USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 757 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 5 SER OG : rot 96:sc= 1.26 USER MOD Set 1.2: A 63 MET CE :methyl -161:sc= -0.689 (180deg=-2.16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.34! (180deg=-1.52!) USER MOD Single : A 4 GLN :FLIP amide:sc= -2.34! C(o=-4.4!,f=-2.3!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.0398 X(o=0.04,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0.388 (180deg=0.251) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.16) USER MOD Single : A 18 THR OG1 : rot 74:sc= -0.206 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.4!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 30 ASN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.255 F(o=-2.4!,f=-0.26) USER MOD Single : A 51 HIS :FLIP no HD1:sc=-0.00738 F(o=-0.98,f=-0.0074) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 58 CYS SG : rot 80:sc= 0.0413 USER MOD Single : A 61 SER OG : rot 63:sc= 1.02 USER MOD Single : A 73 THR OG1 : rot 70:sc= 0.866 USER MOD Single : A 79 SER OG : rot 78:sc= 0.477 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot -47:sc= -1.68! USER MOD Single : A 86 MET CE :methyl 140:sc= -0.235 (180deg=-1.01) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.0417 X(o=0.042,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.841 12.887 -4.379 1.00 0.00 N ATOM 2 CA MET A 1 -12.189 13.845 -5.446 1.00 0.00 C ATOM 3 C MET A 1 -11.067 14.856 -5.595 1.00 0.00 C ATOM 4 O MET A 1 -10.078 14.790 -4.863 1.00 0.00 O ATOM 5 CB MET A 1 -13.499 14.564 -5.108 1.00 0.00 C ATOM 6 CG MET A 1 -14.688 13.631 -4.968 1.00 0.00 C ATOM 7 SD MET A 1 -16.195 14.492 -4.480 1.00 0.00 S ATOM 8 CE MET A 1 -17.347 13.123 -4.383 1.00 0.00 C ATOM 0 H1 MET A 1 -12.615 12.202 -4.262 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.968 12.383 -4.636 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.694 13.400 -3.486 1.00 0.00 H new ATOM 0 HA MET A 1 -12.322 13.306 -6.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.370 15.117 -4.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.713 15.296 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.857 13.120 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.457 12.864 -4.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.329 13.494 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.417 12.637 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.996 12.404 -3.643 1.00 0.00 H new ATOM 20 N GLU A 2 -11.215 15.772 -6.543 1.00 0.00 N ATOM 21 CA GLU A 2 -10.245 16.842 -6.735 1.00 0.00 C ATOM 22 C GLU A 2 -10.170 17.707 -5.483 1.00 0.00 C ATOM 23 O GLU A 2 -9.087 18.042 -4.999 1.00 0.00 O ATOM 24 CB GLU A 2 -10.638 17.692 -7.943 1.00 0.00 C ATOM 25 CG GLU A 2 -9.732 18.887 -8.176 1.00 0.00 C ATOM 26 CD GLU A 2 -10.153 19.699 -9.379 1.00 0.00 C ATOM 27 OE1 GLU A 2 -11.105 20.498 -9.263 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.534 19.542 -10.453 1.00 0.00 O ATOM 0 H GLU A 2 -12.001 15.795 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.264 16.405 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.631 17.064 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.661 18.045 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.738 19.523 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.707 18.542 -8.314 1.00 0.00 H new ATOM 35 N VAL A 3 -11.337 18.048 -4.959 1.00 0.00 N ATOM 36 CA VAL A 3 -11.429 18.826 -3.738 1.00 0.00 C ATOM 37 C VAL A 3 -11.252 17.926 -2.523 1.00 0.00 C ATOM 38 O VAL A 3 -12.086 17.060 -2.250 1.00 0.00 O ATOM 39 CB VAL A 3 -12.784 19.554 -3.638 1.00 0.00 C ATOM 40 CG1 VAL A 3 -12.839 20.429 -2.393 1.00 0.00 C ATOM 41 CG2 VAL A 3 -13.039 20.377 -4.890 1.00 0.00 C ATOM 0 H VAL A 3 -12.238 17.795 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.634 19.571 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.571 18.804 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.805 20.932 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.708 19.809 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.044 21.173 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.000 20.884 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.247 21.117 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.053 19.721 -5.760 1.00 0.00 H new ATOM 51 N GLN A 4 -10.155 18.114 -1.814 1.00 0.00 N ATOM 52 CA GLN A 4 -9.907 17.374 -0.590 1.00 0.00 C ATOM 53 C GLN A 4 -9.943 18.309 0.605 1.00 0.00 C ATOM 54 O GLN A 4 -9.585 19.485 0.497 1.00 0.00 O ATOM 55 CB GLN A 4 -8.561 16.653 -0.646 1.00 0.00 C ATOM 56 CG GLN A 4 -8.516 15.534 -1.670 1.00 0.00 C ATOM 57 CD GLN A 4 -7.232 14.733 -1.601 1.00 0.00 C ATOM 58 OE1 GLN A 4 -7.323 13.451 -1.914 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 -6.169 15.256 -1.264 1.00 0.00 N flip ATOM 0 H GLN A 4 -9.419 18.774 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.692 16.626 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.779 17.377 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.336 16.243 0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.364 14.868 -1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.623 15.956 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.140 16.248 -1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.317 14.697 -1.219 1.00 0.00 H new ATOM 68 N SER A 5 -10.386 17.787 1.733 1.00 0.00 N ATOM 69 CA SER A 5 -10.441 18.555 2.956 1.00 0.00 C ATOM 70 C SER A 5 -9.048 18.657 3.561 1.00 0.00 C ATOM 71 O SER A 5 -8.230 17.750 3.401 1.00 0.00 O ATOM 72 CB SER A 5 -11.418 17.891 3.930 1.00 0.00 C ATOM 73 OG SER A 5 -11.217 16.484 3.973 1.00 0.00 O ATOM 0 H SER A 5 -10.715 16.826 1.825 1.00 0.00 H new ATOM 0 HA SER A 5 -10.795 19.564 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.286 18.312 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.443 18.107 3.627 1.00 0.00 H new ATOM 0 HG SER A 5 -10.634 16.260 4.728 1.00 0.00 H new ATOM 79 N MET A 6 -8.766 19.768 4.226 1.00 0.00 N ATOM 80 CA MET A 6 -7.479 19.947 4.882 1.00 0.00 C ATOM 81 C MET A 6 -7.347 18.950 6.029 1.00 0.00 C ATOM 82 O MET A 6 -6.244 18.563 6.416 1.00 0.00 O ATOM 83 CB MET A 6 -7.329 21.381 5.394 1.00 0.00 C ATOM 84 CG MET A 6 -5.926 21.705 5.878 1.00 0.00 C ATOM 85 SD MET A 6 -5.734 23.430 6.368 1.00 0.00 S ATOM 86 CE MET A 6 -3.981 23.469 6.737 1.00 0.00 C ATOM 0 H MET A 6 -9.407 20.555 4.325 1.00 0.00 H new ATOM 0 HA MET A 6 -6.684 19.764 4.159 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.599 22.074 4.597 1.00 0.00 H new ATOM 0 HB3 MET A 6 -8.033 21.543 6.210 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.682 21.063 6.724 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.212 21.476 5.087 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.699 24.472 7.057 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.761 22.759 7.534 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.415 23.200 5.845 1.00 0.00 H new ATOM 96 N LEU A 7 -8.487 18.542 6.565 1.00 0.00 N ATOM 97 CA LEU A 7 -8.533 17.493 7.565 1.00 0.00 C ATOM 98 C LEU A 7 -8.657 16.135 6.881 1.00 0.00 C ATOM 99 O LEU A 7 -9.613 15.890 6.142 1.00 0.00 O ATOM 100 CB LEU A 7 -9.714 17.712 8.516 1.00 0.00 C ATOM 101 CG LEU A 7 -9.838 16.686 9.644 1.00 0.00 C ATOM 102 CD1 LEU A 7 -8.616 16.740 10.549 1.00 0.00 C ATOM 103 CD2 LEU A 7 -11.114 16.922 10.439 1.00 0.00 C ATOM 0 H LEU A 7 -9.399 18.927 6.320 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.611 17.520 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.626 18.705 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.636 17.702 7.934 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.891 15.690 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.721 16.004 11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.722 16.519 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.529 17.736 10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.187 16.184 11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.094 17.923 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.976 16.829 9.779 1.00 0.00 H new ATOM 115 N LEU A 8 -7.683 15.266 7.114 1.00 0.00 N ATOM 116 CA LEU A 8 -7.700 13.929 6.534 1.00 0.00 C ATOM 117 C LEU A 8 -8.616 13.015 7.338 1.00 0.00 C ATOM 118 O LEU A 8 -8.698 13.124 8.563 1.00 0.00 O ATOM 119 CB LEU A 8 -6.285 13.347 6.478 1.00 0.00 C ATOM 120 CG LEU A 8 -5.296 14.124 5.602 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.921 13.478 5.649 1.00 0.00 C ATOM 122 CD2 LEU A 8 -5.798 14.207 4.165 1.00 0.00 C ATOM 0 H LEU A 8 -6.871 15.462 7.700 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.083 14.001 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.888 13.299 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.345 12.323 6.111 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.215 15.138 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.232 14.043 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.556 13.474 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.988 12.453 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.081 14.763 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.911 13.201 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.761 14.717 4.145 1.00 0.00 H new ATOM 134 N ASN A 9 -9.298 12.115 6.647 1.00 0.00 N ATOM 135 CA ASN A 9 -10.286 11.255 7.283 1.00 0.00 C ATOM 136 C ASN A 9 -9.689 9.894 7.599 1.00 0.00 C ATOM 137 O ASN A 9 -8.904 9.352 6.818 1.00 0.00 O ATOM 138 CB ASN A 9 -11.514 11.082 6.382 1.00 0.00 C ATOM 139 CG ASN A 9 -12.111 12.407 5.945 1.00 0.00 C ATOM 140 OD1 ASN A 9 -12.927 12.999 6.653 1.00 0.00 O ATOM 141 ND2 ASN A 9 -11.722 12.870 4.766 1.00 0.00 N ATOM 0 H ASN A 9 -9.186 11.960 5.645 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.594 11.731 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.234 10.506 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.271 10.505 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.101 13.749 4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.044 12.348 4.212 1.00 0.00 H new ATOM 148 N ASP A 10 -10.056 9.350 8.749 1.00 0.00 N ATOM 149 CA ASP A 10 -9.591 8.033 9.153 1.00 0.00 C ATOM 150 C ASP A 10 -10.433 6.956 8.492 1.00 0.00 C ATOM 151 O ASP A 10 -11.510 6.604 8.973 1.00 0.00 O ATOM 152 CB ASP A 10 -9.638 7.870 10.676 1.00 0.00 C ATOM 153 CG ASP A 10 -8.603 8.712 11.390 1.00 0.00 C ATOM 154 OD1 ASP A 10 -8.911 9.872 11.745 1.00 0.00 O ATOM 155 OD2 ASP A 10 -7.480 8.216 11.612 1.00 0.00 O ATOM 0 H ASP A 10 -10.676 9.802 9.421 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.555 7.930 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.631 8.142 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.483 6.821 10.929 1.00 0.00 H new ATOM 160 N VAL A 11 -9.952 6.450 7.374 1.00 0.00 N ATOM 161 CA VAL A 11 -10.677 5.438 6.633 1.00 0.00 C ATOM 162 C VAL A 11 -10.142 4.056 6.962 1.00 0.00 C ATOM 163 O VAL A 11 -9.007 3.717 6.612 1.00 0.00 O ATOM 164 CB VAL A 11 -10.595 5.681 5.114 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.387 4.629 4.347 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.094 7.076 4.777 1.00 0.00 C ATOM 0 H VAL A 11 -9.061 6.723 6.959 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.724 5.501 6.931 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.551 5.600 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.312 4.825 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.983 3.640 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.433 4.669 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.031 7.235 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.130 7.179 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.479 7.816 5.290 1.00 0.00 H new ATOM 176 N LYS A 12 -10.950 3.276 7.660 1.00 0.00 N ATOM 177 CA LYS A 12 -10.589 1.915 8.008 1.00 0.00 C ATOM 178 C LYS A 12 -10.880 0.981 6.840 1.00 0.00 C ATOM 179 O LYS A 12 -11.848 1.181 6.105 1.00 0.00 O ATOM 180 CB LYS A 12 -11.366 1.463 9.249 1.00 0.00 C ATOM 181 CG LYS A 12 -11.108 0.018 9.643 1.00 0.00 C ATOM 182 CD LYS A 12 -12.002 -0.418 10.789 1.00 0.00 C ATOM 183 CE LYS A 12 -11.836 -1.899 11.091 1.00 0.00 C ATOM 184 NZ LYS A 12 -12.183 -2.751 9.921 1.00 0.00 N ATOM 0 H LYS A 12 -11.867 3.567 7.998 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.522 1.881 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.104 2.110 10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.432 1.595 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.277 -0.630 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.063 -0.100 9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.765 0.165 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.043 -0.211 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.806 -2.095 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.469 -2.169 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.187 -3.750 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.125 -2.488 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.479 -2.610 9.168 1.00 0.00 H new ATOM 198 N TRP A 13 -10.046 -0.031 6.670 1.00 0.00 N ATOM 199 CA TRP A 13 -10.242 -1.003 5.612 1.00 0.00 C ATOM 200 C TRP A 13 -11.269 -2.042 6.025 1.00 0.00 C ATOM 201 O TRP A 13 -11.351 -2.416 7.198 1.00 0.00 O ATOM 202 CB TRP A 13 -8.927 -1.694 5.255 1.00 0.00 C ATOM 203 CG TRP A 13 -8.392 -1.278 3.922 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.077 -1.258 2.745 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.065 -0.838 3.624 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.264 -0.821 1.733 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.021 -0.560 2.244 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.911 -0.650 4.386 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.868 -0.100 1.615 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.767 -0.196 3.761 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.752 0.074 2.385 1.00 0.00 C ATOM 0 H TRP A 13 -9.226 -0.200 7.253 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.607 -0.470 4.734 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.186 -1.472 6.023 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -9.077 -2.774 5.259 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.111 -1.545 2.627 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.540 -0.708 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.913 -0.856 5.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.855 0.112 0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.869 -0.046 4.341 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.841 0.426 1.925 1.00 0.00 H new ATOM 222 N GLU A 14 -12.057 -2.492 5.055 1.00 0.00 N ATOM 223 CA GLU A 14 -13.019 -3.564 5.279 1.00 0.00 C ATOM 224 C GLU A 14 -12.272 -4.819 5.702 1.00 0.00 C ATOM 225 O GLU A 14 -12.600 -5.465 6.696 1.00 0.00 O ATOM 226 CB GLU A 14 -13.796 -3.851 3.995 1.00 0.00 C ATOM 227 CG GLU A 14 -14.413 -2.621 3.355 1.00 0.00 C ATOM 228 CD GLU A 14 -15.013 -2.927 2.000 1.00 0.00 C ATOM 229 OE1 GLU A 14 -14.278 -2.862 0.993 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.214 -3.250 1.939 1.00 0.00 O ATOM 0 H GLU A 14 -12.048 -2.129 4.102 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.719 -3.262 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.127 -4.324 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.587 -4.568 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.185 -2.220 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.652 -1.848 3.248 1.00 0.00 H new ATOM 237 N LYS A 15 -11.259 -5.139 4.918 1.00 0.00 N ATOM 238 CA LYS A 15 -10.394 -6.270 5.181 1.00 0.00 C ATOM 239 C LYS A 15 -8.944 -5.803 5.171 1.00 0.00 C ATOM 240 O LYS A 15 -8.382 -5.522 4.110 1.00 0.00 O ATOM 241 CB LYS A 15 -10.635 -7.366 4.139 1.00 0.00 C ATOM 242 CG LYS A 15 -11.928 -8.137 4.374 1.00 0.00 C ATOM 243 CD LYS A 15 -12.576 -8.588 3.074 1.00 0.00 C ATOM 244 CE LYS A 15 -13.238 -7.425 2.350 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.018 -7.871 1.166 1.00 0.00 N ATOM 0 H LYS A 15 -11.013 -4.617 4.077 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.617 -6.690 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.662 -6.916 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.796 -8.062 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.721 -9.008 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.627 -7.510 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.823 -9.039 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.319 -9.358 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.897 -6.898 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.474 -6.715 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.478 -7.050 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.380 -8.321 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.742 -8.555 1.465 1.00 0.00 H new ATOM 259 N PRO A 16 -8.349 -5.668 6.369 1.00 0.00 N ATOM 260 CA PRO A 16 -6.980 -5.159 6.550 1.00 0.00 C ATOM 261 C PRO A 16 -5.954 -5.877 5.673 1.00 0.00 C ATOM 262 O PRO A 16 -6.093 -7.066 5.388 1.00 0.00 O ATOM 263 CB PRO A 16 -6.703 -5.423 8.030 1.00 0.00 C ATOM 264 CG PRO A 16 -8.043 -5.415 8.673 1.00 0.00 C ATOM 265 CD PRO A 16 -8.982 -6.004 7.661 1.00 0.00 C ATOM 0 HA PRO A 16 -6.897 -4.111 6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.201 -6.379 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.056 -4.656 8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.040 -6.001 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.342 -4.402 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.086 -7.081 7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.981 -5.575 7.742 1.00 0.00 H new ATOM 273 N VAL A 17 -4.925 -5.146 5.256 1.00 0.00 N ATOM 274 CA VAL A 17 -3.942 -5.665 4.306 1.00 0.00 C ATOM 275 C VAL A 17 -2.608 -5.963 4.988 1.00 0.00 C ATOM 276 O VAL A 17 -2.031 -5.099 5.649 1.00 0.00 O ATOM 277 CB VAL A 17 -3.702 -4.667 3.151 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.785 -5.268 2.093 1.00 0.00 C ATOM 279 CG2 VAL A 17 -5.021 -4.227 2.534 1.00 0.00 C ATOM 0 H VAL A 17 -4.748 -4.189 5.561 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.352 -6.592 3.905 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.209 -3.787 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.632 -4.546 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.825 -5.519 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.241 -6.170 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.827 -3.525 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.548 -5.097 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.635 -3.743 3.294 1.00 0.00 H new ATOM 289 N THR A 18 -2.132 -7.189 4.824 1.00 0.00 N ATOM 290 CA THR A 18 -0.846 -7.604 5.367 1.00 0.00 C ATOM 291 C THR A 18 0.293 -7.309 4.381 1.00 0.00 C ATOM 292 O THR A 18 0.351 -7.879 3.291 1.00 0.00 O ATOM 293 CB THR A 18 -0.866 -9.108 5.696 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.044 -9.421 6.454 1.00 0.00 O ATOM 295 CG2 THR A 18 0.369 -9.513 6.485 1.00 0.00 C ATOM 0 H THR A 18 -2.624 -7.922 4.313 1.00 0.00 H new ATOM 0 HA THR A 18 -0.671 -7.035 6.280 1.00 0.00 H new ATOM 0 HB THR A 18 -0.871 -9.662 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.827 -9.401 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.328 -10.580 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.262 -9.297 5.899 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.404 -8.953 7.419 1.00 0.00 H new ATOM 303 N ILE A 19 1.188 -6.408 4.774 1.00 0.00 N ATOM 304 CA ILE A 19 2.342 -6.044 3.956 1.00 0.00 C ATOM 305 C ILE A 19 3.640 -6.351 4.699 1.00 0.00 C ATOM 306 O ILE A 19 3.758 -6.077 5.892 1.00 0.00 O ATOM 307 CB ILE A 19 2.306 -4.539 3.581 1.00 0.00 C ATOM 308 CG1 ILE A 19 1.269 -4.280 2.486 1.00 0.00 C ATOM 309 CG2 ILE A 19 3.678 -4.040 3.141 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.642 -4.883 1.152 1.00 0.00 C ATOM 0 H ILE A 19 1.135 -5.911 5.663 1.00 0.00 H new ATOM 0 HA ILE A 19 2.300 -6.635 3.041 1.00 0.00 H new ATOM 0 HB ILE A 19 2.019 -3.984 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.308 -4.684 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.138 -3.204 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.616 -2.982 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.392 -4.176 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.008 -4.605 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.863 -4.661 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.588 -4.460 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.744 -5.963 1.257 1.00 0.00 H new ATOM 322 N SER A 20 4.607 -6.916 3.993 1.00 0.00 N ATOM 323 CA SER A 20 5.893 -7.240 4.587 1.00 0.00 C ATOM 324 C SER A 20 6.901 -6.132 4.298 1.00 0.00 C ATOM 325 O SER A 20 7.234 -5.868 3.141 1.00 0.00 O ATOM 326 CB SER A 20 6.408 -8.576 4.045 1.00 0.00 C ATOM 327 OG SER A 20 7.564 -9.010 4.746 1.00 0.00 O ATOM 0 H SER A 20 4.525 -7.160 3.006 1.00 0.00 H new ATOM 0 HA SER A 20 5.766 -7.327 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.625 -9.330 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.640 -8.475 2.985 1.00 0.00 H new ATOM 0 HG SER A 20 7.868 -9.866 4.378 1.00 0.00 H new ATOM 333 N LEU A 21 7.371 -5.479 5.350 1.00 0.00 N ATOM 334 CA LEU A 21 8.385 -4.440 5.211 1.00 0.00 C ATOM 335 C LEU A 21 9.726 -5.065 4.839 1.00 0.00 C ATOM 336 O LEU A 21 9.908 -6.278 4.979 1.00 0.00 O ATOM 337 CB LEU A 21 8.536 -3.633 6.509 1.00 0.00 C ATOM 338 CG LEU A 21 7.371 -2.699 6.872 1.00 0.00 C ATOM 339 CD1 LEU A 21 6.117 -3.483 7.232 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.769 -1.786 8.022 1.00 0.00 C ATOM 0 H LEU A 21 7.068 -5.648 6.309 1.00 0.00 H new ATOM 0 HA LEU A 21 8.065 -3.762 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.682 -4.333 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.444 -3.034 6.435 1.00 0.00 H new ATOM 0 HG LEU A 21 7.144 -2.093 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.314 -2.790 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.815 -4.096 6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.323 -4.125 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.935 -1.129 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.027 -2.389 8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.630 -1.185 7.728 1.00 0.00 H new ATOM 352 N GLN A 22 10.669 -4.237 4.394 1.00 0.00 N ATOM 353 CA GLN A 22 11.980 -4.722 3.960 1.00 0.00 C ATOM 354 C GLN A 22 12.724 -5.449 5.082 1.00 0.00 C ATOM 355 O GLN A 22 13.594 -6.282 4.821 1.00 0.00 O ATOM 356 CB GLN A 22 12.836 -3.570 3.433 1.00 0.00 C ATOM 357 CG GLN A 22 12.375 -3.036 2.084 1.00 0.00 C ATOM 358 CD GLN A 22 13.313 -1.989 1.513 1.00 0.00 C ATOM 359 OE1 GLN A 22 13.479 -1.885 0.297 1.00 0.00 O ATOM 360 NE2 GLN A 22 13.913 -1.188 2.379 1.00 0.00 N ATOM 0 H GLN A 22 10.551 -3.226 4.324 1.00 0.00 H new ATOM 0 HA GLN A 22 11.804 -5.437 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.824 -2.757 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.869 -3.906 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.291 -3.864 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.379 -2.606 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.751 -1.305 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.538 -0.454 2.046 1.00 0.00 H new ATOM 369 N ASN A 23 12.368 -5.146 6.326 1.00 0.00 N ATOM 370 CA ASN A 23 12.992 -5.791 7.480 1.00 0.00 C ATOM 371 C ASN A 23 12.520 -7.234 7.622 1.00 0.00 C ATOM 372 O ASN A 23 13.125 -8.025 8.345 1.00 0.00 O ATOM 373 CB ASN A 23 12.677 -5.030 8.771 1.00 0.00 C ATOM 374 CG ASN A 23 13.229 -3.618 8.779 1.00 0.00 C ATOM 375 OD1 ASN A 23 14.244 -3.327 8.147 1.00 0.00 O ATOM 376 ND2 ASN A 23 12.566 -2.733 9.503 1.00 0.00 N ATOM 0 H ASN A 23 11.652 -4.459 6.563 1.00 0.00 H new ATOM 0 HA ASN A 23 14.069 -5.782 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.596 -4.992 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.087 -5.579 9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.892 -1.768 9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.729 -3.015 10.012 1.00 0.00 H new ATOM 383 N GLY A 24 11.448 -7.579 6.923 1.00 0.00 N ATOM 384 CA GLY A 24 10.881 -8.906 7.045 1.00 0.00 C ATOM 385 C GLY A 24 9.857 -8.973 8.155 1.00 0.00 C ATOM 386 O GLY A 24 9.993 -9.754 9.098 1.00 0.00 O ATOM 0 H GLY A 24 10.960 -6.963 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.415 -9.192 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.676 -9.626 7.239 1.00 0.00 H new ATOM 390 N ALA A 25 8.835 -8.140 8.046 1.00 0.00 N ATOM 391 CA ALA A 25 7.794 -8.070 9.054 1.00 0.00 C ATOM 392 C ALA A 25 6.446 -7.789 8.408 1.00 0.00 C ATOM 393 O ALA A 25 6.248 -6.730 7.812 1.00 0.00 O ATOM 394 CB ALA A 25 8.126 -6.996 10.082 1.00 0.00 C ATOM 0 H ALA A 25 8.705 -7.499 7.263 1.00 0.00 H new ATOM 0 HA ALA A 25 7.738 -9.032 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.337 -6.954 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.073 -7.235 10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.206 -6.029 9.585 1.00 0.00 H new ATOM 400 N PRO A 26 5.515 -8.748 8.489 1.00 0.00 N ATOM 401 CA PRO A 26 4.169 -8.601 7.944 1.00 0.00 C ATOM 402 C PRO A 26 3.275 -7.756 8.846 1.00 0.00 C ATOM 403 O PRO A 26 2.779 -8.229 9.870 1.00 0.00 O ATOM 404 CB PRO A 26 3.639 -10.043 7.865 1.00 0.00 C ATOM 405 CG PRO A 26 4.769 -10.925 8.294 1.00 0.00 C ATOM 406 CD PRO A 26 5.695 -10.064 9.103 1.00 0.00 C ATOM 0 HA PRO A 26 4.178 -8.091 6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.773 -10.176 8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.319 -10.285 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.403 -11.765 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.284 -11.344 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.427 -10.060 10.160 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.728 -10.405 9.038 1.00 0.00 H new ATOM 414 N ARG A 27 3.094 -6.501 8.472 1.00 0.00 N ATOM 415 CA ARG A 27 2.207 -5.613 9.199 1.00 0.00 C ATOM 416 C ARG A 27 0.840 -5.581 8.549 1.00 0.00 C ATOM 417 O ARG A 27 0.721 -5.408 7.337 1.00 0.00 O ATOM 418 CB ARG A 27 2.768 -4.194 9.266 1.00 0.00 C ATOM 419 CG ARG A 27 3.790 -3.986 10.366 1.00 0.00 C ATOM 420 CD ARG A 27 4.138 -2.516 10.510 1.00 0.00 C ATOM 421 NE ARG A 27 2.949 -1.686 10.712 1.00 0.00 N ATOM 422 CZ ARG A 27 2.982 -0.379 10.965 1.00 0.00 C ATOM 423 NH1 ARG A 27 4.145 0.239 11.152 1.00 0.00 N ATOM 424 NH2 ARG A 27 1.846 0.301 11.062 1.00 0.00 N ATOM 0 H ARG A 27 3.552 -6.074 7.666 1.00 0.00 H new ATOM 0 HA ARG A 27 2.120 -6.000 10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.226 -3.950 8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.944 -3.495 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.397 -4.365 11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.691 -4.557 10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.818 -2.386 11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.667 -2.180 9.618 1.00 0.00 H new ATOM 0 HE ARG A 27 2.036 -2.138 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.017 -0.288 11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.165 1.240 11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.953 -0.178 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.866 1.302 11.256 1.00 0.00 H new ATOM 438 N ILE A 28 -0.182 -5.756 9.359 1.00 0.00 N ATOM 439 CA ILE A 28 -1.546 -5.705 8.880 1.00 0.00 C ATOM 440 C ILE A 28 -2.097 -4.291 9.046 1.00 0.00 C ATOM 441 O ILE A 28 -2.246 -3.802 10.168 1.00 0.00 O ATOM 442 CB ILE A 28 -2.438 -6.708 9.640 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.802 -8.104 9.623 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.826 -6.753 9.025 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.587 -9.146 10.396 1.00 0.00 C ATOM 0 H ILE A 28 -0.092 -5.936 10.359 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.550 -5.977 7.825 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.528 -6.378 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.700 -8.433 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.796 -8.039 10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.444 -7.465 9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.280 -5.763 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.752 -7.063 7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.074 -10.106 10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.667 -8.841 11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.585 -9.241 9.968 1.00 0.00 H new ATOM 457 N PHE A 29 -2.358 -3.626 7.930 1.00 0.00 N ATOM 458 CA PHE A 29 -2.885 -2.268 7.960 1.00 0.00 C ATOM 459 C PHE A 29 -4.393 -2.293 8.144 1.00 0.00 C ATOM 460 O PHE A 29 -5.120 -2.817 7.300 1.00 0.00 O ATOM 461 CB PHE A 29 -2.534 -1.512 6.677 1.00 0.00 C ATOM 462 CG PHE A 29 -1.066 -1.476 6.377 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.172 -0.892 7.261 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.582 -2.030 5.207 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.180 -0.863 6.978 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.766 -2.003 4.921 1.00 0.00 C ATOM 467 CZ PHE A 29 1.648 -1.421 5.805 1.00 0.00 C ATOM 0 H PHE A 29 -2.214 -4.003 6.993 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.427 -1.749 8.802 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.055 -1.976 5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.904 -0.490 6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.536 -0.456 8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.267 -2.489 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.869 -0.405 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.131 -2.439 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.704 -1.401 5.581 1.00 0.00 H new ATOM 477 N ASN A 30 -4.850 -1.717 9.242 1.00 0.00 N ATOM 478 CA ASN A 30 -6.265 -1.713 9.578 1.00 0.00 C ATOM 479 C ASN A 30 -6.962 -0.575 8.854 1.00 0.00 C ATOM 480 O ASN A 30 -8.160 -0.631 8.581 1.00 0.00 O ATOM 481 CB ASN A 30 -6.461 -1.545 11.088 1.00 0.00 C ATOM 482 CG ASN A 30 -5.613 -2.498 11.908 1.00 0.00 C ATOM 483 OD1 ASN A 30 -6.043 -3.600 12.250 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.399 -2.075 12.234 1.00 0.00 N ATOM 0 H ASN A 30 -4.257 -1.242 9.922 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.694 -2.666 9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.219 -0.520 11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.512 -1.702 11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.783 -2.670 12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.081 -1.155 11.930 1.00 0.00 H new ATOM 491 N GLY A 31 -6.197 0.459 8.542 1.00 0.00 N ATOM 492 CA GLY A 31 -6.748 1.617 7.883 1.00 0.00 C ATOM 493 C GLY A 31 -5.834 2.128 6.797 1.00 0.00 C ATOM 494 O GLY A 31 -4.635 1.845 6.807 1.00 0.00 O ATOM 0 H GLY A 31 -5.197 0.514 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.718 1.365 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.919 2.406 8.616 1.00 0.00 H new ATOM 498 N VAL A 32 -6.396 2.892 5.872 1.00 0.00 N ATOM 499 CA VAL A 32 -5.641 3.415 4.740 1.00 0.00 C ATOM 500 C VAL A 32 -4.515 4.334 5.209 1.00 0.00 C ATOM 501 O VAL A 32 -3.452 4.397 4.593 1.00 0.00 O ATOM 502 CB VAL A 32 -6.559 4.181 3.764 1.00 0.00 C ATOM 503 CG1 VAL A 32 -5.777 4.665 2.553 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.727 3.307 3.333 1.00 0.00 C ATOM 0 H VAL A 32 -7.379 3.166 5.883 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.207 2.561 4.219 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.955 5.054 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.445 5.202 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.978 5.331 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.347 3.810 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.364 3.864 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.349 2.414 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.307 3.016 4.209 1.00 0.00 H new ATOM 514 N TYR A 33 -4.742 5.024 6.321 1.00 0.00 N ATOM 515 CA TYR A 33 -3.761 5.963 6.849 1.00 0.00 C ATOM 516 C TYR A 33 -2.453 5.256 7.205 1.00 0.00 C ATOM 517 O TYR A 33 -1.372 5.775 6.933 1.00 0.00 O ATOM 518 CB TYR A 33 -4.313 6.695 8.074 1.00 0.00 C ATOM 519 CG TYR A 33 -3.347 7.707 8.649 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.103 8.909 7.997 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.669 7.454 9.836 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.211 9.832 8.514 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.775 8.369 10.356 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.550 9.556 9.693 1.00 0.00 C ATOM 525 OH TYR A 33 -0.655 10.464 10.209 1.00 0.00 O ATOM 0 H TYR A 33 -5.596 4.950 6.874 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.553 6.694 6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.239 7.201 7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.564 5.965 8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.617 9.127 7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.844 6.526 10.360 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.033 10.764 7.997 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.255 8.155 11.278 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.279 10.115 11.044 1.00 0.00 H new ATOM 535 N GLU A 34 -2.557 4.068 7.801 1.00 0.00 N ATOM 536 CA GLU A 34 -1.375 3.300 8.187 1.00 0.00 C ATOM 537 C GLU A 34 -0.546 2.957 6.957 1.00 0.00 C ATOM 538 O GLU A 34 0.685 3.046 6.969 1.00 0.00 O ATOM 539 CB GLU A 34 -1.773 2.009 8.909 1.00 0.00 C ATOM 540 CG GLU A 34 -2.575 2.226 10.179 1.00 0.00 C ATOM 541 CD GLU A 34 -2.785 0.938 10.952 1.00 0.00 C ATOM 542 OE1 GLU A 34 -1.923 0.596 11.789 1.00 0.00 O ATOM 543 OE2 GLU A 34 -3.805 0.260 10.722 1.00 0.00 O ATOM 0 H GLU A 34 -3.445 3.619 8.026 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.783 3.913 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.355 1.390 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.870 1.450 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.060 2.948 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.543 2.658 9.926 1.00 0.00 H new ATOM 550 N ALA A 35 -1.242 2.583 5.893 1.00 0.00 N ATOM 551 CA ALA A 35 -0.604 2.205 4.646 1.00 0.00 C ATOM 552 C ALA A 35 -0.026 3.422 3.935 1.00 0.00 C ATOM 553 O ALA A 35 1.110 3.392 3.471 1.00 0.00 O ATOM 554 CB ALA A 35 -1.601 1.483 3.753 1.00 0.00 C ATOM 0 H ALA A 35 -2.261 2.534 5.872 1.00 0.00 H new ATOM 0 HA ALA A 35 0.222 1.530 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.115 1.202 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.960 0.587 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.443 2.142 3.541 1.00 0.00 H new ATOM 560 N PHE A 36 -0.806 4.498 3.871 1.00 0.00 N ATOM 561 CA PHE A 36 -0.372 5.726 3.207 1.00 0.00 C ATOM 562 C PHE A 36 0.877 6.289 3.879 1.00 0.00 C ATOM 563 O PHE A 36 1.814 6.721 3.204 1.00 0.00 O ATOM 564 CB PHE A 36 -1.499 6.766 3.215 1.00 0.00 C ATOM 565 CG PHE A 36 -1.154 8.047 2.505 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.049 8.081 1.123 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.932 9.214 3.219 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.732 9.255 0.467 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.614 10.391 2.568 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.513 10.411 1.191 1.00 0.00 C ATOM 0 H PHE A 36 -1.743 4.545 4.271 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.127 5.488 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.384 6.332 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.762 6.994 4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.217 7.179 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.008 9.204 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.656 9.269 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.445 11.294 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.263 11.329 0.681 1.00 0.00 H new ATOM 580 N ASP A 37 0.884 6.276 5.207 1.00 0.00 N ATOM 581 CA ASP A 37 2.056 6.693 5.969 1.00 0.00 C ATOM 582 C ASP A 37 3.239 5.795 5.633 1.00 0.00 C ATOM 583 O ASP A 37 4.314 6.276 5.276 1.00 0.00 O ATOM 584 CB ASP A 37 1.763 6.651 7.473 1.00 0.00 C ATOM 585 CG ASP A 37 2.991 6.928 8.320 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.365 8.110 8.472 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.587 5.961 8.837 1.00 0.00 O ATOM 0 H ASP A 37 0.092 5.982 5.778 1.00 0.00 H new ATOM 0 HA ASP A 37 2.303 7.719 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.992 7.384 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.362 5.672 7.733 1.00 0.00 H new ATOM 592 N PHE A 38 3.013 4.485 5.712 1.00 0.00 N ATOM 593 CA PHE A 38 4.038 3.492 5.397 1.00 0.00 C ATOM 594 C PHE A 38 4.650 3.746 4.019 1.00 0.00 C ATOM 595 O PHE A 38 5.871 3.680 3.853 1.00 0.00 O ATOM 596 CB PHE A 38 3.429 2.085 5.462 1.00 0.00 C ATOM 597 CG PHE A 38 4.291 1.007 4.867 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.515 0.685 5.430 1.00 0.00 C ATOM 599 CD2 PHE A 38 3.874 0.321 3.737 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.304 -0.305 4.878 1.00 0.00 C ATOM 601 CE2 PHE A 38 4.659 -0.668 3.184 1.00 0.00 C ATOM 602 CZ PHE A 38 5.875 -0.982 3.752 1.00 0.00 C ATOM 0 H PHE A 38 2.119 4.084 5.995 1.00 0.00 H new ATOM 0 HA PHE A 38 4.837 3.574 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.227 1.838 6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.470 2.093 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.855 1.213 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.924 0.564 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.256 -0.550 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.321 -1.197 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.491 -1.755 3.318 1.00 0.00 H new ATOM 612 N LEU A 39 3.794 4.058 3.052 1.00 0.00 N ATOM 613 CA LEU A 39 4.225 4.322 1.684 1.00 0.00 C ATOM 614 C LEU A 39 5.257 5.441 1.625 1.00 0.00 C ATOM 615 O LEU A 39 6.276 5.322 0.947 1.00 0.00 O ATOM 616 CB LEU A 39 3.027 4.697 0.812 1.00 0.00 C ATOM 617 CG LEU A 39 1.984 3.597 0.624 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.813 4.119 -0.186 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.600 2.387 -0.054 1.00 0.00 C ATOM 0 H LEU A 39 2.787 4.135 3.193 1.00 0.00 H new ATOM 0 HA LEU A 39 4.685 3.408 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.538 5.567 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.394 4.998 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 39 1.622 3.291 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.076 3.326 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.355 4.959 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.165 4.448 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.841 1.614 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.988 2.676 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.413 2.001 0.560 1.00 0.00 H new ATOM 631 N GLN A 40 4.993 6.525 2.341 1.00 0.00 N ATOM 632 CA GLN A 40 5.865 7.692 2.300 1.00 0.00 C ATOM 633 C GLN A 40 7.128 7.479 3.127 1.00 0.00 C ATOM 634 O GLN A 40 8.114 8.195 2.960 1.00 0.00 O ATOM 635 CB GLN A 40 5.122 8.937 2.786 1.00 0.00 C ATOM 636 CG GLN A 40 3.997 9.376 1.863 1.00 0.00 C ATOM 637 CD GLN A 40 3.287 10.624 2.354 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.182 10.864 3.557 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.809 11.437 1.424 1.00 0.00 N ATOM 0 H GLN A 40 4.185 6.621 2.956 1.00 0.00 H new ATOM 0 HA GLN A 40 6.164 7.840 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.712 8.741 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.834 9.756 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.401 9.561 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.274 8.566 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.916 11.202 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.334 12.298 1.695 1.00 0.00 H new ATOM 648 N HIS A 41 7.101 6.498 4.017 1.00 0.00 N ATOM 649 CA HIS A 41 8.277 6.184 4.817 1.00 0.00 C ATOM 650 C HIS A 41 9.211 5.255 4.056 1.00 0.00 C ATOM 651 O HIS A 41 10.336 5.633 3.728 1.00 0.00 O ATOM 652 CB HIS A 41 7.893 5.564 6.163 1.00 0.00 C ATOM 653 CG HIS A 41 7.374 6.554 7.162 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.189 7.198 7.231 1.00 0.00 N flip ATOM 655 CD2 HIS A 41 8.093 6.967 8.259 1.00 0.00 C flip ATOM 656 CE1 HIS A 41 6.204 7.975 8.357 1.00 0.00 C flip ATOM 657 NE2 HIS A 41 7.367 7.818 8.962 1.00 0.00 N flip ATOM 0 H HIS A 41 6.288 5.911 4.203 1.00 0.00 H new ATOM 0 HA HIS A 41 8.797 7.121 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.134 4.799 5.996 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.765 5.062 6.583 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.421 7.119 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 41 9.094 6.646 8.507 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.399 8.611 8.695 1.00 0.00 H new ATOM 666 N GLU A 42 8.744 4.052 3.746 1.00 0.00 N ATOM 667 CA GLU A 42 9.595 3.071 3.093 1.00 0.00 C ATOM 668 C GLU A 42 8.768 2.031 2.341 1.00 0.00 C ATOM 669 O GLU A 42 8.533 0.929 2.836 1.00 0.00 O ATOM 670 CB GLU A 42 10.493 2.392 4.130 1.00 0.00 C ATOM 671 CG GLU A 42 11.618 1.567 3.531 1.00 0.00 C ATOM 672 CD GLU A 42 12.508 0.967 4.595 1.00 0.00 C ATOM 673 OE1 GLU A 42 13.257 1.730 5.242 1.00 0.00 O ATOM 674 OE2 GLU A 42 12.450 -0.263 4.804 1.00 0.00 O ATOM 0 H GLU A 42 7.792 3.737 3.934 1.00 0.00 H new ATOM 0 HA GLU A 42 10.217 3.589 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.922 3.156 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.880 1.747 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.197 0.770 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.216 2.195 2.870 1.00 0.00 H new ATOM 681 N TRP A 43 8.297 2.407 1.161 1.00 0.00 N ATOM 682 CA TRP A 43 7.597 1.477 0.285 1.00 0.00 C ATOM 683 C TRP A 43 8.597 0.768 -0.631 1.00 0.00 C ATOM 684 O TRP A 43 9.236 1.405 -1.470 1.00 0.00 O ATOM 685 CB TRP A 43 6.532 2.223 -0.530 1.00 0.00 C ATOM 686 CG TRP A 43 5.810 1.374 -1.536 1.00 0.00 C ATOM 687 CD1 TRP A 43 5.733 1.598 -2.878 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.064 0.172 -1.289 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.991 0.615 -3.481 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.570 -0.272 -2.530 1.00 0.00 C ATOM 691 CE3 TRP A 43 4.769 -0.576 -0.145 1.00 0.00 C ATOM 692 CZ2 TRP A 43 3.800 -1.422 -2.658 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.003 -1.717 -0.274 1.00 0.00 C ATOM 694 CH2 TRP A 43 3.527 -2.131 -1.522 1.00 0.00 C ATOM 0 H TRP A 43 8.387 3.352 0.787 1.00 0.00 H new ATOM 0 HA TRP A 43 7.094 0.721 0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.801 2.651 0.156 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.007 3.055 -1.050 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.191 2.430 -3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.786 0.555 -4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.134 -0.266 0.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.431 -1.744 -3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.767 -2.300 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.931 -3.029 -1.590 1.00 0.00 H new ATOM 705 N PRO A 44 8.753 -0.560 -0.452 1.00 0.00 N ATOM 706 CA PRO A 44 9.717 -1.382 -1.207 1.00 0.00 C ATOM 707 C PRO A 44 9.670 -1.181 -2.724 1.00 0.00 C ATOM 708 O PRO A 44 10.709 -1.200 -3.387 1.00 0.00 O ATOM 709 CB PRO A 44 9.305 -2.813 -0.857 1.00 0.00 C ATOM 710 CG PRO A 44 8.695 -2.708 0.495 1.00 0.00 C ATOM 711 CD PRO A 44 8.012 -1.369 0.541 1.00 0.00 C ATOM 0 HA PRO A 44 10.740 -1.117 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.595 -3.210 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.165 -3.483 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.982 -3.515 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.455 -2.785 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.956 -1.450 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.064 -0.927 1.536 1.00 0.00 H new ATOM 719 N ALA A 45 8.477 -1.000 -3.277 1.00 0.00 N ATOM 720 CA ALA A 45 8.336 -0.826 -4.718 1.00 0.00 C ATOM 721 C ALA A 45 8.605 0.623 -5.115 1.00 0.00 C ATOM 722 O ALA A 45 7.692 1.443 -5.211 1.00 0.00 O ATOM 723 CB ALA A 45 6.962 -1.279 -5.191 1.00 0.00 C ATOM 0 H ALA A 45 7.601 -0.970 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 45 9.079 -1.454 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.884 -1.138 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.824 -2.333 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.193 -0.690 -4.691 1.00 0.00 H new ATOM 729 N ARG A 46 9.875 0.929 -5.321 1.00 0.00 N ATOM 730 CA ARG A 46 10.297 2.281 -5.647 1.00 0.00 C ATOM 731 C ARG A 46 10.572 2.419 -7.140 1.00 0.00 C ATOM 732 O ARG A 46 10.989 1.466 -7.799 1.00 0.00 O ATOM 733 CB ARG A 46 11.540 2.647 -4.834 1.00 0.00 C ATOM 734 CG ARG A 46 12.643 1.607 -4.917 1.00 0.00 C ATOM 735 CD ARG A 46 13.736 1.861 -3.894 1.00 0.00 C ATOM 736 NE ARG A 46 14.713 0.775 -3.869 1.00 0.00 N ATOM 737 CZ ARG A 46 15.082 0.131 -2.762 1.00 0.00 C ATOM 738 NH1 ARG A 46 14.605 0.510 -1.579 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.938 -0.881 -2.832 1.00 0.00 N ATOM 0 H ARG A 46 10.637 0.253 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 46 9.492 2.969 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.926 3.604 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.256 2.782 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.220 0.615 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.074 1.613 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.240 2.799 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.291 1.973 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 46 15.138 0.493 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.956 1.294 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.888 0.016 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.316 -1.168 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.218 -1.372 -1.983 1.00 0.00 H new ATOM 753 N GLY A 47 10.328 3.609 -7.662 1.00 0.00 N ATOM 754 CA GLY A 47 10.525 3.869 -9.072 1.00 0.00 C ATOM 755 C GLY A 47 9.791 5.118 -9.504 1.00 0.00 C ATOM 756 O GLY A 47 10.277 6.228 -9.292 1.00 0.00 O ATOM 0 H GLY A 47 9.993 4.410 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.589 3.979 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.173 3.017 -9.654 1.00 0.00 H new ATOM 760 N ASP A 48 8.610 4.948 -10.080 1.00 0.00 N ATOM 761 CA ASP A 48 7.767 6.082 -10.436 1.00 0.00 C ATOM 762 C ASP A 48 6.296 5.696 -10.430 1.00 0.00 C ATOM 763 O ASP A 48 5.599 5.929 -9.455 1.00 0.00 O ATOM 764 CB ASP A 48 8.146 6.654 -11.805 1.00 0.00 C ATOM 765 CG ASP A 48 7.233 7.796 -12.219 1.00 0.00 C ATOM 766 OD1 ASP A 48 7.093 8.764 -11.444 1.00 0.00 O ATOM 767 OD2 ASP A 48 6.661 7.737 -13.330 1.00 0.00 O ATOM 0 H ASP A 48 8.213 4.037 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 48 7.932 6.851 -9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.177 7.006 -11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.099 5.863 -12.554 1.00 0.00 H new ATOM 772 N ARG A 49 5.851 5.059 -11.503 1.00 0.00 N ATOM 773 CA ARG A 49 4.431 4.788 -11.712 1.00 0.00 C ATOM 774 C ARG A 49 3.892 3.771 -10.705 1.00 0.00 C ATOM 775 O ARG A 49 2.747 3.875 -10.263 1.00 0.00 O ATOM 776 CB ARG A 49 4.216 4.302 -13.144 1.00 0.00 C ATOM 777 CG ARG A 49 2.760 4.184 -13.557 1.00 0.00 C ATOM 778 CD ARG A 49 2.633 4.167 -15.073 1.00 0.00 C ATOM 779 NE ARG A 49 1.260 3.944 -15.522 1.00 0.00 N ATOM 780 CZ ARG A 49 0.406 4.921 -15.835 1.00 0.00 C ATOM 781 NH1 ARG A 49 0.736 6.193 -15.638 1.00 0.00 N ATOM 782 NH2 ARG A 49 -0.786 4.623 -16.333 1.00 0.00 N ATOM 0 H ARG A 49 6.456 4.717 -12.249 1.00 0.00 H new ATOM 0 HA ARG A 49 3.876 5.713 -11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.720 4.987 -13.826 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.693 3.329 -13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.331 3.273 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.192 5.020 -13.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.993 5.115 -15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.275 3.385 -15.478 1.00 0.00 H new ATOM 0 HE ARG A 49 0.934 2.981 -15.601 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.647 6.428 -15.245 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.078 6.934 -15.880 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.050 3.648 -16.477 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.440 5.369 -16.573 1.00 0.00 H new ATOM 796 N ALA A 50 4.719 2.802 -10.330 1.00 0.00 N ATOM 797 CA ALA A 50 4.314 1.789 -9.359 1.00 0.00 C ATOM 798 C ALA A 50 4.176 2.411 -7.975 1.00 0.00 C ATOM 799 O ALA A 50 3.241 2.113 -7.231 1.00 0.00 O ATOM 800 CB ALA A 50 5.316 0.645 -9.333 1.00 0.00 C ATOM 0 H ALA A 50 5.671 2.695 -10.681 1.00 0.00 H new ATOM 0 HA ALA A 50 3.345 1.388 -9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.998 -0.100 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.371 0.187 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.298 1.028 -9.056 1.00 0.00 H new ATOM 806 N HIS A 51 5.109 3.293 -7.654 1.00 0.00 N ATOM 807 CA HIS A 51 5.095 4.007 -6.386 1.00 0.00 C ATOM 808 C HIS A 51 3.953 5.021 -6.384 1.00 0.00 C ATOM 809 O HIS A 51 3.191 5.121 -5.423 1.00 0.00 O ATOM 810 CB HIS A 51 6.444 4.706 -6.184 1.00 0.00 C ATOM 811 CG HIS A 51 6.601 5.381 -4.855 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.873 4.873 -3.631 1.00 0.00 N flip ATOM 813 CD2 HIS A 51 6.518 6.743 -4.692 1.00 0.00 C flip ATOM 814 CE1 HIS A 51 6.953 5.929 -2.759 1.00 0.00 C flip ATOM 815 NE2 HIS A 51 6.735 7.046 -3.427 1.00 0.00 N flip ATOM 0 H HIS A 51 5.893 3.534 -8.260 1.00 0.00 H new ATOM 0 HA HIS A 51 4.937 3.307 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.241 3.971 -6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.576 5.447 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.308 7.454 -5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.160 5.858 -1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.734 7.986 -3.031 1.00 0.00 H new ATOM 824 N GLU A 52 3.844 5.745 -7.491 1.00 0.00 N ATOM 825 CA GLU A 52 2.801 6.740 -7.699 1.00 0.00 C ATOM 826 C GLU A 52 1.416 6.152 -7.460 1.00 0.00 C ATOM 827 O GLU A 52 0.663 6.649 -6.623 1.00 0.00 O ATOM 828 CB GLU A 52 2.898 7.271 -9.129 1.00 0.00 C ATOM 829 CG GLU A 52 1.762 8.184 -9.543 1.00 0.00 C ATOM 830 CD GLU A 52 1.852 8.557 -11.005 1.00 0.00 C ATOM 831 OE1 GLU A 52 1.375 7.774 -11.854 1.00 0.00 O ATOM 832 OE2 GLU A 52 2.418 9.624 -11.312 1.00 0.00 O ATOM 0 H GLU A 52 4.486 5.656 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 52 2.946 7.551 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.839 7.811 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.934 6.425 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.809 7.690 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.781 9.088 -8.934 1.00 0.00 H new ATOM 839 N GLN A 53 1.101 5.088 -8.193 1.00 0.00 N ATOM 840 CA GLN A 53 -0.214 4.461 -8.125 1.00 0.00 C ATOM 841 C GLN A 53 -0.603 4.137 -6.685 1.00 0.00 C ATOM 842 O GLN A 53 -1.707 4.461 -6.249 1.00 0.00 O ATOM 843 CB GLN A 53 -0.236 3.191 -8.977 1.00 0.00 C ATOM 844 CG GLN A 53 -1.601 2.529 -9.055 1.00 0.00 C ATOM 845 CD GLN A 53 -1.599 1.283 -9.921 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.739 1.261 -10.928 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 -2.368 0.351 -9.692 1.00 0.00 N flip ATOM 0 H GLN A 53 1.744 4.640 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.944 5.169 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.097 3.435 -9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.480 2.478 -8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.931 2.267 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.324 3.242 -9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.016 0.406 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.358 -0.477 -10.288 1.00 0.00 H new ATOM 856 N ALA A 54 0.321 3.528 -5.949 1.00 0.00 N ATOM 857 CA ALA A 54 0.073 3.140 -4.564 1.00 0.00 C ATOM 858 C ALA A 54 -0.368 4.334 -3.716 1.00 0.00 C ATOM 859 O ALA A 54 -1.363 4.257 -2.991 1.00 0.00 O ATOM 860 CB ALA A 54 1.319 2.498 -3.971 1.00 0.00 C ATOM 0 H ALA A 54 1.253 3.291 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.740 2.414 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.124 2.212 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.582 1.612 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.144 3.209 -4.001 1.00 0.00 H new ATOM 866 N LEU A 55 0.357 5.442 -3.827 1.00 0.00 N ATOM 867 CA LEU A 55 0.043 6.635 -3.047 1.00 0.00 C ATOM 868 C LEU A 55 -1.223 7.317 -3.561 1.00 0.00 C ATOM 869 O LEU A 55 -2.030 7.811 -2.773 1.00 0.00 O ATOM 870 CB LEU A 55 1.213 7.628 -3.052 1.00 0.00 C ATOM 871 CG LEU A 55 2.346 7.326 -2.060 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.129 6.091 -2.474 1.00 0.00 C ATOM 873 CD2 LEU A 55 3.272 8.524 -1.930 1.00 0.00 C ATOM 0 H LEU A 55 1.162 5.540 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.131 6.311 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.634 7.661 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.822 8.623 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 55 1.895 7.125 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.923 5.905 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.460 5.231 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.566 6.251 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.069 8.293 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.706 8.756 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.706 9.384 -1.571 1.00 0.00 H new ATOM 885 N ARG A 56 -1.402 7.327 -4.877 1.00 0.00 N ATOM 886 CA ARG A 56 -2.574 7.954 -5.490 1.00 0.00 C ATOM 887 C ARG A 56 -3.860 7.269 -5.036 1.00 0.00 C ATOM 888 O ARG A 56 -4.870 7.928 -4.775 1.00 0.00 O ATOM 889 CB ARG A 56 -2.469 7.914 -7.018 1.00 0.00 C ATOM 890 CG ARG A 56 -1.354 8.785 -7.571 1.00 0.00 C ATOM 891 CD ARG A 56 -1.660 10.263 -7.399 1.00 0.00 C ATOM 892 NE ARG A 56 -0.494 11.101 -7.670 1.00 0.00 N ATOM 893 CZ ARG A 56 -0.149 11.554 -8.876 1.00 0.00 C ATOM 894 NH1 ARG A 56 -0.853 11.210 -9.949 1.00 0.00 N ATOM 895 NH2 ARG A 56 0.911 12.343 -9.007 1.00 0.00 N ATOM 0 H ARG A 56 -0.752 6.909 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.605 8.994 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.307 6.884 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.418 8.235 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.419 8.545 -7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.209 8.564 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.472 10.545 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.008 10.445 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 56 0.098 11.358 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.662 10.596 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.584 11.560 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.459 12.601 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.177 12.691 -9.928 1.00 0.00 H new ATOM 909 N LEU A 57 -3.813 5.947 -4.941 1.00 0.00 N ATOM 910 CA LEU A 57 -4.959 5.169 -4.486 1.00 0.00 C ATOM 911 C LEU A 57 -5.286 5.492 -3.034 1.00 0.00 C ATOM 912 O LEU A 57 -6.437 5.762 -2.690 1.00 0.00 O ATOM 913 CB LEU A 57 -4.676 3.672 -4.627 1.00 0.00 C ATOM 914 CG LEU A 57 -4.433 3.185 -6.054 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.948 1.746 -6.044 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.701 3.314 -6.885 1.00 0.00 C ATOM 0 H LEU A 57 -2.991 5.389 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.815 5.432 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.803 3.426 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.518 3.119 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.662 3.808 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.779 1.412 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.016 1.680 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.700 1.112 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.509 2.962 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.493 2.714 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.011 4.359 -6.916 1.00 0.00 H new ATOM 928 N CYS A 58 -4.264 5.480 -2.190 1.00 0.00 N ATOM 929 CA CYS A 58 -4.440 5.732 -0.767 1.00 0.00 C ATOM 930 C CYS A 58 -4.898 7.168 -0.511 1.00 0.00 C ATOM 931 O CYS A 58 -5.688 7.419 0.401 1.00 0.00 O ATOM 932 CB CYS A 58 -3.139 5.439 -0.021 1.00 0.00 C ATOM 933 SG CYS A 58 -2.556 3.740 -0.224 1.00 0.00 S ATOM 0 H CYS A 58 -3.300 5.297 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.219 5.067 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.367 6.124 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.285 5.640 1.040 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.947 3.624 -1.367 1.00 0.00 H new ATOM 939 N ARG A 59 -4.417 8.100 -1.330 1.00 0.00 N ATOM 940 CA ARG A 59 -4.816 9.499 -1.212 1.00 0.00 C ATOM 941 C ARG A 59 -6.318 9.653 -1.450 1.00 0.00 C ATOM 942 O ARG A 59 -6.995 10.405 -0.750 1.00 0.00 O ATOM 943 CB ARG A 59 -4.047 10.373 -2.210 1.00 0.00 C ATOM 944 CG ARG A 59 -4.378 11.850 -2.081 1.00 0.00 C ATOM 945 CD ARG A 59 -3.791 12.672 -3.215 1.00 0.00 C ATOM 946 NE ARG A 59 -4.162 14.082 -3.092 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.563 14.849 -4.109 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.629 14.360 -5.340 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.912 16.111 -3.883 1.00 0.00 N ATOM 0 H ARG A 59 -3.752 7.912 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.579 9.827 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.977 10.231 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.273 10.043 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.460 11.978 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.999 12.224 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.705 12.577 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.143 12.282 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.111 14.508 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.372 13.389 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.937 14.955 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.873 16.489 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.219 16.701 -4.656 1.00 0.00 H new ATOM 963 N ALA A 60 -6.830 8.933 -2.440 1.00 0.00 N ATOM 964 CA ALA A 60 -8.250 8.985 -2.765 1.00 0.00 C ATOM 965 C ALA A 60 -9.069 8.203 -1.743 1.00 0.00 C ATOM 966 O ALA A 60 -10.186 8.586 -1.400 1.00 0.00 O ATOM 967 CB ALA A 60 -8.489 8.446 -4.167 1.00 0.00 C ATOM 0 H ALA A 60 -6.284 8.307 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.573 10.026 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.553 8.490 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.936 9.049 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.149 7.412 -4.222 1.00 0.00 H new ATOM 973 N SER A 61 -8.503 7.112 -1.253 1.00 0.00 N ATOM 974 CA SER A 61 -9.180 6.271 -0.276 1.00 0.00 C ATOM 975 C SER A 61 -9.409 7.016 1.041 1.00 0.00 C ATOM 976 O SER A 61 -10.411 6.788 1.715 1.00 0.00 O ATOM 977 CB SER A 61 -8.371 4.998 -0.036 1.00 0.00 C ATOM 978 OG SER A 61 -8.180 4.286 -1.248 1.00 0.00 O ATOM 0 H SER A 61 -7.573 6.786 -1.516 1.00 0.00 H new ATOM 0 HA SER A 61 -10.158 6.004 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.404 5.253 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.887 4.365 0.686 1.00 0.00 H new ATOM 0 HG SER A 61 -7.657 4.834 -1.870 1.00 0.00 H new ATOM 984 N LEU A 62 -8.499 7.927 1.389 1.00 0.00 N ATOM 985 CA LEU A 62 -8.627 8.710 2.622 1.00 0.00 C ATOM 986 C LEU A 62 -9.764 9.729 2.532 1.00 0.00 C ATOM 987 O LEU A 62 -10.120 10.366 3.524 1.00 0.00 O ATOM 988 CB LEU A 62 -7.314 9.429 2.950 1.00 0.00 C ATOM 989 CG LEU A 62 -6.202 8.540 3.513 1.00 0.00 C ATOM 990 CD1 LEU A 62 -4.940 9.354 3.746 1.00 0.00 C ATOM 991 CD2 LEU A 62 -6.654 7.877 4.806 1.00 0.00 C ATOM 0 H LEU A 62 -7.668 8.141 0.838 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.861 8.008 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.947 9.911 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.523 10.221 3.670 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.981 7.760 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.159 8.708 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.606 9.785 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.149 10.154 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.852 7.249 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.901 8.643 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.534 7.263 4.612 1.00 0.00 H new ATOM 1003 N MET A 63 -10.329 9.884 1.343 1.00 0.00 N ATOM 1004 CA MET A 63 -11.459 10.781 1.150 1.00 0.00 C ATOM 1005 C MET A 63 -12.743 9.986 0.942 1.00 0.00 C ATOM 1006 O MET A 63 -13.835 10.551 0.865 1.00 0.00 O ATOM 1007 CB MET A 63 -11.217 11.707 -0.039 1.00 0.00 C ATOM 1008 CG MET A 63 -10.109 12.721 0.195 1.00 0.00 C ATOM 1009 SD MET A 63 -10.492 13.871 1.532 1.00 0.00 S ATOM 1010 CE MET A 63 -11.998 14.619 0.916 1.00 0.00 C ATOM 0 H MET A 63 -10.024 9.401 0.498 1.00 0.00 H new ATOM 0 HA MET A 63 -11.565 11.390 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.968 11.105 -0.913 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.141 12.238 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.183 12.195 0.427 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.935 13.282 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.176 15.560 1.436 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.900 14.808 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.837 13.945 1.089 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.604 8.667 0.862 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.754 7.807 0.669 1.00 0.00 C ATOM 1022 C GLY A 64 -14.121 7.644 -0.792 1.00 0.00 C ATOM 1023 O GLY A 64 -15.249 7.266 -1.115 1.00 0.00 O ATOM 0 H GLY A 64 -11.711 8.178 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.547 6.827 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.606 8.219 1.210 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.177 7.937 -1.679 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.402 7.780 -3.113 1.00 0.00 C ATOM 1029 C ASP A 65 -13.346 6.314 -3.507 1.00 0.00 C ATOM 1030 O ASP A 65 -14.109 5.854 -4.360 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.359 8.551 -3.923 1.00 0.00 C ATOM 1032 CG ASP A 65 -12.493 10.050 -3.792 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -13.256 10.657 -4.572 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -11.813 10.640 -2.932 1.00 0.00 O ATOM 0 H ASP A 65 -12.250 8.284 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.392 8.181 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.362 8.252 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.448 8.275 -4.974 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.432 5.588 -2.886 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.223 4.186 -3.199 1.00 0.00 C ATOM 1041 C VAL A 66 -12.760 3.311 -2.070 1.00 0.00 C ATOM 1042 O VAL A 66 -12.332 3.432 -0.921 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.729 3.883 -3.428 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.540 2.463 -3.926 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.117 4.876 -4.407 1.00 0.00 C ATOM 0 H VAL A 66 -11.819 5.951 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.763 3.963 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.215 3.985 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.478 2.270 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.932 1.763 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.074 2.334 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.063 4.641 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.638 4.813 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.212 5.886 -4.008 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.701 2.440 -2.401 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.370 1.618 -1.403 1.00 0.00 C ATOM 1057 C ALA A 67 -13.518 0.432 -0.953 1.00 0.00 C ATOM 1058 O ALA A 67 -13.556 -0.638 -1.564 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.710 1.133 -1.933 1.00 0.00 C ATOM 0 H ALA A 67 -14.020 2.283 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.531 2.246 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.200 0.519 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.340 1.991 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.552 0.541 -2.834 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.718 0.666 0.086 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.053 -0.403 0.821 1.00 0.00 C ATOM 1067 C GLY A 68 -11.293 -1.403 -0.036 1.00 0.00 C ATOM 1068 O GLY A 68 -10.165 -1.140 -0.466 1.00 0.00 O ATOM 0 H GLY A 68 -12.514 1.601 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.358 0.044 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.801 -0.942 1.403 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.915 -2.559 -0.267 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.273 -3.680 -0.946 1.00 0.00 C ATOM 1074 C GLU A 69 -10.778 -3.309 -2.344 1.00 0.00 C ATOM 1075 O GLU A 69 -9.825 -3.905 -2.844 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.228 -4.873 -1.024 1.00 0.00 C ATOM 1077 CG GLU A 69 -11.634 -6.087 -1.721 1.00 0.00 C ATOM 1078 CD GLU A 69 -12.514 -7.308 -1.607 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.514 -7.400 -2.347 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -12.222 -8.174 -0.757 1.00 0.00 O ATOM 0 H GLU A 69 -12.879 -2.743 0.012 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.399 -3.953 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.527 -5.155 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.133 -4.569 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.475 -5.855 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.657 -6.306 -1.291 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.412 -2.329 -2.973 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.982 -1.884 -4.292 1.00 0.00 C ATOM 1089 C ILE A 70 -9.550 -1.358 -4.233 1.00 0.00 C ATOM 1090 O ILE A 70 -8.708 -1.721 -5.057 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.917 -0.801 -4.863 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.343 -1.350 -4.977 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.418 -0.323 -6.222 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -14.339 -0.355 -5.530 1.00 0.00 C ATOM 0 H ILE A 70 -12.218 -1.831 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.024 -2.746 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.921 0.052 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.332 -2.233 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.677 -1.675 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.092 0.442 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.417 0.095 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.388 -1.164 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.325 -0.817 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.380 0.518 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.030 -0.048 -6.529 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.270 -0.533 -3.229 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.924 -0.014 -3.021 1.00 0.00 C ATOM 1108 C ALA A 71 -6.996 -1.136 -2.584 1.00 0.00 C ATOM 1109 O ALA A 71 -5.835 -1.185 -2.978 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.931 1.097 -1.983 1.00 0.00 C ATOM 0 H ALA A 71 -9.957 -0.210 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.563 0.400 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.917 1.470 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.573 1.909 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.309 0.709 -1.037 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.533 -2.040 -1.776 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.787 -3.196 -1.295 1.00 0.00 C ATOM 1118 C ARG A 72 -6.296 -4.056 -2.459 1.00 0.00 C ATOM 1119 O ARG A 72 -5.120 -4.408 -2.524 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.668 -4.019 -0.348 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.185 -5.441 -0.122 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.064 -6.173 0.877 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.903 -7.620 0.778 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.168 -8.351 1.613 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -6.562 -7.789 2.650 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.057 -9.654 1.424 1.00 0.00 N ATOM 0 H ARG A 72 -8.494 -1.994 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.910 -2.845 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.722 -3.509 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.681 -4.051 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.181 -5.980 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.157 -5.424 0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.816 -5.847 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.108 -5.910 0.705 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.385 -8.103 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.657 -6.787 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.001 -8.359 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.534 -10.098 0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.494 -10.216 2.063 1.00 0.00 H new ATOM 1140 N THR A 73 -7.194 -4.376 -3.380 1.00 0.00 N ATOM 1141 CA THR A 73 -6.854 -5.215 -4.521 1.00 0.00 C ATOM 1142 C THR A 73 -5.859 -4.510 -5.445 1.00 0.00 C ATOM 1143 O THR A 73 -4.902 -5.119 -5.927 1.00 0.00 O ATOM 1144 CB THR A 73 -8.119 -5.604 -5.313 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.095 -6.161 -4.420 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.793 -6.616 -6.403 1.00 0.00 C ATOM 0 H THR A 73 -8.166 -4.067 -3.359 1.00 0.00 H new ATOM 0 HA THR A 73 -6.388 -6.122 -4.135 1.00 0.00 H new ATOM 0 HB THR A 73 -8.517 -4.705 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.446 -5.455 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.703 -6.872 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.068 -6.186 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.374 -7.515 -5.951 1.00 0.00 H new ATOM 1154 N ALA A 74 -6.076 -3.219 -5.671 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.183 -2.432 -6.512 1.00 0.00 C ATOM 1156 C ALA A 74 -3.814 -2.279 -5.854 1.00 0.00 C ATOM 1157 O ALA A 74 -2.787 -2.234 -6.530 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.800 -1.073 -6.807 1.00 0.00 C ATOM 0 H ALA A 74 -6.862 -2.696 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.042 -2.958 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.123 -0.495 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.749 -1.209 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.970 -0.540 -5.872 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.808 -2.216 -4.527 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.570 -2.132 -3.766 1.00 0.00 C ATOM 1166 C PHE A 75 -1.779 -3.429 -3.920 1.00 0.00 C ATOM 1167 O PHE A 75 -0.549 -3.419 -3.984 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.882 -1.862 -2.291 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.696 -1.427 -1.484 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.244 -0.120 -1.552 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.040 -2.316 -0.651 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.157 0.292 -0.808 1.00 0.00 C ATOM 1173 CE2 PHE A 75 0.049 -1.910 0.095 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.491 -0.605 0.018 1.00 0.00 C ATOM 0 H PHE A 75 -4.652 -2.222 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.966 -1.309 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.652 -1.093 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.298 -2.767 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.748 0.586 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.383 -3.338 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.186 1.314 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.555 -2.614 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.342 -0.286 0.602 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.502 -4.543 -3.993 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.893 -5.845 -4.248 1.00 0.00 C ATOM 1186 C VAL A 76 -1.191 -5.845 -5.605 1.00 0.00 C ATOM 1187 O VAL A 76 -0.096 -6.392 -5.752 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.950 -6.978 -4.205 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.357 -8.307 -4.648 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.538 -7.105 -2.809 1.00 0.00 C ATOM 0 H VAL A 76 -3.515 -4.570 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.160 -6.029 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.746 -6.715 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.124 -9.080 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.987 -8.218 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.534 -8.577 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.278 -7.905 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.744 -7.335 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.015 -6.166 -2.528 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.817 -5.205 -6.586 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.251 -5.109 -7.927 1.00 0.00 C ATOM 1202 C ALA A 77 0.066 -4.337 -7.914 1.00 0.00 C ATOM 1203 O ALA A 77 1.004 -4.678 -8.635 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.241 -4.455 -8.877 1.00 0.00 C ATOM 0 H ALA A 77 -2.720 -4.743 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.046 -6.120 -8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.802 -4.392 -9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.153 -5.051 -8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.479 -3.453 -8.521 1.00 0.00 H new ATOM 1210 N ALA A 78 0.137 -3.304 -7.083 1.00 0.00 N ATOM 1211 CA ALA A 78 1.356 -2.517 -6.946 1.00 0.00 C ATOM 1212 C ALA A 78 2.418 -3.301 -6.179 1.00 0.00 C ATOM 1213 O ALA A 78 3.604 -3.263 -6.514 1.00 0.00 O ATOM 1214 CB ALA A 78 1.059 -1.196 -6.250 1.00 0.00 C ATOM 0 H ALA A 78 -0.635 -2.992 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 78 1.743 -2.303 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.979 -0.620 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.335 -0.630 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.649 -1.391 -5.259 1.00 0.00 H new ATOM 1220 N SER A 79 1.976 -4.040 -5.166 1.00 0.00 N ATOM 1221 CA SER A 79 2.872 -4.840 -4.336 1.00 0.00 C ATOM 1222 C SER A 79 3.473 -6.000 -5.130 1.00 0.00 C ATOM 1223 O SER A 79 4.476 -6.593 -4.725 1.00 0.00 O ATOM 1224 CB SER A 79 2.113 -5.377 -3.121 1.00 0.00 C ATOM 1225 OG SER A 79 1.493 -4.322 -2.408 1.00 0.00 O ATOM 0 H SER A 79 0.994 -4.102 -4.898 1.00 0.00 H new ATOM 0 HA SER A 79 3.688 -4.200 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.359 -6.095 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.800 -5.911 -2.464 1.00 0.00 H new ATOM 0 HG SER A 79 0.676 -4.048 -2.875 1.00 0.00 H new ATOM 1231 N ARG A 80 2.855 -6.303 -6.266 1.00 0.00 N ATOM 1232 CA ARG A 80 3.287 -7.400 -7.124 1.00 0.00 C ATOM 1233 C ARG A 80 4.706 -7.169 -7.638 1.00 0.00 C ATOM 1234 O ARG A 80 5.495 -8.107 -7.740 1.00 0.00 O ATOM 1235 CB ARG A 80 2.313 -7.546 -8.297 1.00 0.00 C ATOM 1236 CG ARG A 80 2.583 -8.748 -9.189 1.00 0.00 C ATOM 1237 CD ARG A 80 1.578 -8.817 -10.326 1.00 0.00 C ATOM 1238 NE ARG A 80 1.718 -10.038 -11.118 1.00 0.00 N ATOM 1239 CZ ARG A 80 0.687 -10.727 -11.607 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -0.555 -10.312 -11.390 1.00 0.00 N ATOM 1241 NH2 ARG A 80 0.902 -11.826 -12.317 1.00 0.00 N ATOM 0 H ARG A 80 2.042 -5.797 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 80 3.290 -8.320 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.299 -7.620 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.355 -6.641 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.593 -8.685 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.533 -9.663 -8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.568 -8.765 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.706 -7.950 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 80 2.659 -10.383 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.722 -9.464 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.342 -10.841 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.856 -12.144 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.113 -12.354 -12.691 1.00 0.00 H new ATOM 1255 N GLN A 81 5.031 -5.911 -7.935 1.00 0.00 N ATOM 1256 CA GLN A 81 6.348 -5.556 -8.461 1.00 0.00 C ATOM 1257 C GLN A 81 7.451 -5.923 -7.473 1.00 0.00 C ATOM 1258 O GLN A 81 8.486 -6.470 -7.852 1.00 0.00 O ATOM 1259 CB GLN A 81 6.419 -4.058 -8.770 1.00 0.00 C ATOM 1260 CG GLN A 81 7.772 -3.616 -9.303 1.00 0.00 C ATOM 1261 CD GLN A 81 7.880 -2.115 -9.479 1.00 0.00 C ATOM 1262 OE1 GLN A 81 8.284 -1.398 -8.566 1.00 0.00 O ATOM 1263 NE2 GLN A 81 7.530 -1.628 -10.658 1.00 0.00 N ATOM 0 H GLN A 81 4.398 -5.119 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 81 6.498 -6.121 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.650 -3.808 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.192 -3.496 -7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.552 -3.953 -8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.955 -4.102 -10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.199 -2.255 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.591 -0.625 -10.834 1.00 0.00 H new ATOM 1272 N ALA A 82 7.214 -5.631 -6.203 1.00 0.00 N ATOM 1273 CA ALA A 82 8.200 -5.890 -5.163 1.00 0.00 C ATOM 1274 C ALA A 82 8.051 -7.304 -4.612 1.00 0.00 C ATOM 1275 O ALA A 82 8.812 -7.721 -3.736 1.00 0.00 O ATOM 1276 CB ALA A 82 8.060 -4.867 -4.046 1.00 0.00 C ATOM 0 H ALA A 82 6.346 -5.214 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 82 9.194 -5.802 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.801 -5.069 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.218 -3.866 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.061 -4.932 -3.616 1.00 0.00 H new ATOM 1282 N HIS A 83 7.064 -8.031 -5.137 1.00 0.00 N ATOM 1283 CA HIS A 83 6.759 -9.386 -4.678 1.00 0.00 C ATOM 1284 C HIS A 83 6.433 -9.384 -3.188 1.00 0.00 C ATOM 1285 O HIS A 83 6.715 -10.343 -2.471 1.00 0.00 O ATOM 1286 CB HIS A 83 7.919 -10.344 -4.974 1.00 0.00 C ATOM 1287 CG HIS A 83 8.052 -10.696 -6.423 1.00 0.00 C ATOM 1288 ND1 HIS A 83 7.717 -11.933 -6.929 1.00 0.00 N ATOM 1289 CD2 HIS A 83 8.495 -9.969 -7.478 1.00 0.00 C ATOM 1290 CE1 HIS A 83 7.943 -11.951 -8.229 1.00 0.00 C ATOM 1291 NE2 HIS A 83 8.414 -10.771 -8.588 1.00 0.00 N ATOM 0 H HIS A 83 6.457 -7.700 -5.887 1.00 0.00 H new ATOM 0 HA HIS A 83 5.885 -9.738 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.849 -9.891 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.780 -11.259 -4.398 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.846 -8.948 -7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.772 -12.789 -8.888 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.675 -10.500 -9.536 1.00 0.00 H new ATOM 1300 N CYS A 84 5.799 -8.309 -2.741 1.00 0.00 N ATOM 1301 CA CYS A 84 5.427 -8.150 -1.343 1.00 0.00 C ATOM 1302 C CYS A 84 4.048 -8.762 -1.098 1.00 0.00 C ATOM 1303 O CYS A 84 3.284 -8.313 -0.245 1.00 0.00 O ATOM 1304 CB CYS A 84 5.435 -6.661 -0.978 1.00 0.00 C ATOM 1305 SG CYS A 84 5.066 -6.308 0.755 1.00 0.00 S ATOM 0 H CYS A 84 5.529 -7.525 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 84 6.148 -8.669 -0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.414 -6.247 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.707 -6.143 -1.603 1.00 0.00 H new ATOM 0 HG CYS A 84 4.019 -6.985 1.122 1.00 0.00 H new ATOM 1311 N LEU A 85 3.748 -9.814 -1.842 1.00 0.00 N ATOM 1312 CA LEU A 85 2.443 -10.442 -1.771 1.00 0.00 C ATOM 1313 C LEU A 85 2.399 -11.487 -0.680 1.00 0.00 C ATOM 1314 O LEU A 85 3.199 -12.428 -0.658 1.00 0.00 O ATOM 1315 CB LEU A 85 2.071 -11.069 -3.107 1.00 0.00 C ATOM 1316 CG LEU A 85 1.986 -10.083 -4.263 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.631 -10.803 -5.549 1.00 0.00 C ATOM 1318 CD2 LEU A 85 0.971 -8.992 -3.963 1.00 0.00 C ATOM 0 H LEU A 85 4.392 -10.250 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 85 1.717 -9.665 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.807 -11.835 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.110 -11.572 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 85 2.963 -9.615 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.574 -10.083 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.396 -11.546 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.667 -11.298 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.925 -8.297 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.010 -9.440 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.270 -8.455 -3.063 1.00 0.00 H new ATOM 1330 N MET A 86 1.470 -11.296 0.229 1.00 0.00 N ATOM 1331 CA MET A 86 1.242 -12.236 1.314 1.00 0.00 C ATOM 1332 C MET A 86 -0.245 -12.404 1.561 1.00 0.00 C ATOM 1333 O MET A 86 -1.042 -11.512 1.259 1.00 0.00 O ATOM 1334 CB MET A 86 1.913 -11.769 2.613 1.00 0.00 C ATOM 1335 CG MET A 86 3.430 -11.771 2.571 1.00 0.00 C ATOM 1336 SD MET A 86 4.169 -11.431 4.181 1.00 0.00 S ATOM 1337 CE MET A 86 3.570 -12.832 5.126 1.00 0.00 C ATOM 0 H MET A 86 0.849 -10.487 0.241 1.00 0.00 H new ATOM 0 HA MET A 86 1.680 -13.189 1.016 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.569 -10.760 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.583 -12.412 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.779 -12.740 2.213 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.771 -11.024 1.854 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.362 -13.194 5.781 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.713 -12.526 5.727 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.270 -13.628 4.445 1.00 0.00 H new ATOM 1347 N GLU A 87 -0.613 -13.554 2.090 1.00 0.00 N ATOM 1348 CA GLU A 87 -1.968 -13.775 2.552 1.00 0.00 C ATOM 1349 C GLU A 87 -2.128 -13.170 3.936 1.00 0.00 C ATOM 1350 O GLU A 87 -1.181 -13.155 4.725 1.00 0.00 O ATOM 1351 CB GLU A 87 -2.287 -15.269 2.600 1.00 0.00 C ATOM 1352 CG GLU A 87 -2.193 -15.960 1.251 1.00 0.00 C ATOM 1353 CD GLU A 87 -3.150 -15.378 0.231 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -4.348 -15.723 0.268 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -2.707 -14.578 -0.619 1.00 0.00 O ATOM 0 H GLU A 87 0.010 -14.352 2.211 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.660 -13.300 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.602 -15.755 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.293 -15.404 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.173 -15.878 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.402 -17.022 1.376 1.00 0.00 H new ATOM 1362 N ASP A 88 -3.310 -12.660 4.230 1.00 0.00 N ATOM 1363 CA ASP A 88 -3.569 -12.098 5.545 1.00 0.00 C ATOM 1364 C ASP A 88 -3.640 -13.214 6.568 1.00 0.00 C ATOM 1365 O ASP A 88 -4.201 -14.277 6.294 1.00 0.00 O ATOM 1366 CB ASP A 88 -4.866 -11.294 5.561 1.00 0.00 C ATOM 1367 CG ASP A 88 -4.859 -10.171 4.552 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -4.099 -9.199 4.738 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -5.624 -10.260 3.571 1.00 0.00 O ATOM 0 H ASP A 88 -4.099 -12.623 3.585 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.752 -11.420 5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.705 -11.959 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.023 -10.882 6.558 1.00 0.00 H new ATOM 1374 N LYS A 89 -3.063 -12.968 7.740 1.00 0.00 N ATOM 1375 CA LYS A 89 -2.982 -13.974 8.800 1.00 0.00 C ATOM 1376 C LYS A 89 -2.184 -15.190 8.317 1.00 0.00 C ATOM 1377 O LYS A 89 -2.436 -16.315 8.741 1.00 0.00 O ATOM 1378 CB LYS A 89 -4.380 -14.421 9.269 1.00 0.00 C ATOM 1379 CG LYS A 89 -5.256 -13.304 9.830 1.00 0.00 C ATOM 1380 CD LYS A 89 -6.130 -12.672 8.754 1.00 0.00 C ATOM 1381 CE LYS A 89 -7.089 -11.644 9.337 1.00 0.00 C ATOM 1382 NZ LYS A 89 -8.051 -11.125 8.321 1.00 0.00 N ATOM 0 H LYS A 89 -2.640 -12.072 7.983 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.472 -13.517 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.899 -14.883 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.263 -15.190 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.888 -13.702 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.624 -12.538 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.497 -12.195 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.697 -13.450 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.642 -12.094 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.519 -10.813 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.683 -10.428 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.526 -10.672 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.615 -11.913 7.943 1.00 0.00 H new ATOM 1396 N ALA A 90 -1.210 -14.941 7.438 1.00 0.00 N ATOM 1397 CA ALA A 90 -0.385 -16.003 6.864 1.00 0.00 C ATOM 1398 C ALA A 90 0.370 -16.779 7.937 1.00 0.00 C ATOM 1399 O ALA A 90 0.611 -17.978 7.793 1.00 0.00 O ATOM 1400 CB ALA A 90 0.596 -15.424 5.858 1.00 0.00 C ATOM 0 H ALA A 90 -0.974 -14.005 7.107 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.055 -16.698 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.203 -16.226 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.046 -14.929 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.243 -14.701 6.355 1.00 0.00 H new ATOM 1406 N GLU A 91 0.760 -16.092 9.000 1.00 0.00 N ATOM 1407 CA GLU A 91 1.432 -16.742 10.112 1.00 0.00 C ATOM 1408 C GLU A 91 0.421 -17.053 11.206 1.00 0.00 C ATOM 1409 O GLU A 91 0.044 -16.181 11.990 1.00 0.00 O ATOM 1410 CB GLU A 91 2.567 -15.870 10.654 1.00 0.00 C ATOM 1411 CG GLU A 91 3.609 -15.516 9.604 1.00 0.00 C ATOM 1412 CD GLU A 91 4.854 -14.892 10.200 1.00 0.00 C ATOM 1413 OE1 GLU A 91 4.860 -13.667 10.438 1.00 0.00 O ATOM 1414 OE2 GLU A 91 5.837 -15.629 10.428 1.00 0.00 O ATOM 0 H GLU A 91 0.623 -15.088 9.115 1.00 0.00 H new ATOM 0 HA GLU A 91 1.874 -17.674 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.146 -14.951 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.054 -16.391 11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.886 -16.416 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.172 -14.826 8.883 1.00 0.00 H new ATOM 1421 N ALA A 92 -0.029 -18.295 11.236 1.00 0.00 N ATOM 1422 CA ALA A 92 -1.075 -18.706 12.158 1.00 0.00 C ATOM 1423 C ALA A 92 -0.561 -19.751 13.138 1.00 0.00 C ATOM 1424 O ALA A 92 -0.013 -20.779 12.736 1.00 0.00 O ATOM 1425 CB ALA A 92 -2.275 -19.242 11.391 1.00 0.00 C ATOM 0 H ALA A 92 0.315 -19.040 10.630 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.386 -17.832 12.730 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.050 -19.546 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.665 -18.464 10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.971 -20.101 10.793 1.00 0.00 H new ATOM 1431 N PRO A 93 -0.719 -19.492 14.444 1.00 0.00 N ATOM 1432 CA PRO A 93 -0.316 -20.428 15.494 1.00 0.00 C ATOM 1433 C PRO A 93 -1.290 -21.598 15.639 1.00 0.00 C ATOM 1434 O PRO A 93 -2.374 -21.588 15.055 1.00 0.00 O ATOM 1435 CB PRO A 93 -0.324 -19.563 16.753 1.00 0.00 C ATOM 1436 CG PRO A 93 -1.342 -18.510 16.481 1.00 0.00 C ATOM 1437 CD PRO A 93 -1.294 -18.252 14.998 1.00 0.00 C ATOM 0 HA PRO A 93 0.648 -20.891 15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.586 -20.149 17.634 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.657 -19.127 16.940 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.335 -18.840 16.787 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.122 -17.601 17.041 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.287 -18.056 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.677 -17.385 14.762 1.00 0.00 H new ATOM 1445 N ASN A 94 -0.887 -22.594 16.427 1.00 0.00 N ATOM 1446 CA ASN A 94 -1.688 -23.798 16.663 1.00 0.00 C ATOM 1447 C ASN A 94 -2.023 -24.503 15.349 1.00 0.00 C ATOM 1448 O ASN A 94 -3.152 -24.440 14.855 1.00 0.00 O ATOM 1449 CB ASN A 94 -2.973 -23.467 17.436 1.00 0.00 C ATOM 1450 CG ASN A 94 -3.681 -24.707 17.956 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -3.402 -25.174 19.062 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -4.604 -25.242 17.174 1.00 0.00 N ATOM 0 H ASN A 94 0.005 -22.590 16.921 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.089 -24.475 17.272 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.730 -22.814 18.274 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.650 -22.913 16.786 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.114 -26.071 17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.806 -24.826 16.265 1.00 0.00 H new ATOM 1459 N THR A 95 -1.026 -25.151 14.770 1.00 0.00 N ATOM 1460 CA THR A 95 -1.210 -25.882 13.529 1.00 0.00 C ATOM 1461 C THR A 95 -1.103 -27.383 13.780 1.00 0.00 C ATOM 1462 O THR A 95 -0.419 -27.820 14.709 1.00 0.00 O ATOM 1463 CB THR A 95 -0.156 -25.468 12.488 1.00 0.00 C ATOM 1464 OG1 THR A 95 0.090 -24.057 12.585 1.00 0.00 O ATOM 1465 CG2 THR A 95 -0.616 -25.804 11.076 1.00 0.00 C ATOM 0 H THR A 95 -0.077 -25.185 15.142 1.00 0.00 H new ATOM 0 HA THR A 95 -2.202 -25.644 13.144 1.00 0.00 H new ATOM 0 HB THR A 95 0.760 -26.022 12.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.763 -23.796 11.922 1.00 0.00 H new ATOM 0 HG21 THR A 95 0.149 -25.500 10.362 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.783 -26.878 10.994 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.544 -25.275 10.860 1.00 0.00 H new ATOM 1473 N ILE A 96 -1.776 -28.168 12.959 1.00 0.00 N ATOM 1474 CA ILE A 96 -1.755 -29.614 13.101 1.00 0.00 C ATOM 1475 C ILE A 96 -1.376 -30.281 11.777 1.00 0.00 C ATOM 1476 O ILE A 96 -2.167 -30.339 10.835 1.00 0.00 O ATOM 1477 CB ILE A 96 -3.112 -30.158 13.628 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -3.115 -31.691 13.659 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -4.278 -29.632 12.803 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -2.099 -32.282 14.616 1.00 0.00 C ATOM 0 H ILE A 96 -2.346 -27.828 12.184 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.995 -29.862 13.842 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.237 -29.797 14.649 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.110 -32.038 13.939 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.917 -32.066 12.655 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.212 -30.031 13.198 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.298 -28.543 12.854 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.160 -29.944 11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.159 -33.370 14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.098 -31.965 14.325 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.309 -31.937 15.628 1.00 0.00 H new ATOM 1492 N ALA A 97 -0.143 -30.756 11.705 1.00 0.00 N ATOM 1493 CA ALA A 97 0.350 -31.421 10.509 1.00 0.00 C ATOM 1494 C ALA A 97 0.951 -32.774 10.863 1.00 0.00 C ATOM 1495 O ALA A 97 0.328 -33.815 10.656 1.00 0.00 O ATOM 1496 CB ALA A 97 1.371 -30.549 9.791 1.00 0.00 C ATOM 0 H ALA A 97 0.537 -30.693 12.463 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.490 -31.584 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.727 -31.065 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.906 -29.606 9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.212 -30.351 10.456 1.00 0.00 H new ATOM 1502 N SER A 98 2.153 -32.753 11.417 1.00 0.00 N ATOM 1503 CA SER A 98 2.815 -33.974 11.842 1.00 0.00 C ATOM 1504 C SER A 98 3.273 -33.852 13.288 1.00 0.00 C ATOM 1505 O SER A 98 4.217 -33.116 13.594 1.00 0.00 O ATOM 1506 CB SER A 98 4.006 -34.283 10.930 1.00 0.00 C ATOM 1507 OG SER A 98 3.580 -34.522 9.597 1.00 0.00 O ATOM 0 H SER A 98 2.690 -31.902 11.583 1.00 0.00 H new ATOM 0 HA SER A 98 2.103 -34.796 11.771 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.707 -33.449 10.947 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.540 -35.156 11.307 1.00 0.00 H new ATOM 0 HG SER A 98 4.359 -34.715 9.034 1.00 0.00 H new ATOM 1513 N GLY A 99 2.591 -34.564 14.178 1.00 0.00 N ATOM 1514 CA GLY A 99 2.946 -34.544 15.584 1.00 0.00 C ATOM 1515 C GLY A 99 4.147 -35.417 15.885 1.00 0.00 C ATOM 1516 O GLY A 99 4.081 -36.316 16.721 1.00 0.00 O ATOM 0 H GLY A 99 1.794 -35.158 13.949 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.159 -33.519 15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.096 -34.882 16.176 1.00 0.00 H new ATOM 1520 N SER A 100 5.237 -35.162 15.184 1.00 0.00 N ATOM 1521 CA SER A 100 6.467 -35.902 15.372 1.00 0.00 C ATOM 1522 C SER A 100 7.621 -34.929 15.584 1.00 0.00 C ATOM 1523 O SER A 100 7.988 -34.684 16.751 1.00 0.00 O ATOM 1524 CB SER A 100 6.730 -36.799 14.159 1.00 0.00 C ATOM 1525 OG SER A 100 5.632 -37.667 13.923 1.00 0.00 O ATOM 1526 OXT SER A 100 8.129 -34.377 14.586 1.00 0.00 O ATOM 0 H SER A 100 5.292 -34.436 14.469 1.00 0.00 H new ATOM 0 HA SER A 100 6.378 -36.537 16.254 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.907 -36.183 13.278 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.633 -37.386 14.325 1.00 0.00 H new ATOM 0 HG SER A 100 5.821 -38.229 13.143 1.00 0.00 H new TER 1532 SER A 100