.210 1.00 0.00 C ATOM 0 H ALA A 5 4.514 -14.560 4.283 1.00 0.00 H new ATOM 0 HA ALA A 5 6.344 -12.578 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.299 -13.942 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.465 -14.955 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.895 -14.840 1.932 1.00 0.00 H new ATOM 48 N ILE A 6 3.289 -11.999 2.848 1.00 0.00 N ATOM 49 CA ILE A 6 2.320 -11.093 2.255 1.00 0.00 C ATOM 50 C ILE A 6 2.315 -9.778 3.037 1.00 0.00 C ATOM 51 O ILE A 6 2.313 -8.700 2.444 1.00 0.00 O ATOM 52 CB ILE A 6 0.946 -11.761 2.166 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.732 -12.394 0.789 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.167 -10.773 2.521 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.715 -12.859 0.619 1.00 0.00 C ATOM 0 H ILE A 6 2.944 -12.527 3.649 1.00 0.00 H new ATOM 0 HA ILE A 6 2.599 -10.854 1.229 1.00 0.00 H new ATOM 0 HB ILE A 6 0.909 -12.566 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.980 -11.672 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.407 -13.241 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.133 -11.273 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.020 -10.410 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.142 -9.932 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.840 -13.305 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.952 -13.598 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.386 -12.006 0.719 1.00 0.00 H new ATOM 67 N LYS A 7 2.312 -9.909 4.355 1.00 0.00 N ATOM 68 CA LYS A 7 2.307 -8.743 5.223 1.00 0.00 C ATOM 69 C LYS A 7 3.673 -8.057 5.155 1.00 0.00 C ATOM 70 O LYS A 7 3.766 -6.837 5.280 1.00 0.00 O ATOM 71 CB LYS A 7 1.884 -9.134 6.640 1.00 0.00 C ATOM 72 CG LYS A 7 0.893 -8.120 7.216 1.00 0.00 C ATOM 73 CD LYS A 7 1.056 -7.992 8.731 1.00 0.00 C ATOM 74 CE LYS A 7 0.119 -8.954 9.466 1.00 0.00 C ATOM 75 NZ LYS A 7 0.888 -10.061 10.076 1.00 0.00 N ATOM 0 H LYS A 7 2.313 -10.804 4.843 1.00 0.00 H new ATOM 0 HA LYS A 7 1.569 -8.017 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.430 -10.125 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.763 -9.194 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.048 -7.148 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.126 -8.429 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.089 -8.202 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.845 -6.968 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.431 -8.416 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.618 -9.355 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.238 -10.704 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.393 -10.584 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.575 -9.674 10.755 1.00 0.00 H new ATOM 89 N ASN A 8 4.700 -8.871 4.958 1.00 0.00 N ATOM 90 CA ASN A 8 6.056 -8.358 4.873 1.00 0.00 C ATOM 91 C ASN A 8 6.270 -7.723 3.498 1.00 0.00 C ATOM 92 O ASN A 8 6.662 -6.560 3.401 1.00 0.00 O ATOM 93 CB ASN A 8 7.082 -9.480 5.041 1.00 0.00 C ATOM 94 CG ASN A 8 8.250 -9.029 5.920 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.423 -7.857 6.214 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.038 -10.020 6.323 1.00 0.00 N ATOM 0 H ASN A 8 4.620 -9.883 4.855 1.00 0.00 H new ATOM 0 HA ASN A 8 6.190 -7.626 5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.603 -10.352 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.455 -9.786 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.845 -9.822 6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.836 -10.979 6.040 1.00 0.00 H new ATOM 103 N GLY A 9 6.006 -8.514 2.469 1.00 0.00 N ATOM 104 CA GLY A 9 6.166 -8.044 1.104 1.00 0.00 C ATOM 105 C GLY A 9 5.448 -6.709 0.895 1.00 0.00 C ATOM 106 O GLY A 9 5.986 -5.803 0.260 1.00 0.00 O ATOM 0 H GLY A 9 5.682 -9.478 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.226 -7.930 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.770 -8.786 0.411 1.00 0.00 H new ATOM 110 N VAL A 10 4.244 -6.629 1.443 1.00 0.00 N ATOM 111 CA VAL A 10 3.448 -5.419 1.326 1.00 0.00 C ATOM 112 C VAL A 10 4.197 -4.255 1.979 1.00 0.00 C ATOM 113 O VAL A 10 4.348 -3.194 1.375 1.00 0.00 O ATOM 114 CB VAL A 10 2.059 -5.647 1.926 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.432 -4.326 2.376 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.148 -6.378 0.936 1.00 0.00 C ATOM 0 H VAL A 10 3.801 -7.382 1.969 1.00 0.00 H new ATOM 0 HA VAL A 10 3.297 -5.161 0.278 1.00 0.00 H new ATOM 0 HB VAL A 10 2.174 -6.280 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.445 -4.517 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.066 -3.861 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.337 -3.658 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.167 -6.528 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.044 -5.782 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.584 -7.345 0.686 1.00 0.00 H new ATOM 126 N LEU A 11 4.645 -4.494 3.203 1.00 0.00 N ATOM 127 CA LEU A 11 5.373 -3.478 3.944 1.00 0.00 C ATOM 128 C LEU A 11 6.699 -3.190 3.236 1.00 0.00 C ATOM 129 O LEU A 11 7.153 -2.048 3.202 1.00 0.00 O ATOM 130 CB LEU A 11 5.536 -3.896 5.406 1.00 0.00 C ATOM 131 CG LEU A 11 5.093 -2.867 6.450 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.688 -3.189 7.823 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.432 -1.445 5.997 1.00 0.00 C ATOM 0 H LEU A 11 4.518 -5.376 3.700 1.00 0.00 H new ATOM 0 HA LEU A 11 4.811 -2.544 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.970 -4.814 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.585 -4.133 5.581 1.00 0.00 H new ATOM 0 HG LEU A 11 4.009 -2.923 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.358 -2.443 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.354 -4.176 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.776 -3.177 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.107 -0.734 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.509 -1.356 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.922 -1.231 5.058 1.00 0.00 H new ATOM 145 N ASP A 12 7.283 -4.246 2.690 1.00 0.00 N ATOM 146 CA ASP A 12 8.548 -4.122 1.985 1.00 0.00 C ATOM 147 C ASP A 12 8.329 -3.337 0.689 1.00 0.00 C ATOM 148 O ASP A 12 9.186 -2.553 0.282 1.00 0.00 O ATOM 149 CB ASP A 12 9.111 -5.494 1.616 1.00 0.00 C ATOM 150 CG ASP A 12 10.637 -5.598 1.648 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.201 -5.324 2.730 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.205 -5.949 0.591 1.00 0.00 O ATOM 0 H ASP A 12 6.904 -5.192 2.721 1.00 0.00 H new ATOM 0 HA ASP A 12 9.251 -3.610 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.697 -6.235 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.765 -5.755 0.616 1.00 0.00 H new ATOM 157 N ILE A 13 7.178 -3.574 0.078 1.00 0.00 N ATOM 158 CA ILE A 13 6.836 -2.900 -1.163 1.00 0.00 C ATOM 159 C ILE A 13 6.353 -1.482 -0.851 1.00 0.00 C ATOM 160 O ILE A 13 6.207 -0.659 -1.754 1.00 0.00 O ATOM 161 CB ILE A 13 5.831 -3.729 -1.965 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.545 -4.768 -2.831 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.911 -2.827 -2.790 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.832 -6.120 -2.766 1.00 0.00 C ATOM 0 H ILE A 13 6.470 -4.224 0.419 1.00 0.00 H new ATOM 0 HA ILE A 13 7.716 -2.806 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 13 5.200 -4.275 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.582 -4.422 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.576 -4.880 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.206 -3.441 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.362 -2.161 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.508 -2.235 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.360 -6.840 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.818 -6.475 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.809 -6.009 -3.126 1.00 0.00 H new ATOM 176 N LEU A 14 6.118 -1.240 0.431 1.00 0.00 N ATOM 177 CA LEU A 14 5.655 0.065 0.873 1.00 0.00 C ATOM 178 C LEU A 14 6.859 0.986 1.081 1.00 0.00 C ATOM 179 O LEU A 14 6.934 2.061 0.487 1.00 0.00 O ATOM 180 CB LEU A 14 4.766 -0.074 2.110 1.00 0.00 C ATOM 181 CG LEU A 14 3.270 0.161 1.891 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.945 1.656 1.883 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.786 -0.537 0.619 1.00 0.00 C ATOM 0 H LEU A 14 6.239 -1.925 1.177 1.00 0.00 H new ATOM 0 HA LEU A 14 5.030 0.526 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.900 -1.076 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.117 0.628 2.866 1.00 0.00 H new ATOM 0 HG LEU A 14 2.729 -0.282 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.875 1.795 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.231 2.096 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.496 2.144 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.720 -0.354 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.331 -0.146 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.962 -1.609 0.703 1.00 0.00 H new ATOM 195 N ALA A 15 7.772 0.531 1.927 1.00 0.00 N ATOM 196 CA ALA A 15 8.969 1.301 2.220 1.00 0.00 C ATOM 197 C ALA A 15 9.721 1.584 0.918 1.00 0.00 C ATOM 198 O ALA A 15 10.273 2.669 0.738 1.00 0.00 O ATOM 199 CB ALA A 15 9.827 0.544 3.236 1.00 0.00 C ATOM 0 H ALA A 15 7.707 -0.360 2.418 1.00 0.00 H new ATOM 0 HA ALA A 15 8.708 2.261 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.725 1.121 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.258 0.395 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.110 -0.424 2.823 1.00 0.00 H new ATOM 205 N ASP A 16 9.718 0.589 0.042 1.00 0.00 N ATOM 206 CA ASP A 16 10.393 0.717 -1.238 1.00 0.00 C ATOM 207 C ASP A 16 9.669 1.762 -2.088 1.00 0.00 C ATOM 208 O ASP A 16 10.305 2.522 -2.818 1.00 0.00 O ATOM 209 CB ASP A 16 10.378 -0.608 -2.003 1.00 0.00 C ATOM 210 CG ASP A 16 11.757 -1.217 -2.266 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.574 -0.519 -2.903 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.962 -2.369 -1.825 1.00 0.00 O ATOM 0 H ASP A 16 9.259 -0.309 0.194 1.00 0.00 H new ATOM 0 HA ASP A 16 11.425 1.012 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.780 -1.327 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.877 -0.453 -2.959 1.00 0.00 H new ATOM 217 N LEU A 17 8.350 1.768 -1.967 1.00 0.00 N ATOM 218 CA LEU A 17 7.533 2.707 -2.715 1.00 0.00 C ATOM 219 C LEU A 17 7.932 4.136 -2.340 1.00 0.00 C ATOM 220 O LEU A 17 8.311 4.925 -3.203 1.00 0.00 O ATOM 221 CB LEU A 17 6.047 2.408 -2.508 1.00 0.00 C ATOM 222 CG LEU A 17 5.248 2.068 -3.768 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.811 1.677 -3.418 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.300 3.216 -4.778 1.00 0.00 C ATOM 0 H LEU A 17 7.826 1.136 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 17 7.710 2.597 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.958 1.575 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.586 3.273 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 17 5.711 1.202 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.266 1.440 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.820 0.805 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.322 2.507 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.724 2.948 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.878 4.115 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.335 3.404 -5.062 1.00 0.00 H new ATOM 236 N THR A 18 7.833 4.424 -1.051 1.00 0.00 N ATOM 237 CA THR A 18 8.179 5.743 -0.550 1.00 0.00 C ATOM 238 C THR A 18 9.688 5.973 -0.651 1.00 0.00 C ATOM 239 O THR A 18 10.131 7.072 -0.980 1.00 0.00 O ATOM 240 CB THR A 18 7.640 5.864 0.877 1.00 0.00 C ATOM 241 OG1 THR A 18 8.514 5.045 1.649 1.00 0.00 O ATOM 242 CG2 THR A 18 6.268 5.205 1.042 1.00 0.00 C ATOM 0 H THR A 18 7.518 3.766 -0.338 1.00 0.00 H new ATOM 0 HA THR A 18 7.721 6.527 -1.153 1.00 0.00 H new ATOM 0 HB THR A 18 7.573 6.917 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.238 5.067 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.931 5.319 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.553 5.681 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.342 4.145 0.800 1.00 0.00 H new ATOM 250 N GLY A 19 10.436 4.918 -0.361 1.00 0.00 N ATOM 251 CA GLY A 19 11.886 4.991 -0.415 1.00 0.00 C ATOM 252 C GLY A 19 12.464 5.423 0.934 1.00 0.00 C ATOM 253 O GLY A 19 13.644 5.755 1.031 1.00 0.00 O ATOM 0 H GLY A 19 10.065 4.008 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.292 4.019 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.190 5.697 -1.188 1.00 0.00 H new ATOM 257 N SER A 20 11.604 5.405 1.942 1.00 0.00 N ATOM 258 CA SER A 20 12.015 5.792 3.282 1.00 0.00 C ATOM 259 C SER A 20 11.587 4.722 4.289 1.00 0.00 C ATOM 260 O SER A 20 10.657 3.959 4.032 1.00 0.00 O ATOM 261 CB SER A 20 11.426 7.150 3.668 1.00 0.00 C ATOM 262 OG SER A 20 12.234 8.231 3.210 1.00 0.00 O ATOM 0 H SER A 20 10.626 5.129 1.858 1.00 0.00 H new ATOM 0 HA SER A 20 13.101 5.881 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.424 7.243 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.325 7.207 4.752 1.00 0.00 H new ATOM 0 HG SER A 20 11.824 9.081 3.474 1.00 0.00 H new ATOM 268 N ASP A 21 12.284 4.703 5.415 1.00 0.00 N ATOM 269 CA ASP A 21 11.988 3.739 6.462 1.00 0.00 C ATOM 270 C ASP A 21 10.989 4.353 7.445 1.00 0.00 C ATOM 271 O ASP A 21 11.074 4.117 8.649 1.00 0.00 O ATOM 272 CB ASP A 21 13.251 3.366 7.241 1.00 0.00 C ATOM 273 CG ASP A 21 14.320 4.459 7.301 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.986 4.659 6.262 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.448 5.069 8.384 1.00 0.00 O ATOM 0 H ASP A 21 13.053 5.339 5.626 1.00 0.00 H new ATOM 0 HA ASP A 21 11.578 2.845 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.967 3.101 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.688 2.475 6.790 1.00 0.00 H new ATOM 280 N ASP A 22 10.066 5.128 6.896 1.00 0.00 N ATOM 281 CA ASP A 22 9.052 5.777 7.710 1.00 0.00 C ATOM 282 C ASP A 22 7.790 4.912 7.729 1.00 0.00 C ATOM 283 O ASP A 22 7.145 4.773 8.767 1.00 0.00 O ATOM 284 CB ASP A 22 8.680 7.146 7.137 1.00 0.00 C ATOM 285 CG ASP A 22 8.284 8.196 8.177 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.535 7.822 9.105 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.739 9.349 8.021 1.00 0.00 O ATOM 0 H ASP A 22 9.999 5.321 5.897 1.00 0.00 H new ATOM 0 HA ASP A 22 9.455 5.905 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.526 7.525 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.853 7.018 6.438 1.00 0.00 H new ATOM 292 N VAL A 23 7.474 4.356 6.568 1.00 0.00 N ATOM 293 CA VAL A 23 6.301 3.510 6.439 1.00 0.00 C ATOM 294 C VAL A 23 6.636 2.102 6.934 1.00 0.00 C ATOM 295 O VAL A 23 5.740 1.282 7.138 1.00 0.00 O ATOM 296 CB VAL A 23 5.797 3.532 4.994 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.797 2.853 4.055 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.416 2.883 4.886 1.00 0.00 C ATOM 0 H VAL A 23 8.010 4.475 5.709 1.00 0.00 H new ATOM 0 HA VAL A 23 5.488 3.887 7.059 1.00 0.00 H new ATOM 0 HB VAL A 23 5.703 4.574 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.415 2.882 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.752 3.377 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.937 1.816 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.081 2.912 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.474 1.847 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.708 3.427 5.511 1.00 0.00 H new ATOM 308 N LYS A 24 7.927 1.864 7.114 1.00 0.00 N ATOM 309 CA LYS A 24 8.390 0.569 7.582 1.00 0.00 C ATOM 310 C LYS A 24 8.080 0.429 9.074 1.00 0.00 C ATOM 311 O LYS A 24 7.994 -0.683 9.593 1.00 0.00 O ATOM 312 CB LYS A 24 9.869 0.373 7.241 1.00 0.00 C ATOM 313 CG LYS A 24 10.371 -0.984 7.737 1.00 0.00 C ATOM 314 CD LYS A 24 11.620 -0.822 8.605 1.00 0.00 C ATOM 315 CE LYS A 24 12.360 -2.153 8.756 1.00 0.00 C ATOM 316 NZ LYS A 24 13.656 -1.951 9.441 1.00 0.00 N ATOM 0 H LYS A 24 8.666 2.546 6.944 1.00 0.00 H new ATOM 0 HA LYS A 24 7.859 -0.233 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.010 0.445 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.459 1.170 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.587 -1.478 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.596 -1.626 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.284 -0.082 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.338 -0.445 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.748 -2.854 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.526 -2.597 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.145 -2.864 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.245 -1.299 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.490 -1.548 10.385 1.00 0.00 H new ATOM 330 N LYS A 25 7.920 1.574 9.722 1.00 0.00 N ATOM 331 CA LYS A 25 7.621 1.593 11.144 1.00 0.00 C ATOM 332 C LYS A 25 6.161 2.004 11.348 1.00 0.00 C ATOM 333 O LYS A 25 5.341 1.197 11.784 1.00 0.00 O ATOM 334 CB LYS A 25 8.619 2.481 11.890 1.00 0.00 C ATOM 335 CG LYS A 25 8.376 2.432 13.399 1.00 0.00 C ATOM 336 CD LYS A 25 7.389 3.517 13.832 1.00 0.00 C ATOM 337 CE LYS A 25 7.913 4.281 15.050 1.00 0.00 C ATOM 338 NZ LYS A 25 6.788 4.816 15.850 1.00 0.00 N ATOM 0 H LYS A 25 7.992 2.495 9.289 1.00 0.00 H new ATOM 0 HA LYS A 25 7.735 0.596 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.636 2.155 11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.531 3.509 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.989 1.452 13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.320 2.563 13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.221 4.210 13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.426 3.064 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.523 3.621 15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.557 5.098 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.161 5.332 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.222 5.462 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.190 4.030 16.176 1.00 0.00 H new ATOM 352 N ASN A 26 5.881 3.257 11.023 1.00 0.00 N ATOM 353 CA ASN A 26 4.534 3.784 11.166 1.00 0.00 C ATOM 354 C ASN A 26 3.570 2.943 10.325 1.00 0.00 C ATOM 355 O ASN A 26 3.872 2.603 9.182 1.00 0.00 O ATOM 356 CB ASN A 26 4.454 5.230 10.672 1.00 0.00 C ATOM 357 CG ASN A 26 4.486 6.212 11.844 1.00 0.00 C ATOM 358 OD1 ASN A 26 3.468 6.588 12.402 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.710 6.607 12.186 1.00 0.00 N ATOM 0 H ASN A 26 6.564 3.923 10.661 1.00 0.00 H new ATOM 0 HA ASN A 26 4.268 3.748 12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.286 5.435 9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.538 5.372 10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.838 7.263 12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.521 6.254 11.677 1.00 0.00 H new ATOM 366 N LEU A 27 2.430 2.633 10.924 1.00 0.00 N ATOM 367 CA LEU A 27 1.421 1.839 10.244 1.00 0.00 C ATOM 368 C LEU A 27 0.202 2.716 9.949 1.00 0.00 C ATOM 369 O LEU A 27 -0.931 2.236 9.963 1.00 0.00 O ATOM 370 CB LEU A 27 1.092 0.583 11.055 1.00 0.00 C ATOM 371 CG LEU A 27 2.165 -0.507 11.068 1.00 0.00 C ATOM 372 CD1 LEU A 27 2.150 -1.277 12.389 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.018 -1.435 9.860 1.00 0.00 C ATOM 0 H LEU A 27 2.183 2.917 11.872 1.00 0.00 H new ATOM 0 HA LEU A 27 1.798 1.483 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.893 0.881 12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.170 0.153 10.663 1.00 0.00 H new ATOM 0 HG LEU A 27 3.140 -0.027 10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.923 -2.046 12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.341 -0.590 13.213 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.175 -1.745 12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.793 -2.201 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.037 -1.910 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.119 -0.856 8.942 1.00 0.00 H new ATOM 385 N ASP A 28 0.476 3.986 9.688 1.00 0.00 N ATOM 386 CA ASP A 28 -0.583 4.934 9.389 1.00 0.00 C ATOM 387 C ASP A 28 0.030 6.216 8.820 1.00 0.00 C ATOM 388 O ASP A 28 -0.507 7.305 9.016 1.00 0.00 O ATOM 389 CB ASP A 28 -1.364 5.303 10.652 1.00 0.00 C ATOM 390 CG ASP A 28 -2.869 5.039 10.582 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.234 3.843 10.546 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.622 6.038 10.568 1.00 0.00 O ATOM 0 H ASP A 28 1.417 4.380 9.678 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.258 4.470 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.951 4.745 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.205 6.361 10.863 1.00 0.00 H new ATOM 397 N LEU A 29 1.145 6.042 8.127 1.00 0.00 N ATOM 398 CA LEU A 29 1.838 7.171 7.529 1.00 0.00 C ATOM 399 C LEU A 29 1.213 7.481 6.167 1.00 0.00 C ATOM 400 O LEU A 29 1.578 6.876 5.160 1.00 0.00 O ATOM 401 CB LEU A 29 3.344 6.906 7.470 1.00 0.00 C ATOM 402 CG LEU A 29 4.236 8.140 7.329 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.357 8.884 8.661 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.605 7.765 6.756 1.00 0.00 C ATOM 0 H LEU A 29 1.586 5.137 7.966 1.00 0.00 H new ATOM 0 HA LEU A 29 1.720 8.062 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.635 6.373 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.543 6.240 6.630 1.00 0.00 H new ATOM 0 HG LEU A 29 3.766 8.822 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.997 9.757 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.368 9.203 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.792 8.222 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.220 8.661 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.095 7.054 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.476 7.313 5.773 1.00 0.00 H new ATOM 416 N ASN A 30 0.283 8.425 6.179 1.00 0.00 N ATOM 417 CA ASN A 30 -0.394 8.824 4.957 1.00 0.00 C ATOM 418 C ASN A 30 0.618 8.873 3.810 1.00 0.00 C ATOM 419 O ASN A 30 1.509 9.721 3.802 1.00 0.00 O ATOM 420 CB ASN A 30 -1.015 10.214 5.100 1.00 0.00 C ATOM 421 CG ASN A 30 -1.768 10.345 6.426 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.428 11.139 7.287 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.808 9.524 6.541 1.00 0.00 N ATOM 0 H ASN A 30 -0.017 8.925 7.016 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.181 8.097 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.234 10.972 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.698 10.398 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.375 9.535 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.038 8.883 5.782 1.00 0.00 H new ATOM 430 N LEU A 31 0.445 7.956 2.871 1.00 0.00 N ATOM 431 CA LEU A 31 1.332 7.884 1.723 1.00 0.00 C ATOM 432 C LEU A 31 1.008 9.029 0.761 1.00 0.00 C ATOM 433 O LEU A 31 1.741 9.265 -0.198 1.00 0.00 O ATOM 434 CB LEU A 31 1.260 6.500 1.076 1.00 0.00 C ATOM 435 CG LEU A 31 1.336 5.307 2.032 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.456 4.156 1.543 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.786 4.869 2.247 1.00 0.00 C ATOM 0 H LEU A 31 -0.297 7.256 2.881 1.00 0.00 H new ATOM 0 HA LEU A 31 2.369 8.012 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.328 6.431 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.073 6.415 0.355 1.00 0.00 H new ATOM 0 HG LEU A 31 0.947 5.620 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.528 3.321 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.580 4.490 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.791 3.835 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.812 4.020 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.224 4.580 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.356 5.695 2.673 1.00 0.00 H new ATOM 449 N PHE A 32 -0.091 9.711 1.052 1.00 0.00 N ATOM 450 CA PHE A 32 -0.520 10.827 0.226 1.00 0.00 C ATOM 451 C PHE A 32 -0.331 12.156 0.958 1.00 0.00 C ATOM 452 O PHE A 32 0.178 13.117 0.385 1.00 0.00 O ATOM 453 CB PHE A 32 -2.009 10.623 -0.061 1.00 0.00 C ATOM 454 CG PHE A 32 -2.319 10.262 -1.516 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.775 9.145 -2.070 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.137 11.059 -2.253 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.063 8.812 -3.420 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.425 10.725 -3.603 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.882 9.608 -4.158 1.00 0.00 C ATOM 0 H PHE A 32 -0.697 9.512 1.848 1.00 0.00 H new ATOM 0 HA PHE A 32 0.070 10.861 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.389 9.833 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.547 11.535 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.125 8.512 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.568 11.946 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.631 7.926 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.075 11.358 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.101 9.354 -5.184 1.00 0.00 H new ATOM 469 N GLU A 33 -0.752 12.168 2.214 1.00 0.00 N ATOM 470 CA GLU A 33 -0.635 13.364 3.031 1.00 0.00 C ATOM 471 C GLU A 33 0.830 13.625 3.386 1.00 0.00 C ATOM 472 O GLU A 33 1.176 14.708 3.853 1.00 0.00 O ATOM 473 CB GLU A 33 -1.494 13.252 4.293 1.00 0.00 C ATOM 474 CG GLU A 33 -2.243 14.558 4.564 1.00 0.00 C ATOM 475 CD GLU A 33 -2.378 14.810 6.068 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.699 13.835 6.780 1.00 0.00 O ATOM 477 OE2 GLU A 33 -2.158 15.973 6.470 1.00 0.00 O ATOM 0 H GLU A 33 -1.175 11.369 2.686 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.004 14.212 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.208 12.436 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.862 13.007 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.713 15.389 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.232 14.516 4.108 1.00 0.00 H new ATOM 484 N THR A 34 1.652 12.613 3.149 1.00 0.00 N ATOM 485 CA THR A 34 3.072 12.719 3.437 1.00 0.00 C ATOM 486 C THR A 34 3.853 13.029 2.159 1.00 0.00 C ATOM 487 O THR A 34 5.027 13.395 2.218 1.00 0.00 O ATOM 488 CB THR A 34 3.513 11.423 4.120 1.00 0.00 C ATOM 489 OG1 THR A 34 2.639 11.304 5.238 1.00 0.00 O ATOM 490 CG2 THR A 34 4.905 11.536 4.746 1.00 0.00 C ATOM 0 H THR A 34 1.361 11.716 2.761 1.00 0.00 H new ATOM 0 HA THR A 34 3.278 13.547 4.115 1.00 0.00 H new ATOM 0 HB THR A 34 3.506 10.610 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.931 10.659 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.170 10.590 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.634 11.772 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.904 12.327 5.496 1.00 0.00 H new ATOM 498 N GLY A 35 3.172 12.872 1.034 1.00 0.00 N ATOM 499 CA GLY A 35 3.788 13.132 -0.256 1.00 0.00 C ATOM 500 C GLY A 35 4.717 11.985 -0.660 1.00 0.00 C ATOM 501 O GLY A 35 5.461 12.098 -1.633 1.00 0.00 O ATOM 0 H GLY A 35 2.199 12.568 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.015 13.262 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.352 14.064 -0.213 1.00 0.00 H new ATOM 505 N LEU A 36 4.642 10.907 0.105 1.00 0.00 N ATOM 506 CA LEU A 36 5.466 9.740 -0.160 1.00 0.00 C ATOM 507 C LEU A 36 5.044 9.116 -1.493 1.00 0.00 C ATOM 508 O LEU A 36 5.873 8.564 -2.214 1.00 0.00 O ATOM 509 CB LEU A 36 5.414 8.767 1.019 1.00 0.00 C ATOM 510 CG LEU A 36 6.141 9.212 2.289 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.655 8.421 3.505 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.658 9.119 2.114 1.00 0.00 C ATOM 0 H LEU A 36 4.022 10.817 0.910 1.00 0.00 H new ATOM 0 HA LEU A 36 6.513 10.027 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.369 8.584 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.836 7.815 0.697 1.00 0.00 H new ATOM 0 HG LEU A 36 5.901 10.260 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.188 8.757 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.586 8.582 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.845 7.359 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.151 9.441 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.937 8.088 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.969 9.761 1.290 1.00 0.00 H new ATOM 524 N LEU A 37 3.755 9.226 -1.778 1.00 0.00 N ATOM 525 CA LEU A 37 3.213 8.679 -3.011 1.00 0.00 C ATOM 526 C LEU A 37 2.603 9.811 -3.841 1.00 0.00 C ATOM 527 O LEU A 37 2.505 10.945 -3.374 1.00 0.00 O ATOM 528 CB LEU A 37 2.234 7.543 -2.708 1.00 0.00 C ATOM 529 CG LEU A 37 2.077 6.483 -3.801 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.420 5.091 -3.269 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.676 6.533 -4.415 1.00 0.00 C ATOM 0 H LEU A 37 3.070 9.685 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 37 4.006 8.234 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.556 7.047 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.255 7.978 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 37 2.787 6.706 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.300 4.357 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.452 5.080 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.753 4.842 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.590 5.770 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.068 6.349 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.506 7.516 -4.854 1.00 0.00 H new ATOM 543 N ASP A 38 2.211 9.464 -5.058 1.00 0.00 N ATOM 544 CA ASP A 38 1.614 10.436 -5.957 1.00 0.00 C ATOM 545 C ASP A 38 0.398 9.810 -6.644 1.00 0.00 C ATOM 546 O ASP A 38 -0.713 10.327 -6.539 1.00 0.00 O ATOM 547 CB ASP A 38 2.603 10.861 -7.044 1.00 0.00 C ATOM 548 CG ASP A 38 2.896 12.362 -7.101 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.032 13.127 -6.619 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.976 12.710 -7.624 1.00 0.00 O ATOM 0 H ASP A 38 2.295 8.523 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 38 1.328 11.308 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.541 10.329 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.214 10.545 -8.012 1.00 0.00 H new ATOM 555 N SER A 39 0.650 8.706 -7.332 1.00 0.00 N ATOM 556 CA SER A 39 -0.410 8.004 -8.036 1.00 0.00 C ATOM 557 C SER A 39 0.182 6.879 -8.886 1.00 0.00 C ATOM 558 O SER A 39 -0.331 5.760 -8.886 1.00 0.00 O ATOM 559 CB SER A 39 -1.217 8.963 -8.913 1.00 0.00 C ATOM 560 OG SER A 39 -1.973 8.272 -9.904 1.00 0.00 O ATOM 0 H SER A 39 1.573 8.280 -7.417 1.00 0.00 H new ATOM 0 HA SER A 39 -1.086 7.575 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.890 9.548 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.541 9.667 -9.398 1.00 0.00 H new ATOM 0 HG SER A 39 -2.475 8.919 -10.442 1.00 0.00 H new ATOM 566 N MET A 40 1.253 7.212 -9.590 1.00 0.00 N ATOM 567 CA MET A 40 1.921 6.244 -10.443 1.00 0.00 C ATOM 568 C MET A 40 2.490 5.088 -9.618 1.00 0.00 C ATOM 569 O MET A 40 2.761 4.014 -10.153 1.00 0.00 O ATOM 570 CB MET A 40 3.054 6.931 -11.208 1.00 0.00 C ATOM 571 CG MET A 40 2.850 6.805 -12.719 1.00 0.00 C ATOM 572 SD MET A 40 3.280 8.339 -13.523 1.00 0.00 S ATOM 573 CE MET A 40 1.873 9.336 -13.061 1.00 0.00 C ATOM 0 H MET A 40 1.676 8.140 -9.587 1.00 0.00 H new ATOM 0 HA MET A 40 1.190 5.841 -11.144 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.099 7.984 -10.930 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.009 6.486 -10.928 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.465 5.995 -13.111 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.812 6.551 -12.934 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.614 10.003 -13.883 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.025 8.688 -12.839 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.119 9.926 -12.178 1.00 0.00 H new ATOM 583 N GLY A 41 2.654 5.347 -8.329 1.00 0.00 N ATOM 584 CA GLY A 41 3.187 4.341 -7.425 1.00 0.00 C ATOM 585 C GLY A 41 2.160 3.236 -7.169 1.00 0.00 C ATOM 586 O GLY A 41 2.495 2.054 -7.196 1.00 0.00 O ATOM 0 H GLY A 41 2.427 6.239 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.093 3.909 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.468 4.807 -6.481 1.00 0.00 H new ATOM 590 N THR A 42 0.929 3.662 -6.925 1.00 0.00 N ATOM 591 CA THR A 42 -0.150 2.723 -6.664 1.00 0.00 C ATOM 592 C THR A 42 -0.304 1.749 -7.834 1.00 0.00 C ATOM 593 O THR A 42 -0.664 0.589 -7.638 1.00 0.00 O ATOM 594 CB THR A 42 -1.417 3.528 -6.372 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.700 3.246 -5.005 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.638 2.990 -7.124 1.00 0.00 C ATOM 0 H THR A 42 0.655 4.644 -6.902 1.00 0.00 H new ATOM 0 HA THR A 42 0.066 2.104 -5.793 1.00 0.00 H new ATOM 0 HB THR A 42 -1.255 4.572 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.670 3.186 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.511 3.597 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.452 3.033 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.821 1.957 -6.829 1.00 0.00 H new ATOM 604 N VAL A 43 -0.023 2.257 -9.025 1.00 0.00 N ATOM 605 CA VAL A 43 -0.126 1.446 -10.227 1.00 0.00 C ATOM 606 C VAL A 43 0.876 0.292 -10.146 1.00 0.00 C ATOM 607 O VAL A 43 0.524 -0.858 -10.402 1.00 0.00 O ATOM 608 CB VAL A 43 0.069 2.321 -11.467 1.00 0.00 C ATOM 609 CG1 VAL A 43 0.133 1.468 -12.736 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.033 3.378 -11.572 1.00 0.00 C ATOM 0 H VAL A 43 0.276 3.219 -9.184 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.121 1.008 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 43 1.022 2.840 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.272 2.115 -13.602 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.969 0.772 -12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.796 0.909 -12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.870 3.986 -12.462 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.003 2.886 -11.641 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.011 4.015 -10.688 1.00 0.00 H new ATOM 620 N GLN A 44 2.103 0.640 -9.789 1.00 0.00 N ATOM 621 CA GLN A 44 3.157 -0.352 -9.671 1.00 0.00 C ATOM 622 C GLN A 44 2.863 -1.306 -8.512 1.00 0.00 C ATOM 623 O GLN A 44 2.799 -2.519 -8.702 1.00 0.00 O ATOM 624 CB GLN A 44 4.523 0.317 -9.498 1.00 0.00 C ATOM 625 CG GLN A 44 5.651 -0.715 -9.560 1.00 0.00 C ATOM 626 CD GLN A 44 6.934 -0.092 -10.113 1.00 0.00 C ATOM 627 OE1 GLN A 44 7.462 0.875 -9.588 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.405 -0.699 -11.200 1.00 0.00 N ATOM 0 H GLN A 44 2.391 1.595 -9.578 1.00 0.00 H new ATOM 0 HA GLN A 44 3.187 -0.932 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.667 1.065 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.557 0.841 -8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.837 -1.116 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.349 -1.552 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.913 -1.504 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.258 -0.359 -11.645 1.00 0.00 H new ATOM 637 N LEU A 45 2.690 -0.720 -7.336 1.00 0.00 N ATOM 638 CA LEU A 45 2.403 -1.503 -6.145 1.00 0.00 C ATOM 639 C LEU A 45 1.346 -2.557 -6.476 1.00 0.00 C ATOM 640 O LEU A 45 1.498 -3.726 -6.124 1.00 0.00 O ATOM 641 CB LEU A 45 2.016 -0.586 -4.983 1.00 0.00 C ATOM 642 CG LEU A 45 0.774 -0.998 -4.189 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.885 -2.447 -3.711 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.517 -0.030 -3.033 1.00 0.00 C ATOM 0 H LEU A 45 2.743 0.287 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 45 3.294 -2.038 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.860 -0.528 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.855 0.418 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.090 -0.944 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.010 -2.715 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.984 -3.108 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.760 -2.553 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.371 -0.345 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.376 -0.028 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.362 0.974 -3.427 1.00 0.00 H new ATOM 656 N LEU A 46 0.296 -2.107 -7.149 1.00 0.00 N ATOM 657 CA LEU A 46 -0.786 -2.997 -7.532 1.00 0.00 C ATOM 658 C LEU A 46 -0.223 -4.149 -8.366 1.00 0.00 C ATOM 659 O LEU A 46 -0.652 -5.292 -8.221 1.00 0.00 O ATOM 660 CB LEU A 46 -1.900 -2.217 -8.233 1.00 0.00 C ATOM 661 CG LEU A 46 -3.163 -1.964 -7.408 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.215 -1.217 -8.231 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.710 -3.269 -6.829 1.00 0.00 C ATOM 0 H LEU A 46 0.172 -1.137 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.246 -3.439 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.498 -1.255 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.182 -2.758 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.898 -1.324 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.103 -1.050 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.811 -0.258 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.482 -1.811 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.608 -3.061 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.955 -3.953 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.958 -3.725 -6.185 1.00 0.00 H new ATOM 675 N LEU A 47 0.730 -3.807 -9.222 1.00 0.00 N ATOM 676 CA LEU A 47 1.356 -4.798 -10.079 1.00 0.00 C ATOM 677 C LEU A 47 1.949 -5.913 -9.215 1.00 0.00 C ATOM 678 O LEU A 47 1.839 -7.091 -9.553 1.00 0.00 O ATOM 679 CB LEU A 47 2.373 -4.135 -11.011 1.00 0.00 C ATOM 680 CG LEU A 47 2.373 -4.623 -12.460 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.813 -6.087 -12.547 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.010 -4.394 -13.116 1.00 0.00 C ATOM 0 H LEU A 47 1.083 -2.857 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 47 0.615 -5.260 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.190 -3.061 -11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.369 -4.289 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 47 3.102 -4.035 -13.018 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.804 -6.408 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.821 -6.189 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.128 -6.708 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.037 -4.750 -14.146 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.244 -4.939 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.776 -3.330 -13.106 1.00 0.00 H new ATOM 694 N GLU A 48 2.564 -5.503 -8.116 1.00 0.00 N ATOM 695 CA GLU A 48 3.174 -6.452 -7.201 1.00 0.00 C ATOM 696 C GLU A 48 2.103 -7.117 -6.334 1.00 0.00 C ATOM 697 O GLU A 48 2.284 -8.243 -5.872 1.00 0.00 O ATOM 698 CB GLU A 48 4.236 -5.773 -6.334 1.00 0.00 C ATOM 699 CG GLU A 48 5.633 -6.299 -6.667 1.00 0.00 C ATOM 700 CD GLU A 48 5.753 -7.788 -6.332 1.00 0.00 C ATOM 701 OE1 GLU A 48 4.691 -8.443 -6.275 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.905 -8.235 -6.140 1.00 0.00 O ATOM 0 H GLU A 48 2.653 -4.526 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 48 3.671 -7.225 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.203 -4.695 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.018 -5.950 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.842 -6.143 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.380 -5.736 -6.108 1.00 0.00 H new ATOM 709 N LEU A 49 1.010 -6.393 -6.140 1.00 0.00 N ATOM 710 CA LEU A 49 -0.090 -6.899 -5.337 1.00 0.00 C ATOM 711 C LEU A 49 -0.972 -7.803 -6.201 1.00 0.00 C ATOM 712 O LEU A 49 -1.877 -8.463 -5.691 1.00 0.00 O ATOM 713 CB LEU A 49 -0.850 -5.744 -4.682 1.00 0.00 C ATOM 714 CG LEU A 49 -0.356 -5.316 -3.298 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.314 -4.307 -2.662 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.123 -6.531 -2.398 1.00 0.00 C ATOM 0 H LEU A 49 0.863 -5.460 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 49 0.286 -7.509 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.802 -4.881 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.900 -6.026 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 49 0.605 -4.816 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.940 -4.019 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.385 -3.423 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.300 -4.758 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.228 -6.198 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.057 -7.081 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.626 -7.181 -2.850 1.00 0.00 H new ATOM 728 N GLN A 50 -0.678 -7.805 -7.493 1.00 0.00 N ATOM 729 CA GLN A 50 -1.432 -8.619 -8.431 1.00 0.00 C ATOM 730 C GLN A 50 -0.567 -9.767 -8.953 1.00 0.00 C ATOM 731 O GLN A 50 -0.930 -10.431 -9.924 1.00 0.00 O ATOM 732 CB GLN A 50 -1.969 -7.768 -9.585 1.00 0.00 C ATOM 733 CG GLN A 50 -2.905 -8.584 -10.478 1.00 0.00 C ATOM 734 CD GLN A 50 -4.195 -7.816 -10.768 1.00 0.00 C ATOM 735 OE1 GLN A 50 -5.289 -8.243 -10.441 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.006 -6.660 -11.399 1.00 0.00 N ATOM 0 H GLN A 50 0.072 -7.256 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.288 -9.045 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.501 -6.904 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.138 -7.385 -10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.402 -8.824 -11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.143 -9.531 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.062 -6.361 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.805 -6.073 -11.638 1.00 0.00 H new ATOM 745 N SER A 51 0.560 -9.967 -8.287 1.00 0.00 N ATOM 746 CA SER A 51 1.480 -11.023 -8.672 1.00 0.00 C ATOM 747 C SER A 51 1.783 -11.918 -7.468 1.00 0.00 C ATOM 748 O SER A 51 1.518 -13.119 -7.499 1.00 0.00 O ATOM 749 CB SER A 51 2.777 -10.445 -9.242 1.00 0.00 C ATOM 750 OG SER A 51 3.322 -11.267 -10.270 1.00 0.00 O ATOM 0 H SER A 51 0.857 -9.415 -7.482 1.00 0.00 H new ATOM 0 HA SER A 51 1.007 -11.620 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.586 -9.448 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.508 -10.335 -8.441 1.00 0.00 H new ATOM 0 HG SER A 51 4.148 -10.863 -10.609 1.00 0.00 H new ATOM 756 N GLN A 52 2.334 -11.299 -6.434 1.00 0.00 N ATOM 757 CA GLN A 52 2.676 -12.024 -5.222 1.00 0.00 C ATOM 758 C GLN A 52 1.413 -12.330 -4.414 1.00 0.00 C ATOM 759 O GLN A 52 1.404 -13.248 -3.594 1.00 0.00 O ATOM 760 CB GLN A 52 3.688 -11.243 -4.383 1.00 0.00 C ATOM 761 CG GLN A 52 5.017 -11.092 -5.126 1.00 0.00 C ATOM 762 CD GLN A 52 5.985 -12.216 -4.752 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.788 -13.375 -5.078 1.00 0.00 O ATOM 764 NE2 GLN A 52 7.040 -11.810 -4.051 1.00 0.00 N ATOM 0 H GLN A 52 2.552 -10.303 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 52 3.141 -12.968 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.286 -10.258 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.853 -11.756 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.840 -11.103 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.464 -10.127 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.144 -10.824 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.745 -12.485 -3.753 1.00 0.00 H new ATOM 773 N PHE A 53 0.379 -11.543 -4.671 1.00 0.00 N ATOM 774 CA PHE A 53 -0.886 -11.719 -3.977 1.00 0.00 C ATOM 775 C PHE A 53 -2.023 -11.982 -4.967 1.00 0.00 C ATOM 776 O PHE A 53 -2.895 -12.811 -4.710 1.00 0.00 O ATOM 777 CB PHE A 53 -1.170 -10.415 -3.228 1.00 0.00 C ATOM 778 CG PHE A 53 0.046 -9.841 -2.498 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.086 -9.329 -3.209 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.086 -9.839 -1.139 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.215 -8.795 -2.532 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.214 -9.306 -0.462 1.00 0.00 C ATOM 783 CZ PHE A 53 2.255 -8.794 -1.173 1.00 0.00 C ATOM 0 H PHE A 53 0.391 -10.782 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.824 -12.572 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.539 -9.674 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.967 -10.589 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.054 -9.328 -4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.741 -10.243 -0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.042 -8.390 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.246 -9.307 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.113 -8.387 -0.658 1.00 0.00 H new ATOM 793 N GLY A 54 -1.976 -11.261 -6.078 1.00 0.00 N ATOM 794 CA GLY A 54 -2.991 -11.407 -7.107 1.00 0.00 C ATOM 795 C GLY A 54 -4.270 -10.660 -6.724 1.00 0.00 C ATOM 796 O GLY A 54 -5.370 -11.196 -6.857 1.00 0.00 O ATOM 0 H GLY A 54 -1.251 -10.575 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.612 -11.024 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.213 -12.464 -7.256 1.00 0.00 H new ATOM 800 N VAL A 55 -4.086 -9.435 -6.257 1.00 0.00 N ATOM 801 CA VAL A 55 -5.212 -8.609 -5.854 1.00 0.00 C ATOM 802 C VAL A 55 -5.858 -7.994 -7.097 1.00 0.00 C ATOM 803 O VAL A 55 -5.166 -7.641 -8.051 1.00 0.00 O ATOM 804 CB VAL A 55 -4.755 -7.561 -4.837 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.940 -6.737 -4.329 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.004 -8.215 -3.676 1.00 0.00 C ATOM 0 H VAL A 55 -3.173 -8.993 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.971 -9.214 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.067 -6.882 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.588 -6.000 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.414 -6.227 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.663 -7.397 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.690 -7.448 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.659 -8.927 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.127 -8.737 -4.058 1.00 0.00 H new ATOM 816 N ASP A 56 -7.178 -7.885 -7.045 1.00 0.00 N ATOM 817 CA ASP A 56 -7.925 -7.318 -8.155 1.00 0.00 C ATOM 818 C ASP A 56 -8.462 -5.943 -7.754 1.00 0.00 C ATOM 819 O ASP A 56 -9.544 -5.545 -8.184 1.00 0.00 O ATOM 820 CB ASP A 56 -9.118 -8.202 -8.524 1.00 0.00 C ATOM 821 CG ASP A 56 -9.203 -8.591 -10.001 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.078 -7.672 -10.838 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.389 -9.801 -10.259 1.00 0.00 O ATOM 0 H ASP A 56 -7.749 -8.179 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.253 -7.243 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.075 -9.112 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.035 -7.682 -8.247 1.00 0.00 H new ATOM 828 N ALA A 57 -7.680 -5.254 -6.934 1.00 0.00 N ATOM 829 CA ALA A 57 -8.063 -3.931 -6.471 1.00 0.00 C ATOM 830 C ALA A 57 -8.542 -3.097 -7.660 1.00 0.00 C ATOM 831 O ALA A 57 -7.961 -3.162 -8.743 1.00 0.00 O ATOM 832 CB ALA A 57 -6.883 -3.284 -5.742 1.00 0.00 C ATOM 0 H ALA A 57 -6.784 -5.587 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.888 -3.997 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.170 -2.292 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.601 -3.900 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.037 -3.199 -6.424 1.00 0.00 H new ATOM 838 N PRO A 58 -9.625 -2.313 -7.413 1.00 0.00 N ATOM 839 CA PRO A 58 -10.189 -1.467 -8.451 1.00 0.00 C ATOM 840 C PRO A 58 -9.311 -0.237 -8.693 1.00 0.00 C ATOM 841 O PRO A 58 -8.775 0.342 -7.751 1.00 0.00 O ATOM 842 CB PRO A 58 -11.583 -1.114 -7.957 1.00 0.00 C ATOM 843 CG PRO A 58 -11.577 -1.387 -6.462 1.00 0.00 C ATOM 844 CD PRO A 58 -10.340 -2.212 -6.144 1.00 0.00 C ATOM 0 HA PRO A 58 -10.238 -1.965 -9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.817 -0.069 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.340 -1.715 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.566 -0.451 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.479 -1.923 -6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.728 -1.730 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.608 -3.197 -5.761 1.00 0.00 H new ATOM 852 N VAL A 59 -9.192 0.124 -9.962 1.00 0.00 N ATOM 853 CA VAL A 59 -8.389 1.274 -10.341 1.00 0.00 C ATOM 854 C VAL A 59 -9.300 2.363 -10.911 1.00 0.00 C ATOM 855 O VAL A 59 -8.881 3.507 -11.071 1.00 0.00 O ATOM 856 CB VAL A 59 -7.289 0.846 -11.315 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.310 1.993 -11.573 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.555 -0.396 -10.802 1.00 0.00 C ATOM 0 H VAL A 59 -9.638 -0.360 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.888 1.693 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.762 0.588 -12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.538 1.663 -12.268 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.846 2.840 -12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.847 2.295 -10.633 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.779 -0.679 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.100 -0.177 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.263 -1.217 -10.692 1.00 0.00 H new ATOM 868 N SER A 60 -10.531 1.966 -11.201 1.00 0.00 N ATOM 869 CA SER A 60 -11.506 2.895 -11.750 1.00 0.00 C ATOM 870 C SER A 60 -11.657 4.103 -10.823 1.00 0.00 C ATOM 871 O SER A 60 -11.199 5.198 -11.146 1.00 0.00 O ATOM 872 CB SER A 60 -12.860 2.213 -11.956 1.00 0.00 C ATOM 873 OG SER A 60 -13.218 2.146 -13.335 1.00 0.00 O ATOM 0 H SER A 60 -10.875 1.015 -11.067 1.00 0.00 H new ATOM 0 HA SER A 60 -11.147 3.233 -12.722 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.826 1.206 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.628 2.758 -11.408 1.00 0.00 H new ATOM 0 HG SER A 60 -14.087 1.703 -13.426 1.00 0.00 H new ATOM 879 N GLU A 61 -12.300 3.863 -9.690 1.00 0.00 N ATOM 880 CA GLU A 61 -12.516 4.919 -8.715 1.00 0.00 C ATOM 881 C GLU A 61 -12.563 4.334 -7.302 1.00 0.00 C ATOM 882 O GLU A 61 -13.557 4.487 -6.595 1.00 0.00 O ATOM 883 CB GLU A 61 -13.795 5.700 -9.026 1.00 0.00 C ATOM 884 CG GLU A 61 -13.506 7.196 -9.153 1.00 0.00 C ATOM 885 CD GLU A 61 -14.684 8.027 -8.641 1.00 0.00 C ATOM 886 OE1 GLU A 61 -15.741 7.982 -9.306 1.00 0.00 O ATOM 887 OE2 GLU A 61 -14.499 8.689 -7.596 1.00 0.00 O ATOM 0 H GLU A 61 -12.678 2.954 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.680 5.616 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.235 5.331 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.528 5.533 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.608 7.446 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.307 7.444 -10.195 1.00 0.00 H new ATOM 894 N PHE A 62 -11.473 3.676 -6.932 1.00 0.00 N ATOM 895 CA PHE A 62 -11.377 3.067 -5.616 1.00 0.00 C ATOM 896 C PHE A 62 -11.283 4.135 -4.524 1.00 0.00 C ATOM 897 O PHE A 62 -11.513 5.315 -4.783 1.00 0.00 O ATOM 898 CB PHE A 62 -10.096 2.229 -5.604 1.00 0.00 C ATOM 899 CG PHE A 62 -8.833 3.016 -5.959 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.152 3.681 -4.989 1.00 0.00 C ATOM 901 CD2 PHE A 62 -8.394 3.051 -7.245 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.979 4.411 -5.318 1.00 0.00 C ATOM 903 CE2 PHE A 62 -7.221 3.782 -7.575 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.539 4.446 -6.604 1.00 0.00 C ATOM 0 H PHE A 62 -10.649 3.552 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.262 2.461 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.971 1.789 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.207 1.404 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.503 3.654 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.936 2.523 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.437 4.938 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.871 3.810 -8.596 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.647 5.002 -6.854 1.00 0.00 H new ATOM 914 N ASP A 63 -10.945 3.682 -3.326 1.00 0.00 N ATOM 915 CA ASP A 63 -10.817 4.584 -2.194 1.00 0.00 C ATOM 916 C ASP A 63 -9.342 4.709 -1.809 1.00 0.00 C ATOM 917 O ASP A 63 -8.770 3.792 -1.221 1.00 0.00 O ATOM 918 CB ASP A 63 -11.580 4.052 -0.978 1.00 0.00 C ATOM 919 CG ASP A 63 -12.818 4.859 -0.587 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.506 5.331 -1.518 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.049 4.987 0.636 1.00 0.00 O ATOM 0 H ASP A 63 -10.756 2.702 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.229 5.550 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.883 3.025 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.900 4.022 -0.126 1.00 0.00 H new ATOM 926 N ARG A 64 -8.768 5.851 -2.157 1.00 0.00 N ATOM 927 CA ARG A 64 -7.369 6.107 -1.856 1.00 0.00 C ATOM 928 C ARG A 64 -7.133 6.050 -0.345 1.00 0.00 C ATOM 929 O ARG A 64 -6.018 5.790 0.102 1.00 0.00 O ATOM 930 CB ARG A 64 -6.935 7.477 -2.381 1.00 0.00 C ATOM 931 CG ARG A 64 -6.970 7.514 -3.911 1.00 0.00 C ATOM 932 CD ARG A 64 -5.556 7.589 -4.490 1.00 0.00 C ATOM 933 NE ARG A 64 -4.673 6.623 -3.800 1.00 0.00 N ATOM 934 CZ ARG A 64 -3.493 6.209 -4.279 1.00 0.00 C ATOM 935 NH1 ARG A 64 -3.044 6.676 -5.451 1.00 0.00 N ATOM 936 NH2 ARG A 64 -2.758 5.330 -3.583 1.00 0.00 N ATOM 0 H ARG A 64 -9.245 6.609 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.777 5.337 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.592 8.249 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.928 7.702 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.475 6.625 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.549 8.375 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.580 7.373 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.162 8.599 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.983 6.249 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.601 7.348 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.145 6.360 -5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.098 4.976 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.859 5.015 -3.948 1.00 0.00 H new ATOM 950 N LYS A 65 -8.201 6.298 0.399 1.00 0.00 N ATOM 951 CA LYS A 65 -8.124 6.278 1.850 1.00 0.00 C ATOM 952 C LYS A 65 -7.589 4.921 2.308 1.00 0.00 C ATOM 953 O LYS A 65 -6.883 4.835 3.313 1.00 0.00 O ATOM 954 CB LYS A 65 -9.476 6.647 2.463 1.00 0.00 C ATOM 955 CG LYS A 65 -10.529 5.583 2.147 1.00 0.00 C ATOM 956 CD LYS A 65 -11.074 4.951 3.430 1.00 0.00 C ATOM 957 CE LYS A 65 -10.159 3.826 3.917 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.819 3.053 4.993 1.00 0.00 N ATOM 0 H LYS A 65 -9.125 6.514 0.024 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.423 7.033 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.373 6.753 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.803 7.613 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.347 6.032 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.092 4.811 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.165 5.712 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.075 4.559 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.910 3.166 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.221 4.244 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.247 2.215 5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.912 3.648 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.763 2.753 4.676 1.00 0.00 H new ATOM 972 N GLU A 66 -7.946 3.893 1.552 1.00 0.00 N ATOM 973 CA GLU A 66 -7.511 2.544 1.869 1.00 0.00 C ATOM 974 C GLU A 66 -6.074 2.323 1.390 1.00 0.00 C ATOM 975 O GLU A 66 -5.347 1.504 1.953 1.00 0.00 O ATOM 976 CB GLU A 66 -8.456 1.506 1.261 1.00 0.00 C ATOM 977 CG GLU A 66 -7.926 0.087 1.478 1.00 0.00 C ATOM 978 CD GLU A 66 -9.071 -0.926 1.521 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.953 -0.823 0.640 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.040 -1.780 2.432 1.00 0.00 O ATOM 0 H GLU A 66 -8.532 3.968 0.720 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.536 2.421 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.444 1.601 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.572 1.695 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.235 -0.174 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.363 0.044 2.410 1.00 0.00 H new ATOM 987 N TRP A 67 -5.707 3.068 0.358 1.00 0.00 N ATOM 988 CA TRP A 67 -4.371 2.964 -0.202 1.00 0.00 C ATOM 989 C TRP A 67 -3.573 4.190 0.245 1.00 0.00 C ATOM 990 O TRP A 67 -2.554 4.526 -0.355 1.00 0.00 O ATOM 991 CB TRP A 67 -4.424 2.808 -1.723 1.00 0.00 C ATOM 992 CG TRP A 67 -5.553 1.900 -2.217 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.784 2.254 -2.608 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.502 0.465 -2.356 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.529 1.155 -2.988 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.724 0.033 -2.830 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.459 -0.439 -2.091 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.018 -1.313 -3.081 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.768 -1.781 -2.347 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.994 -2.231 -2.823 1.00 0.00 C ATOM 0 H TRP A 67 -6.312 3.746 -0.105 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.869 2.069 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.540 3.793 -2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.471 2.408 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.148 3.271 -2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.492 1.165 -3.323 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.495 -0.124 -1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.982 -1.625 -3.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.000 -2.517 -2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.156 -3.285 -2.993 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.069 4.827 1.297 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.416 6.009 1.832 1.00 0.00 C ATOM 1013 C ASP A 68 -2.375 5.586 2.870 1.00 0.00 C ATOM 1014 O ASP A 68 -1.347 6.244 3.029 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.423 6.931 2.521 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.857 7.758 3.677 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.870 8.483 3.427 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.424 7.646 4.786 1.00 0.00 O ATOM 0 H ASP A 68 -4.915 4.546 1.792 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.950 6.541 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.839 7.611 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.248 6.326 2.897 1.00 0.00 H new ATOM 1023 N THR A 69 -2.675 4.489 3.550 1.00 0.00 N ATOM 1024 CA THR A 69 -1.779 3.971 4.569 1.00 0.00 C ATOM 1025 C THR A 69 -1.387 2.527 4.249 1.00 0.00 C ATOM 1026 O THR A 69 -1.989 1.893 3.384 1.00 0.00 O ATOM 1027 CB THR A 69 -2.466 4.127 5.927 1.00 0.00 C ATOM 1028 OG1 THR A 69 -3.265 2.953 6.049 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.481 5.271 5.942 1.00 0.00 C ATOM 0 H THR A 69 -3.527 3.945 3.415 1.00 0.00 H new ATOM 0 HA THR A 69 -0.844 4.531 4.596 1.00 0.00 H new ATOM 0 HB THR A 69 -1.713 4.300 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.745 2.971 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.939 5.338 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.975 6.209 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.253 5.083 5.196 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.351 2.036 4.982 1.00 0.00 N ATOM 1038 CA PRO A 70 0.127 0.679 4.785 1.00 0.00 C ATOM 1039 C PRO A 70 -0.835 -0.338 5.401 1.00 0.00 C ATOM 1040 O PRO A 70 -1.083 -1.394 4.819 1.00 0.00 O ATOM 1041 CB PRO A 70 1.507 0.653 5.424 1.00 0.00 C ATOM 1042 CG PRO A 70 1.557 1.851 6.357 1.00 0.00 C ATOM 1043 CD PRO A 70 0.386 2.758 6.015 1.00 0.00 C ATOM 0 HA PRO A 70 0.183 0.402 3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.666 -0.276 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.289 0.715 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.499 1.528 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.500 2.385 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.238 2.946 6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.728 3.728 5.653 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.353 0.016 6.568 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.284 -0.853 7.268 1.00 0.00 C ATOM 1053 C ASN A 71 -3.537 -1.046 6.412 1.00 0.00 C ATOM 1054 O ASN A 71 -3.858 -2.165 6.018 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.712 -0.240 8.602 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.069 -0.979 9.778 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -1.595 -2.096 9.656 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.080 -0.296 10.918 1.00 0.00 N ATOM 0 H ASN A 71 -1.146 0.893 7.046 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.784 -1.804 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.428 0.812 8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.797 -0.280 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.675 -0.704 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.494 0.636 10.950 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.212 0.064 6.150 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.423 0.031 5.348 1.00 0.00 C ATOM 1067 C LYS A 72 -5.204 -0.875 4.136 1.00 0.00 C ATOM 1068 O LYS A 72 -6.133 -1.537 3.675 1.00 0.00 O ATOM 1069 CB LYS A 72 -5.863 1.451 4.983 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.000 1.924 5.890 1.00 0.00 C ATOM 1071 CD LYS A 72 -6.783 3.375 6.328 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.095 4.004 6.802 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.362 3.647 8.212 1.00 0.00 N ATOM 0 H LYS A 72 -3.943 0.991 6.479 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.246 -0.396 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.016 2.132 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.188 1.479 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.950 1.837 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.062 1.281 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.047 3.410 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.377 3.953 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.043 5.088 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.917 3.663 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.256 4.082 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.432 2.613 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.586 3.994 8.811 1.00 0.00 H new ATOM 1087 N ILE A 73 -3.969 -0.878 3.655 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.615 -1.693 2.506 1.00 0.00 C ATOM 1089 C ILE A 73 -3.428 -3.144 2.953 1.00 0.00 C ATOM 1090 O ILE A 73 -4.011 -4.057 2.371 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.396 -1.108 1.789 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.792 0.092 0.926 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.670 -2.182 0.977 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.715 0.396 -0.117 1.00 0.00 C ATOM 0 H ILE A 73 -3.201 -0.328 4.041 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.421 -1.687 1.772 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.697 -0.747 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.740 -0.111 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.946 0.965 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.808 -1.740 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.335 -2.977 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.349 -2.595 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.021 1.253 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.775 0.622 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.580 -0.471 -0.764 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.612 -3.311 3.984 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.341 -4.636 4.516 1.00 0.00 C ATOM 1108 C ILE A 74 -3.664 -5.372 4.739 1.00 0.00 C ATOM 1109 O ILE A 74 -3.702 -6.602 4.734 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.472 -4.542 5.771 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.012 -4.677 5.422 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.909 -5.564 6.821 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.891 -4.065 6.515 1.00 0.00 C ATOM 0 H ILE A 74 -2.130 -2.551 4.465 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.765 -5.223 3.800 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.612 -3.553 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.265 -5.730 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.212 -4.183 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.274 -5.474 7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.946 -5.378 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.819 -6.569 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.940 -4.175 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.653 -3.007 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.707 -4.577 7.459 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.716 -4.589 4.929 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.037 -5.152 5.153 1.00 0.00 C ATOM 1127 C ALA A 75 -6.717 -5.397 3.805 1.00 0.00 C ATOM 1128 O ALA A 75 -7.474 -6.354 3.652 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.845 -4.214 6.051 1.00 0.00 C ATOM 0 H ALA A 75 -4.680 -3.570 4.932 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.964 -6.112 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.836 -4.636 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.334 -4.095 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.942 -3.242 5.568 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.421 -4.516 2.860 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.995 -4.626 1.529 1.00 0.00 C ATOM 1137 C LYS A 76 -6.345 -5.799 0.794 1.00 0.00 C ATOM 1138 O LYS A 76 -6.985 -6.449 -0.033 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.881 -3.294 0.786 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.720 -3.306 -0.494 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.181 -3.643 -0.188 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.097 -3.195 -1.329 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.293 -4.064 -1.405 1.00 0.00 N ATOM 0 H LYS A 76 -5.792 -3.724 2.989 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.062 -4.840 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.212 -2.483 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.837 -3.099 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.662 -2.332 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.313 -4.037 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.286 -4.717 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.484 -3.156 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.401 -2.160 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.554 -3.229 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.904 -3.746 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.998 -5.047 -1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.819 -4.010 -0.509 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.084 -6.035 1.121 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.340 -7.119 0.501 1.00 0.00 C ATOM 1159 C VAL A 77 -4.893 -8.458 0.995 1.00 0.00 C ATOM 1160 O VAL A 77 -4.953 -9.426 0.239 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.844 -6.952 0.775 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.060 -8.179 0.306 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.307 -5.676 0.123 1.00 0.00 C ATOM 0 H VAL A 77 -4.558 -5.494 1.807 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.462 -7.096 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.709 -6.861 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.000 -8.034 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.416 -9.062 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.205 -8.316 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.242 -5.581 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.462 -5.725 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.835 -4.812 0.526 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.281 -8.470 2.261 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.825 -9.674 2.866 1.00 0.00 C ATOM 1175 C GLU A 78 -7.318 -9.797 2.551 1.00 0.00 C ATOM 1176 O GLU A 78 -7.845 -10.904 2.447 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.581 -9.690 4.375 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.098 -9.482 4.693 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.439 -10.795 5.118 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.385 -11.706 4.263 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.003 -10.859 6.288 1.00 0.00 O ATOM 0 H GLU A 78 -5.230 -7.665 2.885 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.310 -10.535 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.172 -8.907 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.916 -10.640 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.587 -9.082 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.993 -8.744 5.488 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.957 -8.646 2.408 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.378 -8.611 2.108 1.00 0.00 C ATOM 1190 C GLN A 79 -9.601 -8.616 0.594 1.00 0.00 C ATOM 1191 O GLN A 79 -10.666 -8.227 0.119 1.00 0.00 O ATOM 1192 CB GLN A 79 -10.045 -7.394 2.755 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.519 -7.675 3.059 1.00 0.00 C ATOM 1194 CD GLN A 79 -12.249 -6.393 3.462 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.467 -5.495 2.664 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -12.615 -6.356 4.740 1.00 0.00 N ATOM 0 H GLN A 79 -7.517 -7.730 2.494 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.840 -9.505 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.523 -7.135 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.964 -6.534 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.998 -8.110 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.595 -8.409 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.402 -7.142 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.109 -5.542 5.106 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.579 -9.064 -0.120 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.650 -9.126 -1.570 1.00 0.00 C ATOM 1207 C ALA A 80 -8.498 -10.580 -2.022 1.00 0.00 C ATOM 1208 O ALA A 80 -9.179 -11.021 -2.946 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.580 -8.213 -2.174 1.00 0.00 C ATOM 0 H ALA A 80 -7.697 -9.387 0.278 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.618 -8.770 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.634 -8.260 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.750 -7.187 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.594 -8.541 -1.845 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.601 -11.285 -1.348 1.00 0.00 N ATOM 1216 CA GLN A 81 -7.351 -12.680 -1.668 1.00 0.00 C ATOM 1217 C GLN A 81 -8.666 -13.461 -1.699 1.00 0.00 C ATOM 1218 O GLN A 81 -9.296 -13.664 -0.662 1.00 0.00 O ATOM 1219 CB GLN A 81 -6.367 -13.302 -0.676 1.00 0.00 C ATOM 1220 CG GLN A 81 -5.081 -12.478 -0.589 1.00 0.00 C ATOM 1221 CD GLN A 81 -4.642 -12.298 0.866 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -5.158 -12.923 1.778 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.663 -11.412 1.030 1.00 0.00 N ATOM 0 H GLN A 81 -7.038 -10.916 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.898 -12.730 -2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.830 -13.366 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.130 -14.321 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.290 -12.972 -1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.238 -11.502 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.276 -10.924 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.299 -11.221 1.964 1.00 0.00 H new