USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 766 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 16 HIS : no HE2:sc= -2.09 K(o=-8,f=-15!) USER MOD Set 1.2: A 64 GLN : amide:sc= -5.95! C(o=-8!,f=-12!) USER MOD Set 2.1: A 8 MET CE :methyl 169:sc= -2.04 (180deg=-2.67) USER MOD Set 2.2: A 52 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.08 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 6 SER OG : rot 34:sc= 1.15 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.754 K(o=-0.75,f=-4.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 37 CYS SG : rot -35:sc= -2.69 USER MOD Single : A 38 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.69) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -3.04! (180deg=-3.2!) USER MOD Single : A 42 THR OG1 : rot 1:sc= -0.0267 USER MOD Single : A 43 THR OG1 : rot 67:sc= 1.18 USER MOD Single : A 44 TYR OH : rot 30:sc=-0.00107 USER MOD Single : A 46 SER OG : rot -34:sc= 1.16 USER MOD Single : A 49 MET CE :methyl 148:sc= -4.83 (180deg=-7.05!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.087) USER MOD Single : A 58 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 68 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.43) USER MOD Single : A 69 MET CE :methyl -161:sc= -2.44! (180deg=-3.69!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.043) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= -0.017 (180deg=-1.1) USER MOD Single : A 91 HIS : no HD1:sc= -0.714 X(o=-0.71,f=-1.2) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -51:sc= 0.422 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.940 12.767 10.322 1.00 0.00 N ATOM 2 CA GLY A 1 -1.017 13.802 9.894 1.00 0.00 C ATOM 3 C GLY A 1 -1.537 15.197 10.180 1.00 0.00 C ATOM 4 O GLY A 1 -1.511 16.067 9.310 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.539 11.832 10.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.099 12.846 11.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.845 12.880 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.061 13.663 10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.831 13.699 8.825 1.00 0.00 H new ATOM 8 N SER A 2 -2.012 15.411 11.403 1.00 0.00 N ATOM 9 CA SER A 2 -2.546 16.708 11.800 1.00 0.00 C ATOM 10 C SER A 2 -1.473 17.551 12.484 1.00 0.00 C ATOM 11 O SER A 2 -1.284 17.469 13.698 1.00 0.00 O ATOM 12 CB SER A 2 -3.742 16.527 12.737 1.00 0.00 C ATOM 13 OG SER A 2 -3.355 15.883 13.939 1.00 0.00 O ATOM 0 H SER A 2 -2.038 14.702 12.136 1.00 0.00 H new ATOM 0 HA SER A 2 -2.874 17.228 10.900 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.179 17.499 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.513 15.940 12.238 1.00 0.00 H new ATOM 0 HG SER A 2 -2.485 16.228 14.230 1.00 0.00 H new ATOM 19 N SER A 3 -0.773 18.360 11.696 1.00 0.00 N ATOM 20 CA SER A 3 0.283 19.216 12.223 1.00 0.00 C ATOM 21 C SER A 3 0.313 20.555 11.494 1.00 0.00 C ATOM 22 O SER A 3 0.334 20.605 10.265 1.00 0.00 O ATOM 23 CB SER A 3 1.641 18.522 12.095 1.00 0.00 C ATOM 24 OG SER A 3 2.579 19.066 13.007 1.00 0.00 O ATOM 0 H SER A 3 -0.918 18.441 10.690 1.00 0.00 H new ATOM 0 HA SER A 3 0.074 19.401 13.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.526 17.454 12.280 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.014 18.631 11.077 1.00 0.00 H new ATOM 0 HG SER A 3 3.438 18.605 12.907 1.00 0.00 H new ATOM 30 N GLY A 4 0.313 21.641 12.262 1.00 0.00 N ATOM 31 CA GLY A 4 0.340 22.967 11.673 1.00 0.00 C ATOM 32 C GLY A 4 -1.043 23.465 11.305 1.00 0.00 C ATOM 33 O GLY A 4 -1.915 22.680 10.933 1.00 0.00 O ATOM 0 H GLY A 4 0.295 21.626 13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.799 23.664 12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.967 22.953 10.781 1.00 0.00 H new ATOM 37 N SER A 5 -1.246 24.775 11.410 1.00 0.00 N ATOM 38 CA SER A 5 -2.535 25.377 11.091 1.00 0.00 C ATOM 39 C SER A 5 -2.789 25.351 9.587 1.00 0.00 C ATOM 40 O SER A 5 -3.857 24.939 9.134 1.00 0.00 O ATOM 41 CB SER A 5 -2.590 26.817 11.604 1.00 0.00 C ATOM 42 OG SER A 5 -1.551 27.599 11.042 1.00 0.00 O ATOM 0 H SER A 5 -0.534 25.439 11.714 1.00 0.00 H new ATOM 0 HA SER A 5 -3.313 24.793 11.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.556 27.258 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.506 26.823 12.691 1.00 0.00 H new ATOM 0 HG SER A 5 -1.609 28.515 11.385 1.00 0.00 H new ATOM 48 N SER A 6 -1.800 25.794 8.818 1.00 0.00 N ATOM 49 CA SER A 6 -1.916 25.826 7.365 1.00 0.00 C ATOM 50 C SER A 6 -0.988 24.799 6.723 1.00 0.00 C ATOM 51 O SER A 6 0.214 25.028 6.592 1.00 0.00 O ATOM 52 CB SER A 6 -1.591 27.225 6.837 1.00 0.00 C ATOM 53 OG SER A 6 -0.231 27.552 7.064 1.00 0.00 O ATOM 0 H SER A 6 -0.909 26.136 9.177 1.00 0.00 H new ATOM 0 HA SER A 6 -2.944 25.576 7.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.807 27.274 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.231 27.959 7.325 1.00 0.00 H new ATOM 0 HG SER A 6 0.316 26.742 6.995 1.00 0.00 H new ATOM 59 N GLY A 7 -1.556 23.665 6.324 1.00 0.00 N ATOM 60 CA GLY A 7 -0.766 22.620 5.700 1.00 0.00 C ATOM 61 C GLY A 7 -1.366 22.142 4.393 1.00 0.00 C ATOM 62 O GLY A 7 -2.524 22.430 4.091 1.00 0.00 O ATOM 0 H GLY A 7 -2.549 23.452 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.243 22.991 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.678 21.777 6.385 1.00 0.00 H new ATOM 66 N MET A 8 -0.576 21.410 3.614 1.00 0.00 N ATOM 67 CA MET A 8 -1.036 20.891 2.331 1.00 0.00 C ATOM 68 C MET A 8 -2.432 20.289 2.457 1.00 0.00 C ATOM 69 O MET A 8 -2.586 19.137 2.862 1.00 0.00 O ATOM 70 CB MET A 8 -0.060 19.839 1.802 1.00 0.00 C ATOM 71 CG MET A 8 -0.119 19.660 0.293 1.00 0.00 C ATOM 72 SD MET A 8 0.332 21.158 -0.603 1.00 0.00 S ATOM 73 CE MET A 8 1.620 20.534 -1.680 1.00 0.00 C ATOM 0 H MET A 8 0.385 21.163 3.849 1.00 0.00 H new ATOM 0 HA MET A 8 -1.080 21.722 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.954 20.120 2.087 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.273 18.884 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.551 18.851 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.127 19.359 0.006 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.864 21.287 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.508 20.306 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.272 19.628 -2.176 1.00 0.00 H new ATOM 83 N GLU A 9 -3.445 21.076 2.109 1.00 0.00 N ATOM 84 CA GLU A 9 -4.828 20.618 2.185 1.00 0.00 C ATOM 85 C GLU A 9 -5.368 20.283 0.798 1.00 0.00 C ATOM 86 O GLU A 9 -5.836 21.160 0.074 1.00 0.00 O ATOM 87 CB GLU A 9 -5.706 21.686 2.842 1.00 0.00 C ATOM 88 CG GLU A 9 -5.714 21.618 4.360 1.00 0.00 C ATOM 89 CD GLU A 9 -6.517 20.445 4.888 1.00 0.00 C ATOM 90 OE1 GLU A 9 -6.109 19.290 4.647 1.00 0.00 O ATOM 91 OE2 GLU A 9 -7.554 20.684 5.541 1.00 0.00 O ATOM 0 H GLU A 9 -3.335 22.032 1.772 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.851 19.713 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.358 22.671 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.727 21.580 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.689 21.544 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.126 22.545 4.759 1.00 0.00 H new ATOM 98 N GLY A 10 -5.297 19.006 0.435 1.00 0.00 N ATOM 99 CA GLY A 10 -5.781 18.576 -0.864 1.00 0.00 C ATOM 100 C GLY A 10 -5.286 17.194 -1.239 1.00 0.00 C ATOM 101 O GLY A 10 -6.049 16.228 -1.280 1.00 0.00 O ATOM 0 H GLY A 10 -4.913 18.262 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.871 18.580 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.462 19.291 -1.622 1.00 0.00 H new ATOM 105 N PRO A 11 -3.980 17.085 -1.523 1.00 0.00 N ATOM 106 CA PRO A 11 -3.355 15.814 -1.903 1.00 0.00 C ATOM 107 C PRO A 11 -3.284 14.833 -0.738 1.00 0.00 C ATOM 108 O PRO A 11 -3.140 13.626 -0.938 1.00 0.00 O ATOM 109 CB PRO A 11 -1.948 16.228 -2.341 1.00 0.00 C ATOM 110 CG PRO A 11 -1.683 17.500 -1.612 1.00 0.00 C ATOM 111 CD PRO A 11 -3.012 18.194 -1.495 1.00 0.00 C ATOM 0 HA PRO A 11 -3.921 15.296 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.213 15.465 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.896 16.372 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.257 17.304 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.966 18.118 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.085 18.768 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.175 18.891 -2.317 1.00 0.00 H new ATOM 119 N LEU A 12 -3.386 15.357 0.478 1.00 0.00 N ATOM 120 CA LEU A 12 -3.333 14.525 1.676 1.00 0.00 C ATOM 121 C LEU A 12 -4.536 13.589 1.742 1.00 0.00 C ATOM 122 O LEU A 12 -4.382 12.371 1.815 1.00 0.00 O ATOM 123 CB LEU A 12 -3.287 15.403 2.928 1.00 0.00 C ATOM 124 CG LEU A 12 -1.897 15.848 3.385 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.005 16.873 4.503 1.00 0.00 C ATOM 126 CD2 LEU A 12 -1.075 14.649 3.835 1.00 0.00 C ATOM 0 H LEU A 12 -3.506 16.353 0.661 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.427 13.920 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.890 16.293 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.760 14.860 3.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.390 16.315 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.006 17.178 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.555 17.744 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.531 16.433 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.089 14.984 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.579 14.153 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.968 13.950 3.006 1.00 0.00 H new ATOM 138 N ASN A 13 -5.732 14.167 1.714 1.00 0.00 N ATOM 139 CA ASN A 13 -6.961 13.384 1.769 1.00 0.00 C ATOM 140 C ASN A 13 -7.156 12.587 0.483 1.00 0.00 C ATOM 141 O ASN A 13 -7.907 11.611 0.452 1.00 0.00 O ATOM 142 CB ASN A 13 -8.164 14.300 2.002 1.00 0.00 C ATOM 143 CG ASN A 13 -9.376 13.545 2.513 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.230 13.120 1.735 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.455 13.374 3.828 1.00 0.00 N ATOM 0 H ASN A 13 -5.876 15.175 1.654 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.880 12.684 2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.893 15.075 2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.420 14.804 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.247 12.873 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.724 13.744 4.435 1.00 0.00 H new ATOM 152 N LEU A 14 -6.475 13.009 -0.577 1.00 0.00 N ATOM 153 CA LEU A 14 -6.573 12.335 -1.867 1.00 0.00 C ATOM 154 C LEU A 14 -5.817 11.010 -1.847 1.00 0.00 C ATOM 155 O LEU A 14 -6.350 9.974 -2.246 1.00 0.00 O ATOM 156 CB LEU A 14 -6.022 13.232 -2.977 1.00 0.00 C ATOM 157 CG LEU A 14 -7.023 14.190 -3.624 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.324 15.097 -4.625 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.145 13.413 -4.298 1.00 0.00 C ATOM 0 H LEU A 14 -5.849 13.814 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.625 12.130 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.200 13.819 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.602 12.596 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.458 14.813 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.052 15.772 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.557 15.679 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.861 14.491 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.848 14.110 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.727 12.765 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.664 12.807 -3.556 1.00 0.00 H new ATOM 171 N ALA A 15 -4.574 11.050 -1.378 1.00 0.00 N ATOM 172 CA ALA A 15 -3.747 9.852 -1.302 1.00 0.00 C ATOM 173 C ALA A 15 -4.320 8.852 -0.304 1.00 0.00 C ATOM 174 O ALA A 15 -3.883 7.703 -0.241 1.00 0.00 O ATOM 175 CB ALA A 15 -2.320 10.219 -0.924 1.00 0.00 C ATOM 0 H ALA A 15 -4.118 11.899 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.741 9.382 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.714 9.315 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.906 10.890 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.317 10.715 0.046 1.00 0.00 H new ATOM 181 N HIS A 16 -5.302 9.296 0.475 1.00 0.00 N ATOM 182 CA HIS A 16 -5.935 8.439 1.471 1.00 0.00 C ATOM 183 C HIS A 16 -6.883 7.445 0.808 1.00 0.00 C ATOM 184 O HIS A 16 -7.062 6.327 1.291 1.00 0.00 O ATOM 185 CB HIS A 16 -6.696 9.284 2.492 1.00 0.00 C ATOM 186 CG HIS A 16 -5.804 10.067 3.406 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.254 11.115 4.180 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.482 9.947 3.669 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.246 11.608 4.878 1.00 0.00 C ATOM 190 NE2 HIS A 16 -4.160 10.916 4.587 1.00 0.00 N ATOM 0 H HIS A 16 -5.676 10.244 0.435 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.152 7.881 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.354 9.973 1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.332 8.631 3.090 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.215 11.457 4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.806 9.224 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.301 12.436 5.569 1.00 0.00 H new ATOM 199 N GLN A 17 -7.488 7.860 -0.301 1.00 0.00 N ATOM 200 CA GLN A 17 -8.419 7.005 -1.028 1.00 0.00 C ATOM 201 C GLN A 17 -7.754 5.692 -1.427 1.00 0.00 C ATOM 202 O GLN A 17 -8.418 4.663 -1.552 1.00 0.00 O ATOM 203 CB GLN A 17 -8.939 7.726 -2.273 1.00 0.00 C ATOM 204 CG GLN A 17 -8.012 7.614 -3.473 1.00 0.00 C ATOM 205 CD GLN A 17 -8.637 8.150 -4.745 1.00 0.00 C ATOM 206 OE1 GLN A 17 -8.911 7.399 -5.682 1.00 0.00 O ATOM 207 NE2 GLN A 17 -8.867 9.458 -4.787 1.00 0.00 N ATOM 0 H GLN A 17 -7.350 8.782 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.258 6.780 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.914 7.318 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.088 8.780 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.091 8.159 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.738 6.569 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.625 10.044 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.286 9.876 -5.618 1.00 0.00 H new ATOM 216 N GLN A 18 -6.441 5.735 -1.625 1.00 0.00 N ATOM 217 CA GLN A 18 -5.687 4.548 -2.011 1.00 0.00 C ATOM 218 C GLN A 18 -5.203 3.787 -0.781 1.00 0.00 C ATOM 219 O GLN A 18 -5.423 2.582 -0.658 1.00 0.00 O ATOM 220 CB GLN A 18 -4.495 4.937 -2.887 1.00 0.00 C ATOM 221 CG GLN A 18 -4.893 5.493 -4.245 1.00 0.00 C ATOM 222 CD GLN A 18 -5.826 4.570 -5.002 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.041 4.595 -4.801 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.263 3.748 -5.880 1.00 0.00 N ATOM 0 H GLN A 18 -5.877 6.579 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.350 3.897 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.896 5.680 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.862 4.062 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.376 6.461 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.996 5.665 -4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.252 3.761 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.842 3.104 -6.419 1.00 0.00 H new ATOM 233 N SER A 19 -4.542 4.498 0.126 1.00 0.00 N ATOM 234 CA SER A 19 -4.023 3.889 1.345 1.00 0.00 C ATOM 235 C SER A 19 -4.994 2.844 1.886 1.00 0.00 C ATOM 236 O SER A 19 -4.619 1.695 2.120 1.00 0.00 O ATOM 237 CB SER A 19 -3.765 4.960 2.407 1.00 0.00 C ATOM 238 OG SER A 19 -3.311 4.380 3.617 1.00 0.00 O ATOM 0 H SER A 19 -4.353 5.497 0.040 1.00 0.00 H new ATOM 0 HA SER A 19 -3.082 3.395 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.024 5.669 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.681 5.522 2.591 1.00 0.00 H new ATOM 0 HG SER A 19 -3.152 5.085 4.278 1.00 0.00 H new ATOM 244 N ARG A 20 -6.244 3.252 2.082 1.00 0.00 N ATOM 245 CA ARG A 20 -7.269 2.352 2.597 1.00 0.00 C ATOM 246 C ARG A 20 -7.294 1.047 1.807 1.00 0.00 C ATOM 247 O ARG A 20 -7.246 -0.040 2.383 1.00 0.00 O ATOM 248 CB ARG A 20 -8.643 3.023 2.537 1.00 0.00 C ATOM 249 CG ARG A 20 -8.958 3.646 1.187 1.00 0.00 C ATOM 250 CD ARG A 20 -10.215 4.499 1.247 1.00 0.00 C ATOM 251 NE ARG A 20 -11.429 3.695 1.125 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.796 3.085 0.004 1.00 0.00 C ATOM 253 NH1 ARG A 20 -11.047 3.186 -1.086 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.914 2.371 -0.029 1.00 0.00 N ATOM 0 H ARG A 20 -6.571 4.199 1.892 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.028 2.123 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.409 2.285 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.695 3.795 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.117 4.258 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.086 2.860 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.236 5.047 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.189 5.240 0.448 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.027 3.597 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.187 3.733 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.331 2.716 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.492 2.290 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.195 1.903 -0.891 1.00 0.00 H new ATOM 268 N ARG A 21 -7.370 1.163 0.485 1.00 0.00 N ATOM 269 CA ARG A 21 -7.403 -0.007 -0.384 1.00 0.00 C ATOM 270 C ARG A 21 -6.307 -0.998 -0.003 1.00 0.00 C ATOM 271 O ARG A 21 -6.584 -2.156 0.308 1.00 0.00 O ATOM 272 CB ARG A 21 -7.240 0.412 -1.846 1.00 0.00 C ATOM 273 CG ARG A 21 -7.049 -0.757 -2.798 1.00 0.00 C ATOM 274 CD ARG A 21 -7.330 -0.356 -4.237 1.00 0.00 C ATOM 275 NE ARG A 21 -7.519 -1.518 -5.102 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.855 -1.432 -6.385 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.037 -0.246 -6.948 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.009 -2.535 -7.106 1.00 0.00 N ATOM 0 H ARG A 21 -7.410 2.055 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.370 -0.494 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.119 0.979 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.384 1.081 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.028 -1.131 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.712 -1.573 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.221 0.270 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.503 0.246 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.386 -2.446 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.919 0.604 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.295 -0.183 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.870 -3.449 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.267 -2.469 -8.091 1.00 0.00 H new ATOM 292 N ALA A 22 -5.061 -0.534 -0.031 1.00 0.00 N ATOM 293 CA ALA A 22 -3.924 -1.379 0.312 1.00 0.00 C ATOM 294 C ALA A 22 -4.165 -2.118 1.624 1.00 0.00 C ATOM 295 O ALA A 22 -4.029 -3.340 1.693 1.00 0.00 O ATOM 296 CB ALA A 22 -2.655 -0.545 0.399 1.00 0.00 C ATOM 0 H ALA A 22 -4.814 0.422 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.804 -2.122 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.814 -1.189 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.467 -0.068 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.774 0.220 1.166 1.00 0.00 H new ATOM 302 N ASP A 23 -4.524 -1.370 2.661 1.00 0.00 N ATOM 303 CA ASP A 23 -4.784 -1.955 3.972 1.00 0.00 C ATOM 304 C ASP A 23 -5.839 -3.053 3.877 1.00 0.00 C ATOM 305 O ASP A 23 -5.572 -4.213 4.189 1.00 0.00 O ATOM 306 CB ASP A 23 -5.241 -0.875 4.954 1.00 0.00 C ATOM 307 CG ASP A 23 -4.080 -0.227 5.682 1.00 0.00 C ATOM 308 OD1 ASP A 23 -2.999 -0.090 5.073 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.253 0.144 6.862 1.00 0.00 O ATOM 0 H ASP A 23 -4.642 -0.358 2.620 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.857 -2.397 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.800 -0.111 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.923 -1.315 5.682 1.00 0.00 H new ATOM 314 N ARG A 24 -7.039 -2.677 3.445 1.00 0.00 N ATOM 315 CA ARG A 24 -8.135 -3.630 3.311 1.00 0.00 C ATOM 316 C ARG A 24 -7.711 -4.832 2.472 1.00 0.00 C ATOM 317 O ARG A 24 -8.200 -5.945 2.672 1.00 0.00 O ATOM 318 CB ARG A 24 -9.351 -2.954 2.676 1.00 0.00 C ATOM 319 CG ARG A 24 -10.198 -2.170 3.665 1.00 0.00 C ATOM 320 CD ARG A 24 -11.263 -3.048 4.305 1.00 0.00 C ATOM 321 NE ARG A 24 -12.218 -2.268 5.087 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.318 -2.781 5.627 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.600 -4.067 5.470 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.138 -2.007 6.326 1.00 0.00 N ATOM 0 H ARG A 24 -7.277 -1.721 3.182 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.402 -3.981 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.012 -2.282 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.972 -3.714 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.558 -1.749 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.674 -1.333 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.794 -3.598 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.785 -3.787 4.949 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.030 -1.275 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.972 -4.665 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.445 -4.458 5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.924 -1.017 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.982 -2.402 6.740 1.00 0.00 H new ATOM 338 N LEU A 25 -6.801 -4.600 1.533 1.00 0.00 N ATOM 339 CA LEU A 25 -6.312 -5.663 0.662 1.00 0.00 C ATOM 340 C LEU A 25 -5.386 -6.607 1.423 1.00 0.00 C ATOM 341 O LEU A 25 -5.515 -7.828 1.331 1.00 0.00 O ATOM 342 CB LEU A 25 -5.576 -5.067 -0.539 1.00 0.00 C ATOM 343 CG LEU A 25 -6.451 -4.639 -1.718 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.656 -3.783 -2.691 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.028 -5.858 -2.424 1.00 0.00 C ATOM 0 H LEU A 25 -6.387 -3.685 1.355 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.171 -6.233 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.010 -4.200 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.853 -5.800 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.278 -4.041 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.296 -3.488 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.293 -2.892 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.808 -4.354 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.648 -5.535 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.215 -6.482 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.635 -6.431 -1.723 1.00 0.00 H new ATOM 357 N LEU A 26 -4.454 -6.033 2.176 1.00 0.00 N ATOM 358 CA LEU A 26 -3.508 -6.823 2.956 1.00 0.00 C ATOM 359 C LEU A 26 -4.238 -7.803 3.868 1.00 0.00 C ATOM 360 O LEU A 26 -3.907 -8.988 3.915 1.00 0.00 O ATOM 361 CB LEU A 26 -2.611 -5.905 3.788 1.00 0.00 C ATOM 362 CG LEU A 26 -1.853 -6.569 4.938 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.068 -7.771 4.437 1.00 0.00 C ATOM 364 CD2 LEU A 26 -0.927 -5.569 5.615 1.00 0.00 C ATOM 0 H LEU A 26 -4.333 -5.024 2.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.890 -7.393 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.885 -5.439 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.226 -5.105 4.199 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.579 -6.916 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.535 -8.230 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.754 -8.497 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.352 -7.448 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.396 -6.059 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.207 -5.190 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.514 -4.740 6.011 1.00 0.00 H new ATOM 376 N ALA A 27 -5.234 -7.301 4.591 1.00 0.00 N ATOM 377 CA ALA A 27 -6.014 -8.133 5.498 1.00 0.00 C ATOM 378 C ALA A 27 -6.639 -9.313 4.762 1.00 0.00 C ATOM 379 O ALA A 27 -6.739 -10.413 5.304 1.00 0.00 O ATOM 380 CB ALA A 27 -7.092 -7.303 6.180 1.00 0.00 C ATOM 0 H ALA A 27 -5.519 -6.322 4.566 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.340 -8.529 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.667 -7.937 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.626 -6.498 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.756 -6.879 5.427 1.00 0.00 H new ATOM 386 N ALA A 28 -7.058 -9.076 3.523 1.00 0.00 N ATOM 387 CA ALA A 28 -7.673 -10.120 2.712 1.00 0.00 C ATOM 388 C ALA A 28 -6.614 -10.978 2.027 1.00 0.00 C ATOM 389 O ALA A 28 -6.898 -11.669 1.050 1.00 0.00 O ATOM 390 CB ALA A 28 -8.605 -9.505 1.679 1.00 0.00 C ATOM 0 H ALA A 28 -6.983 -8.171 3.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.254 -10.764 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.057 -10.296 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.388 -8.940 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.039 -8.837 1.030 1.00 0.00 H new ATOM 396 N GLY A 29 -5.391 -10.927 2.547 1.00 0.00 N ATOM 397 CA GLY A 29 -4.308 -11.703 1.973 1.00 0.00 C ATOM 398 C GLY A 29 -3.773 -11.093 0.692 1.00 0.00 C ATOM 399 O GLY A 29 -2.744 -11.525 0.172 1.00 0.00 O ATOM 0 H GLY A 29 -5.132 -10.362 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.499 -11.784 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.658 -12.715 1.771 1.00 0.00 H new ATOM 403 N LYS A 30 -4.474 -10.087 0.180 1.00 0.00 N ATOM 404 CA LYS A 30 -4.065 -9.416 -1.048 1.00 0.00 C ATOM 405 C LYS A 30 -2.827 -8.556 -0.812 1.00 0.00 C ATOM 406 O LYS A 30 -2.935 -7.373 -0.486 1.00 0.00 O ATOM 407 CB LYS A 30 -5.206 -8.550 -1.585 1.00 0.00 C ATOM 408 CG LYS A 30 -6.508 -9.309 -1.774 1.00 0.00 C ATOM 409 CD LYS A 30 -6.585 -9.951 -3.149 1.00 0.00 C ATOM 410 CE LYS A 30 -8.020 -10.284 -3.529 1.00 0.00 C ATOM 411 NZ LYS A 30 -8.410 -11.648 -3.078 1.00 0.00 N ATOM 0 H LYS A 30 -5.329 -9.718 0.597 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.820 -10.180 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.375 -7.720 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.905 -8.118 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.596 -10.078 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.349 -8.629 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.158 -9.276 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.984 -10.860 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.693 -9.549 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.135 -10.212 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.394 -11.837 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.784 -12.352 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.324 -11.709 -2.043 1.00 0.00 H new ATOM 425 N TYR A 31 -1.654 -9.156 -0.979 1.00 0.00 N ATOM 426 CA TYR A 31 -0.397 -8.444 -0.783 1.00 0.00 C ATOM 427 C TYR A 31 0.039 -7.745 -2.067 1.00 0.00 C ATOM 428 O TYR A 31 0.103 -6.517 -2.126 1.00 0.00 O ATOM 429 CB TYR A 31 0.694 -9.411 -0.320 1.00 0.00 C ATOM 430 CG TYR A 31 0.272 -10.292 0.835 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.207 -9.789 2.129 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.060 -11.625 0.633 1.00 0.00 C ATOM 433 CE1 TYR A 31 -0.177 -10.590 3.187 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.446 -12.433 1.685 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.503 -11.911 2.960 1.00 0.00 C ATOM 436 OH TYR A 31 -0.886 -12.712 4.011 1.00 0.00 O ATOM 0 H TYR A 31 -1.547 -10.134 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.553 -7.688 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.988 -10.042 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.574 -8.839 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.461 -8.755 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.016 -12.037 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.222 -10.184 4.187 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.702 -13.468 1.510 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.082 -13.614 3.681 1.00 0.00 H new ATOM 446 N GLU A 32 0.338 -8.536 -3.092 1.00 0.00 N ATOM 447 CA GLU A 32 0.769 -7.994 -4.375 1.00 0.00 C ATOM 448 C GLU A 32 -0.181 -6.897 -4.848 1.00 0.00 C ATOM 449 O GLU A 32 0.236 -5.938 -5.496 1.00 0.00 O ATOM 450 CB GLU A 32 0.845 -9.105 -5.424 1.00 0.00 C ATOM 451 CG GLU A 32 1.619 -8.712 -6.671 1.00 0.00 C ATOM 452 CD GLU A 32 1.162 -9.469 -7.903 1.00 0.00 C ATOM 453 OE1 GLU A 32 0.852 -10.672 -7.781 1.00 0.00 O ATOM 454 OE2 GLU A 32 1.115 -8.856 -8.991 1.00 0.00 O ATOM 0 H GLU A 32 0.290 -9.554 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 32 1.761 -7.561 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.312 -9.983 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.167 -9.393 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.504 -7.642 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.681 -8.897 -6.509 1.00 0.00 H new ATOM 461 N GLU A 33 -1.461 -7.049 -4.520 1.00 0.00 N ATOM 462 CA GLU A 33 -2.470 -6.072 -4.913 1.00 0.00 C ATOM 463 C GLU A 33 -2.304 -4.773 -4.129 1.00 0.00 C ATOM 464 O GLU A 33 -2.375 -3.682 -4.694 1.00 0.00 O ATOM 465 CB GLU A 33 -3.874 -6.639 -4.690 1.00 0.00 C ATOM 466 CG GLU A 33 -4.076 -8.018 -5.295 1.00 0.00 C ATOM 467 CD GLU A 33 -3.759 -9.135 -4.320 1.00 0.00 C ATOM 468 OE1 GLU A 33 -3.010 -8.882 -3.353 1.00 0.00 O ATOM 469 OE2 GLU A 33 -4.258 -10.261 -4.524 1.00 0.00 O ATOM 0 H GLU A 33 -1.823 -7.838 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.337 -5.856 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.071 -6.689 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.606 -5.953 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.108 -8.116 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.443 -8.120 -6.177 1.00 0.00 H new ATOM 476 N ALA A 34 -2.083 -4.900 -2.825 1.00 0.00 N ATOM 477 CA ALA A 34 -1.906 -3.737 -1.964 1.00 0.00 C ATOM 478 C ALA A 34 -0.579 -3.040 -2.249 1.00 0.00 C ATOM 479 O ALA A 34 -0.478 -1.817 -2.154 1.00 0.00 O ATOM 480 CB ALA A 34 -1.985 -4.147 -0.501 1.00 0.00 C ATOM 0 H ALA A 34 -2.022 -5.796 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.710 -3.032 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.851 -3.269 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.959 -4.593 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.202 -4.873 -0.284 1.00 0.00 H new ATOM 486 N ILE A 35 0.434 -3.826 -2.596 1.00 0.00 N ATOM 487 CA ILE A 35 1.754 -3.284 -2.895 1.00 0.00 C ATOM 488 C ILE A 35 1.672 -2.193 -3.957 1.00 0.00 C ATOM 489 O ILE A 35 2.016 -1.039 -3.704 1.00 0.00 O ATOM 490 CB ILE A 35 2.718 -4.384 -3.377 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.169 -5.249 -2.198 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.919 -3.765 -4.076 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.791 -6.563 -2.617 1.00 0.00 C ATOM 0 H ILE A 35 0.366 -4.841 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 35 2.138 -2.857 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 35 2.194 -5.020 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.889 -4.689 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.311 -5.450 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.592 -4.554 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.581 -3.187 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.446 -3.110 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.087 -7.124 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.066 -7.143 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.668 -6.370 -3.234 1.00 0.00 H new ATOM 505 N SER A 36 1.212 -2.567 -5.147 1.00 0.00 N ATOM 506 CA SER A 36 1.087 -1.621 -6.250 1.00 0.00 C ATOM 507 C SER A 36 0.192 -0.449 -5.861 1.00 0.00 C ATOM 508 O SER A 36 0.495 0.706 -6.164 1.00 0.00 O ATOM 509 CB SER A 36 0.522 -2.320 -7.488 1.00 0.00 C ATOM 510 OG SER A 36 0.962 -3.665 -7.559 1.00 0.00 O ATOM 0 H SER A 36 0.920 -3.518 -5.372 1.00 0.00 H new ATOM 0 HA SER A 36 2.080 -1.236 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.567 -2.291 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.832 -1.785 -8.385 1.00 0.00 H new ATOM 0 HG SER A 36 0.586 -4.090 -8.358 1.00 0.00 H new ATOM 516 N CYS A 37 -0.912 -0.754 -5.187 1.00 0.00 N ATOM 517 CA CYS A 37 -1.853 0.274 -4.756 1.00 0.00 C ATOM 518 C CYS A 37 -1.134 1.389 -4.004 1.00 0.00 C ATOM 519 O CYS A 37 -1.646 2.502 -3.883 1.00 0.00 O ATOM 520 CB CYS A 37 -2.938 -0.338 -3.869 1.00 0.00 C ATOM 521 SG CYS A 37 -4.195 0.840 -3.321 1.00 0.00 S ATOM 0 H CYS A 37 -1.177 -1.704 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.318 0.701 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.426 -1.146 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.467 -0.784 -2.993 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.646 2.003 -3.129 1.00 0.00 H new ATOM 527 N HIS A 38 0.057 1.082 -3.497 1.00 0.00 N ATOM 528 CA HIS A 38 0.846 2.058 -2.755 1.00 0.00 C ATOM 529 C HIS A 38 1.764 2.839 -3.691 1.00 0.00 C ATOM 530 O HIS A 38 1.769 4.071 -3.686 1.00 0.00 O ATOM 531 CB HIS A 38 1.674 1.361 -1.675 1.00 0.00 C ATOM 532 CG HIS A 38 0.967 1.244 -0.360 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.133 2.224 0.135 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.972 0.254 0.563 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.344 1.843 1.307 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.150 0.650 1.589 1.00 0.00 N ATOM 0 H HIS A 38 0.496 0.166 -3.587 1.00 0.00 H new ATOM 0 HA HIS A 38 0.159 2.758 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.944 0.364 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.604 1.911 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.520 -0.674 0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.022 2.410 1.928 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.047 0.111 2.432 1.00 0.00 H new ATOM 545 N ARG A 39 2.539 2.116 -4.492 1.00 0.00 N ATOM 546 CA ARG A 39 3.462 2.741 -5.431 1.00 0.00 C ATOM 547 C ARG A 39 2.773 3.860 -6.207 1.00 0.00 C ATOM 548 O ARG A 39 3.396 4.862 -6.558 1.00 0.00 O ATOM 549 CB ARG A 39 4.018 1.699 -6.404 1.00 0.00 C ATOM 550 CG ARG A 39 4.728 0.544 -5.717 1.00 0.00 C ATOM 551 CD ARG A 39 5.209 -0.491 -6.723 1.00 0.00 C ATOM 552 NE ARG A 39 4.197 -0.782 -7.735 1.00 0.00 N ATOM 553 CZ ARG A 39 4.052 -0.080 -8.853 1.00 0.00 C ATOM 554 NH1 ARG A 39 4.850 0.949 -9.101 1.00 0.00 N ATOM 555 NH2 ARG A 39 3.108 -0.407 -9.726 1.00 0.00 N ATOM 0 H ARG A 39 2.546 1.096 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 39 4.285 3.171 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.200 1.305 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.713 2.187 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.577 0.924 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.052 0.073 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.115 -0.130 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.473 -1.410 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 39 3.567 -1.568 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.577 1.203 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.737 1.487 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.492 -1.198 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.998 0.133 -10.584 1.00 0.00 H new ATOM 569 N LYS A 40 1.483 3.681 -6.473 1.00 0.00 N ATOM 570 CA LYS A 40 0.708 4.674 -7.206 1.00 0.00 C ATOM 571 C LYS A 40 0.507 5.934 -6.370 1.00 0.00 C ATOM 572 O LYS A 40 0.775 7.044 -6.828 1.00 0.00 O ATOM 573 CB LYS A 40 -0.650 4.095 -7.609 1.00 0.00 C ATOM 574 CG LYS A 40 -0.574 3.116 -8.768 1.00 0.00 C ATOM 575 CD LYS A 40 -1.736 2.137 -8.748 1.00 0.00 C ATOM 576 CE LYS A 40 -1.450 0.915 -9.607 1.00 0.00 C ATOM 577 NZ LYS A 40 -0.618 -0.087 -8.886 1.00 0.00 N ATOM 0 H LYS A 40 0.953 2.857 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 40 1.264 4.941 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.091 3.593 -6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.319 4.913 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.576 3.665 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.366 2.567 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.932 1.824 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.637 2.633 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.391 0.456 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.938 1.224 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.374 -0.865 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.254 0.366 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.152 -0.463 -8.077 1.00 0.00 H new ATOM 591 N ALA A 41 0.035 5.754 -5.141 1.00 0.00 N ATOM 592 CA ALA A 41 -0.198 6.875 -4.240 1.00 0.00 C ATOM 593 C ALA A 41 1.084 7.667 -4.006 1.00 0.00 C ATOM 594 O ALA A 41 1.100 8.893 -4.124 1.00 0.00 O ATOM 595 CB ALA A 41 -0.764 6.381 -2.917 1.00 0.00 C ATOM 0 H ALA A 41 -0.194 4.842 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.925 7.539 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.933 7.230 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.708 5.866 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.057 5.693 -2.453 1.00 0.00 H new ATOM 601 N THR A 42 2.159 6.959 -3.673 1.00 0.00 N ATOM 602 CA THR A 42 3.445 7.596 -3.421 1.00 0.00 C ATOM 603 C THR A 42 3.852 8.493 -4.584 1.00 0.00 C ATOM 604 O THR A 42 4.323 9.614 -4.383 1.00 0.00 O ATOM 605 CB THR A 42 4.552 6.552 -3.182 1.00 0.00 C ATOM 606 OG1 THR A 42 4.500 5.542 -4.196 1.00 0.00 O ATOM 607 CG2 THR A 42 4.402 5.909 -1.811 1.00 0.00 C ATOM 0 H THR A 42 2.164 5.944 -3.572 1.00 0.00 H new ATOM 0 HA THR A 42 3.326 8.202 -2.523 1.00 0.00 H new ATOM 0 HB THR A 42 5.515 7.060 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.782 5.751 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.195 5.175 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.471 6.676 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.433 5.414 -1.745 1.00 0.00 H new ATOM 615 N THR A 43 3.668 7.995 -5.803 1.00 0.00 N ATOM 616 CA THR A 43 4.016 8.751 -6.999 1.00 0.00 C ATOM 617 C THR A 43 3.288 10.090 -7.034 1.00 0.00 C ATOM 618 O THR A 43 3.908 11.141 -7.199 1.00 0.00 O ATOM 619 CB THR A 43 3.682 7.963 -8.279 1.00 0.00 C ATOM 620 OG1 THR A 43 4.274 6.661 -8.222 1.00 0.00 O ATOM 621 CG2 THR A 43 4.181 8.699 -9.514 1.00 0.00 C ATOM 0 H THR A 43 3.279 7.070 -5.987 1.00 0.00 H new ATOM 0 HA THR A 43 5.091 8.926 -6.960 1.00 0.00 H new ATOM 0 HB THR A 43 2.598 7.866 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.850 6.140 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.933 8.123 -10.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.705 9.678 -9.571 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.262 8.824 -9.451 1.00 0.00 H new ATOM 629 N TYR A 44 1.969 10.045 -6.878 1.00 0.00 N ATOM 630 CA TYR A 44 1.156 11.254 -6.895 1.00 0.00 C ATOM 631 C TYR A 44 1.665 12.267 -5.873 1.00 0.00 C ATOM 632 O TYR A 44 1.829 13.448 -6.180 1.00 0.00 O ATOM 633 CB TYR A 44 -0.307 10.914 -6.606 1.00 0.00 C ATOM 634 CG TYR A 44 -1.205 12.128 -6.516 1.00 0.00 C ATOM 635 CD1 TYR A 44 -1.007 13.226 -7.345 1.00 0.00 C ATOM 636 CD2 TYR A 44 -2.249 12.178 -5.601 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.824 14.337 -7.265 1.00 0.00 C ATOM 638 CE2 TYR A 44 -3.072 13.284 -5.516 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.855 14.361 -6.350 1.00 0.00 C ATOM 640 OH TYR A 44 -3.671 15.466 -6.267 1.00 0.00 O ATOM 0 H TYR A 44 1.441 9.184 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 44 1.230 11.697 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.680 10.254 -7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.364 10.360 -5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.201 13.210 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.420 11.338 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.656 15.182 -7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.881 13.305 -4.801 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.730 15.896 -7.146 1.00 0.00 H new ATOM 650 N LEU A 45 1.914 11.795 -4.656 1.00 0.00 N ATOM 651 CA LEU A 45 2.406 12.658 -3.587 1.00 0.00 C ATOM 652 C LEU A 45 3.765 13.249 -3.947 1.00 0.00 C ATOM 653 O LEU A 45 3.954 14.465 -3.907 1.00 0.00 O ATOM 654 CB LEU A 45 2.508 11.873 -2.278 1.00 0.00 C ATOM 655 CG LEU A 45 1.184 11.422 -1.661 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.429 10.410 -0.552 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.408 12.619 -1.131 1.00 0.00 C ATOM 0 H LEU A 45 1.783 10.820 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 45 1.698 13.476 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.123 10.990 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.035 12.488 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 45 0.588 10.942 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.475 10.100 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.943 9.540 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.045 10.863 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.532 12.279 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.999 13.127 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.200 13.309 -1.949 1.00 0.00 H new ATOM 669 N SER A 46 4.708 12.381 -4.299 1.00 0.00 N ATOM 670 CA SER A 46 6.051 12.818 -4.664 1.00 0.00 C ATOM 671 C SER A 46 5.997 13.898 -5.740 1.00 0.00 C ATOM 672 O SER A 46 6.892 14.738 -5.836 1.00 0.00 O ATOM 673 CB SER A 46 6.879 11.630 -5.159 1.00 0.00 C ATOM 674 OG SER A 46 6.463 11.221 -6.450 1.00 0.00 O ATOM 0 H SER A 46 4.567 11.372 -4.339 1.00 0.00 H new ATOM 0 HA SER A 46 6.524 13.238 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.934 11.903 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.781 10.798 -4.461 1.00 0.00 H new ATOM 0 HG SER A 46 5.497 11.357 -6.541 1.00 0.00 H new ATOM 680 N GLU A 47 4.941 13.869 -6.546 1.00 0.00 N ATOM 681 CA GLU A 47 4.771 14.846 -7.616 1.00 0.00 C ATOM 682 C GLU A 47 4.370 16.206 -7.052 1.00 0.00 C ATOM 683 O GLU A 47 4.790 17.247 -7.557 1.00 0.00 O ATOM 684 CB GLU A 47 3.715 14.364 -8.613 1.00 0.00 C ATOM 685 CG GLU A 47 4.247 13.366 -9.628 1.00 0.00 C ATOM 686 CD GLU A 47 5.359 13.940 -10.483 1.00 0.00 C ATOM 687 OE1 GLU A 47 5.193 15.068 -10.993 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.396 13.262 -10.643 1.00 0.00 O ATOM 0 H GLU A 47 4.191 13.181 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 47 5.726 14.953 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.891 13.907 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.307 15.225 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.615 12.483 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.431 13.038 -10.272 1.00 0.00 H new ATOM 695 N ALA A 48 3.555 16.188 -6.003 1.00 0.00 N ATOM 696 CA ALA A 48 3.099 17.419 -5.369 1.00 0.00 C ATOM 697 C ALA A 48 4.272 18.215 -4.807 1.00 0.00 C ATOM 698 O ALA A 48 4.483 19.370 -5.174 1.00 0.00 O ATOM 699 CB ALA A 48 2.095 17.106 -4.269 1.00 0.00 C ATOM 0 H ALA A 48 3.197 15.335 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 48 2.611 18.030 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.763 18.034 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.237 16.587 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.565 16.472 -3.517 1.00 0.00 H new ATOM 705 N MET A 49 5.031 17.589 -3.913 1.00 0.00 N ATOM 706 CA MET A 49 6.183 18.240 -3.300 1.00 0.00 C ATOM 707 C MET A 49 7.167 18.717 -4.364 1.00 0.00 C ATOM 708 O MET A 49 7.886 19.697 -4.165 1.00 0.00 O ATOM 709 CB MET A 49 6.883 17.282 -2.334 1.00 0.00 C ATOM 710 CG MET A 49 7.231 15.939 -2.956 1.00 0.00 C ATOM 711 SD MET A 49 7.661 14.694 -1.724 1.00 0.00 S ATOM 712 CE MET A 49 6.318 14.894 -0.557 1.00 0.00 C ATOM 0 H MET A 49 4.869 16.633 -3.597 1.00 0.00 H new ATOM 0 HA MET A 49 5.826 19.108 -2.745 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.796 17.751 -1.968 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.240 17.117 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.384 15.585 -3.544 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.066 16.067 -3.644 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.091 13.933 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.609 15.607 0.214 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.435 15.264 -1.078 1.00 0.00 H new ATOM 722 N LYS A 50 7.195 18.018 -5.494 1.00 0.00 N ATOM 723 CA LYS A 50 8.090 18.370 -6.590 1.00 0.00 C ATOM 724 C LYS A 50 7.639 19.660 -7.267 1.00 0.00 C ATOM 725 O LYS A 50 8.412 20.302 -7.980 1.00 0.00 O ATOM 726 CB LYS A 50 8.145 17.235 -7.615 1.00 0.00 C ATOM 727 CG LYS A 50 9.085 16.108 -7.225 1.00 0.00 C ATOM 728 CD LYS A 50 8.966 14.928 -8.175 1.00 0.00 C ATOM 729 CE LYS A 50 10.258 14.127 -8.233 1.00 0.00 C ATOM 730 NZ LYS A 50 10.369 13.171 -7.096 1.00 0.00 N ATOM 0 H LYS A 50 6.608 17.204 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 50 9.087 18.527 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.142 16.830 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.457 17.641 -8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.112 16.473 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.862 15.782 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.150 14.281 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.714 15.287 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.304 13.579 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.109 14.808 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.263 12.644 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.351 13.696 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.571 12.505 -7.124 1.00 0.00 H new ATOM 744 N LEU A 51 6.385 20.035 -7.040 1.00 0.00 N ATOM 745 CA LEU A 51 5.832 21.250 -7.627 1.00 0.00 C ATOM 746 C LEU A 51 5.780 22.377 -6.600 1.00 0.00 C ATOM 747 O LEU A 51 6.173 23.509 -6.884 1.00 0.00 O ATOM 748 CB LEU A 51 4.430 20.982 -8.178 1.00 0.00 C ATOM 749 CG LEU A 51 3.494 22.189 -8.247 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.373 21.938 -9.245 1.00 0.00 C ATOM 751 CD2 LEU A 51 2.925 22.503 -6.871 1.00 0.00 C ATOM 0 H LEU A 51 5.732 19.515 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 51 6.484 21.558 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.529 20.566 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.959 20.217 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 51 4.069 23.051 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.717 22.807 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.798 21.763 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.800 21.063 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.261 23.365 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.366 21.643 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.740 22.727 -6.183 1.00 0.00 H new ATOM 763 N THR A 52 5.295 22.059 -5.404 1.00 0.00 N ATOM 764 CA THR A 52 5.192 23.043 -4.335 1.00 0.00 C ATOM 765 C THR A 52 6.572 23.502 -3.876 1.00 0.00 C ATOM 766 O THR A 52 7.465 22.685 -3.654 1.00 0.00 O ATOM 767 CB THR A 52 4.422 22.481 -3.125 1.00 0.00 C ATOM 768 OG1 THR A 52 3.828 23.551 -2.382 1.00 0.00 O ATOM 769 CG2 THR A 52 5.347 21.680 -2.220 1.00 0.00 C ATOM 0 H THR A 52 4.967 21.127 -5.152 1.00 0.00 H new ATOM 0 HA THR A 52 4.645 23.894 -4.741 1.00 0.00 H new ATOM 0 HB THR A 52 3.639 21.819 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.212 23.183 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.781 21.293 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.775 20.849 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.149 22.324 -1.858 1.00 0.00 H new ATOM 777 N GLU A 53 6.738 24.813 -3.735 1.00 0.00 N ATOM 778 CA GLU A 53 8.011 25.379 -3.303 1.00 0.00 C ATOM 779 C GLU A 53 8.024 25.595 -1.792 1.00 0.00 C ATOM 780 O GLU A 53 9.064 25.467 -1.145 1.00 0.00 O ATOM 781 CB GLU A 53 8.275 26.704 -4.021 1.00 0.00 C ATOM 782 CG GLU A 53 8.657 26.539 -5.482 1.00 0.00 C ATOM 783 CD GLU A 53 8.643 27.852 -6.241 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.593 28.529 -6.237 1.00 0.00 O ATOM 785 OE2 GLU A 53 9.682 28.202 -6.838 1.00 0.00 O ATOM 0 H GLU A 53 6.008 25.503 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 53 8.800 24.672 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.383 27.327 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.074 27.235 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.651 26.097 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.967 25.842 -5.957 1.00 0.00 H new ATOM 792 N SER A 54 6.862 25.925 -1.237 1.00 0.00 N ATOM 793 CA SER A 54 6.741 26.163 0.197 1.00 0.00 C ATOM 794 C SER A 54 7.328 25.001 0.992 1.00 0.00 C ATOM 795 O SER A 54 7.462 23.890 0.481 1.00 0.00 O ATOM 796 CB SER A 54 5.273 26.368 0.578 1.00 0.00 C ATOM 797 OG SER A 54 4.838 27.675 0.247 1.00 0.00 O ATOM 0 H SER A 54 5.992 26.034 -1.758 1.00 0.00 H new ATOM 0 HA SER A 54 7.302 27.066 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.654 25.634 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.144 26.198 1.647 1.00 0.00 H new ATOM 0 HG SER A 54 3.897 27.780 0.499 1.00 0.00 H new ATOM 803 N GLU A 55 7.676 25.268 2.248 1.00 0.00 N ATOM 804 CA GLU A 55 8.249 24.245 3.114 1.00 0.00 C ATOM 805 C GLU A 55 7.153 23.423 3.785 1.00 0.00 C ATOM 806 O GLU A 55 7.086 22.205 3.619 1.00 0.00 O ATOM 807 CB GLU A 55 9.143 24.887 4.177 1.00 0.00 C ATOM 808 CG GLU A 55 10.287 23.996 4.630 1.00 0.00 C ATOM 809 CD GLU A 55 10.901 24.455 5.938 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.139 24.697 6.898 1.00 0.00 O ATOM 811 OE2 GLU A 55 12.142 24.572 6.004 1.00 0.00 O ATOM 0 H GLU A 55 7.571 26.183 2.687 1.00 0.00 H new ATOM 0 HA GLU A 55 8.852 23.579 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.552 25.817 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.534 25.149 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.924 22.974 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.056 23.978 3.858 1.00 0.00 H new ATOM 818 N GLN A 56 6.295 24.098 4.544 1.00 0.00 N ATOM 819 CA GLN A 56 5.202 23.431 5.241 1.00 0.00 C ATOM 820 C GLN A 56 4.518 22.414 4.333 1.00 0.00 C ATOM 821 O GLN A 56 4.507 21.218 4.622 1.00 0.00 O ATOM 822 CB GLN A 56 4.183 24.458 5.737 1.00 0.00 C ATOM 823 CG GLN A 56 4.601 25.161 7.018 1.00 0.00 C ATOM 824 CD GLN A 56 5.432 26.401 6.759 1.00 0.00 C ATOM 825 OE1 GLN A 56 4.906 27.446 6.375 1.00 0.00 O ATOM 826 NE2 GLN A 56 6.739 26.293 6.968 1.00 0.00 N ATOM 0 H GLN A 56 6.336 25.106 4.692 1.00 0.00 H new ATOM 0 HA GLN A 56 5.619 22.902 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.023 25.204 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.228 23.959 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.711 25.437 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.171 24.469 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.133 25.408 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.349 27.095 6.810 1.00 0.00 H new ATOM 835 N ALA A 57 3.947 22.899 3.235 1.00 0.00 N ATOM 836 CA ALA A 57 3.262 22.032 2.285 1.00 0.00 C ATOM 837 C ALA A 57 4.064 20.763 2.022 1.00 0.00 C ATOM 838 O ALA A 57 3.567 19.652 2.208 1.00 0.00 O ATOM 839 CB ALA A 57 3.005 22.776 0.982 1.00 0.00 C ATOM 0 H ALA A 57 3.945 23.887 2.982 1.00 0.00 H new ATOM 0 HA ALA A 57 2.306 21.742 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.493 22.117 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.384 23.650 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.954 23.095 0.552 1.00 0.00 H new ATOM 845 N HIS A 58 5.309 20.934 1.587 1.00 0.00 N ATOM 846 CA HIS A 58 6.180 19.801 1.298 1.00 0.00 C ATOM 847 C HIS A 58 6.232 18.840 2.482 1.00 0.00 C ATOM 848 O HIS A 58 5.977 17.644 2.335 1.00 0.00 O ATOM 849 CB HIS A 58 7.590 20.288 0.959 1.00 0.00 C ATOM 850 CG HIS A 58 8.587 19.180 0.812 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.940 18.343 1.850 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.306 18.773 -0.260 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.835 17.470 1.423 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.074 17.709 0.146 1.00 0.00 N ATOM 0 H HIS A 58 5.737 21.846 1.427 1.00 0.00 H new ATOM 0 HA HIS A 58 5.771 19.269 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.555 20.860 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.928 20.969 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.281 19.204 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.293 16.693 2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.724 17.188 -0.443 1.00 0.00 H new ATOM 863 N LEU A 59 6.566 19.370 3.653 1.00 0.00 N ATOM 864 CA LEU A 59 6.652 18.559 4.863 1.00 0.00 C ATOM 865 C LEU A 59 5.409 17.690 5.026 1.00 0.00 C ATOM 866 O LEU A 59 5.499 16.463 5.067 1.00 0.00 O ATOM 867 CB LEU A 59 6.826 19.455 6.090 1.00 0.00 C ATOM 868 CG LEU A 59 8.264 19.838 6.443 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.061 20.141 5.184 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.282 21.031 7.388 1.00 0.00 C ATOM 0 H LEU A 59 6.782 20.357 3.791 1.00 0.00 H new ATOM 0 HA LEU A 59 7.520 17.906 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.256 20.370 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.384 18.950 6.949 1.00 0.00 H new ATOM 0 HG LEU A 59 8.731 18.992 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.081 20.411 5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.078 19.260 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.596 20.969 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.313 21.289 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.797 21.882 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.749 20.778 8.304 1.00 0.00 H new ATOM 882 N SER A 60 4.250 18.335 5.116 1.00 0.00 N ATOM 883 CA SER A 60 2.989 17.621 5.276 1.00 0.00 C ATOM 884 C SER A 60 2.931 16.406 4.354 1.00 0.00 C ATOM 885 O SER A 60 2.217 15.440 4.625 1.00 0.00 O ATOM 886 CB SER A 60 1.811 18.552 4.984 1.00 0.00 C ATOM 887 OG SER A 60 1.948 19.780 5.679 1.00 0.00 O ATOM 0 H SER A 60 4.158 19.350 5.081 1.00 0.00 H new ATOM 0 HA SER A 60 2.924 17.276 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.750 18.742 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.879 18.067 5.275 1.00 0.00 H new ATOM 0 HG SER A 60 1.184 20.359 5.475 1.00 0.00 H new ATOM 893 N LEU A 61 3.689 16.462 3.264 1.00 0.00 N ATOM 894 CA LEU A 61 3.726 15.367 2.301 1.00 0.00 C ATOM 895 C LEU A 61 4.854 14.394 2.625 1.00 0.00 C ATOM 896 O LEU A 61 4.647 13.182 2.667 1.00 0.00 O ATOM 897 CB LEU A 61 3.901 15.915 0.883 1.00 0.00 C ATOM 898 CG LEU A 61 2.835 16.904 0.409 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.219 17.496 -0.938 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.476 16.224 0.328 1.00 0.00 C ATOM 0 H LEU A 61 4.286 17.254 3.025 1.00 0.00 H new ATOM 0 HA LEU A 61 2.780 14.830 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.874 16.403 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.922 15.074 0.190 1.00 0.00 H new ATOM 0 HG LEU A 61 2.770 17.715 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.449 18.197 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.171 18.019 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.312 16.697 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.729 16.942 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.526 15.393 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.198 15.849 1.313 1.00 0.00 H new ATOM 912 N GLU A 62 6.046 14.934 2.857 1.00 0.00 N ATOM 913 CA GLU A 62 7.207 14.112 3.179 1.00 0.00 C ATOM 914 C GLU A 62 6.904 13.178 4.348 1.00 0.00 C ATOM 915 O GLU A 62 7.372 12.039 4.384 1.00 0.00 O ATOM 916 CB GLU A 62 8.408 14.997 3.518 1.00 0.00 C ATOM 917 CG GLU A 62 8.511 15.347 4.993 1.00 0.00 C ATOM 918 CD GLU A 62 9.674 16.273 5.293 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.307 16.761 4.335 1.00 0.00 O ATOM 920 OE2 GLU A 62 9.950 16.508 6.489 1.00 0.00 O ATOM 0 H GLU A 62 6.233 15.936 2.828 1.00 0.00 H new ATOM 0 HA GLU A 62 7.446 13.507 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.321 14.489 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.345 15.918 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.583 15.819 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.622 14.431 5.573 1.00 0.00 H new ATOM 927 N LEU A 63 6.120 13.669 5.301 1.00 0.00 N ATOM 928 CA LEU A 63 5.755 12.879 6.473 1.00 0.00 C ATOM 929 C LEU A 63 4.727 11.812 6.111 1.00 0.00 C ATOM 930 O LEU A 63 4.781 10.690 6.613 1.00 0.00 O ATOM 931 CB LEU A 63 5.198 13.787 7.571 1.00 0.00 C ATOM 932 CG LEU A 63 6.228 14.611 8.346 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.534 15.637 9.229 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.118 13.702 9.180 1.00 0.00 C ATOM 0 H LEU A 63 5.725 14.609 5.286 1.00 0.00 H new ATOM 0 HA LEU A 63 6.653 12.383 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.480 14.471 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.647 13.170 8.281 1.00 0.00 H new ATOM 0 HG LEU A 63 6.855 15.142 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.282 16.214 9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.939 16.307 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.884 15.126 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.845 14.305 9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.506 13.144 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.642 13.006 8.525 1.00 0.00 H new ATOM 946 N GLN A 64 3.794 12.169 5.234 1.00 0.00 N ATOM 947 CA GLN A 64 2.755 11.240 4.804 1.00 0.00 C ATOM 948 C GLN A 64 3.346 10.116 3.959 1.00 0.00 C ATOM 949 O GLN A 64 3.229 8.940 4.303 1.00 0.00 O ATOM 950 CB GLN A 64 1.678 11.980 4.009 1.00 0.00 C ATOM 951 CG GLN A 64 0.696 11.055 3.309 1.00 0.00 C ATOM 952 CD GLN A 64 -0.609 11.744 2.961 1.00 0.00 C ATOM 953 OE1 GLN A 64 -0.770 12.274 1.861 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.549 11.741 3.899 1.00 0.00 N ATOM 0 H GLN A 64 3.736 13.094 4.808 1.00 0.00 H new ATOM 0 HA GLN A 64 2.303 10.802 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.128 12.637 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.159 12.615 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.153 10.669 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.490 10.198 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.372 11.290 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.448 12.190 3.722 1.00 0.00 H new ATOM 963 N ARG A 65 3.980 10.486 2.851 1.00 0.00 N ATOM 964 CA ARG A 65 4.588 9.509 1.956 1.00 0.00 C ATOM 965 C ARG A 65 5.330 8.436 2.746 1.00 0.00 C ATOM 966 O ARG A 65 5.458 7.297 2.297 1.00 0.00 O ATOM 967 CB ARG A 65 5.549 10.201 0.988 1.00 0.00 C ATOM 968 CG ARG A 65 6.104 9.277 -0.084 1.00 0.00 C ATOM 969 CD ARG A 65 6.735 10.061 -1.224 1.00 0.00 C ATOM 970 NE ARG A 65 7.669 9.247 -1.997 1.00 0.00 N ATOM 971 CZ ARG A 65 8.561 9.754 -2.841 1.00 0.00 C ATOM 972 NH1 ARG A 65 8.640 11.065 -3.019 1.00 0.00 N ATOM 973 NH2 ARG A 65 9.377 8.948 -3.508 1.00 0.00 N ATOM 0 H ARG A 65 4.086 11.455 2.552 1.00 0.00 H new ATOM 0 HA ARG A 65 3.791 9.031 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.032 11.032 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.378 10.626 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.847 8.612 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.304 8.648 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.952 10.438 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.258 10.929 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 65 7.635 8.234 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.015 11.688 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.326 11.451 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.320 7.939 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.062 9.338 -4.156 1.00 0.00 H new ATOM 987 N ASP A 66 5.818 8.807 3.925 1.00 0.00 N ATOM 988 CA ASP A 66 6.547 7.876 4.778 1.00 0.00 C ATOM 989 C ASP A 66 5.741 6.602 5.005 1.00 0.00 C ATOM 990 O ASP A 66 6.130 5.522 4.561 1.00 0.00 O ATOM 991 CB ASP A 66 6.877 8.533 6.120 1.00 0.00 C ATOM 992 CG ASP A 66 7.660 7.614 7.037 1.00 0.00 C ATOM 993 OD1 ASP A 66 7.073 6.629 7.534 1.00 0.00 O ATOM 994 OD2 ASP A 66 8.860 7.878 7.257 1.00 0.00 O ATOM 0 H ASP A 66 5.722 9.746 4.311 1.00 0.00 H new ATOM 0 HA ASP A 66 7.476 7.611 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.452 9.442 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.952 8.831 6.613 1.00 0.00 H new ATOM 999 N SER A 67 4.616 6.735 5.702 1.00 0.00 N ATOM 1000 CA SER A 67 3.758 5.593 5.992 1.00 0.00 C ATOM 1001 C SER A 67 3.365 4.868 4.709 1.00 0.00 C ATOM 1002 O SER A 67 3.133 3.658 4.712 1.00 0.00 O ATOM 1003 CB SER A 67 2.502 6.049 6.739 1.00 0.00 C ATOM 1004 OG SER A 67 2.024 7.281 6.227 1.00 0.00 O ATOM 0 H SER A 67 4.278 7.622 6.076 1.00 0.00 H new ATOM 0 HA SER A 67 4.317 4.901 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.726 5.289 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.725 6.155 7.801 1.00 0.00 H new ATOM 0 HG SER A 67 1.221 7.550 6.719 1.00 0.00 H new ATOM 1010 N HIS A 68 3.292 5.616 3.613 1.00 0.00 N ATOM 1011 CA HIS A 68 2.928 5.045 2.320 1.00 0.00 C ATOM 1012 C HIS A 68 3.979 4.042 1.854 1.00 0.00 C ATOM 1013 O HIS A 68 3.664 3.081 1.152 1.00 0.00 O ATOM 1014 CB HIS A 68 2.765 6.152 1.278 1.00 0.00 C ATOM 1015 CG HIS A 68 1.372 6.695 1.195 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.286 5.928 0.829 1.00 0.00 N ATOM 1017 CD2 HIS A 68 0.890 7.938 1.433 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.804 6.676 0.845 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.464 7.899 1.209 1.00 0.00 N ATOM 0 H HIS A 68 3.480 6.618 3.594 1.00 0.00 H new ATOM 0 HA HIS A 68 1.978 4.522 2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.450 6.966 1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.054 5.765 0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.464 8.799 1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.802 6.343 0.602 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.104 8.687 1.308 1.00 0.00 H new ATOM 1028 N MET A 69 5.227 4.273 2.248 1.00 0.00 N ATOM 1029 CA MET A 69 6.323 3.388 1.871 1.00 0.00 C ATOM 1030 C MET A 69 6.623 2.389 2.983 1.00 0.00 C ATOM 1031 O MET A 69 7.014 1.251 2.721 1.00 0.00 O ATOM 1032 CB MET A 69 7.577 4.204 1.550 1.00 0.00 C ATOM 1033 CG MET A 69 7.602 4.748 0.131 1.00 0.00 C ATOM 1034 SD MET A 69 7.476 3.450 -1.113 1.00 0.00 S ATOM 1035 CE MET A 69 8.556 2.204 -0.413 1.00 0.00 C ATOM 0 H MET A 69 5.504 5.065 2.828 1.00 0.00 H new ATOM 0 HA MET A 69 6.021 2.834 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.648 5.036 2.251 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.457 3.580 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.779 5.451 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.526 5.306 -0.024 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.853 1.501 -1.191 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.443 2.683 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.030 1.669 0.378 1.00 0.00 H new ATOM 1045 N LYS A 70 6.438 2.820 4.226 1.00 0.00 N ATOM 1046 CA LYS A 70 6.687 1.963 5.379 1.00 0.00 C ATOM 1047 C LYS A 70 5.888 0.668 5.278 1.00 0.00 C ATOM 1048 O LYS A 70 6.381 -0.404 5.626 1.00 0.00 O ATOM 1049 CB LYS A 70 6.328 2.697 6.673 1.00 0.00 C ATOM 1050 CG LYS A 70 4.907 2.439 7.144 1.00 0.00 C ATOM 1051 CD LYS A 70 4.642 3.082 8.495 1.00 0.00 C ATOM 1052 CE LYS A 70 5.311 2.308 9.621 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.505 3.151 10.834 1.00 0.00 N ATOM 0 H LYS A 70 6.116 3.759 4.461 1.00 0.00 H new ATOM 0 HA LYS A 70 7.748 1.714 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.022 2.395 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.463 3.768 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.203 2.830 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.734 1.365 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.009 4.108 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.568 3.129 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.704 1.439 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.276 1.933 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.963 2.588 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.105 3.967 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.582 3.488 11.174 1.00 0.00 H new ATOM 1067 N GLN A 71 4.653 0.776 4.798 1.00 0.00 N ATOM 1068 CA GLN A 71 3.786 -0.387 4.650 1.00 0.00 C ATOM 1069 C GLN A 71 4.205 -1.228 3.449 1.00 0.00 C ATOM 1070 O GLN A 71 4.033 -2.448 3.442 1.00 0.00 O ATOM 1071 CB GLN A 71 2.329 0.052 4.498 1.00 0.00 C ATOM 1072 CG GLN A 71 1.647 0.367 5.819 1.00 0.00 C ATOM 1073 CD GLN A 71 1.217 -0.880 6.566 1.00 0.00 C ATOM 1074 OE1 GLN A 71 0.153 -1.439 6.302 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.045 -1.323 7.506 1.00 0.00 N ATOM 0 H GLN A 71 4.231 1.657 4.505 1.00 0.00 H new ATOM 0 HA GLN A 71 3.881 -0.997 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.289 0.934 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.772 -0.735 3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.326 0.945 6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.775 0.993 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.917 -0.828 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.808 -2.158 8.042 1.00 0.00 H new ATOM 1084 N LEU A 72 4.753 -0.570 2.434 1.00 0.00 N ATOM 1085 CA LEU A 72 5.196 -1.257 1.226 1.00 0.00 C ATOM 1086 C LEU A 72 6.348 -2.208 1.532 1.00 0.00 C ATOM 1087 O LEU A 72 6.255 -3.412 1.290 1.00 0.00 O ATOM 1088 CB LEU A 72 5.626 -0.241 0.166 1.00 0.00 C ATOM 1089 CG LEU A 72 6.282 -0.818 -1.089 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.526 -2.047 -1.570 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.347 0.233 -2.188 1.00 0.00 C ATOM 0 H LEU A 72 4.901 0.439 2.423 1.00 0.00 H new ATOM 0 HA LEU A 72 4.359 -1.841 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.749 0.331 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.322 0.461 0.625 1.00 0.00 H new ATOM 0 HG LEU A 72 7.300 -1.117 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.007 -2.444 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.531 -2.806 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.497 -1.773 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.817 -0.195 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.338 0.563 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.933 1.085 -1.843 1.00 0.00 H new ATOM 1103 N LEU A 73 7.434 -1.661 2.067 1.00 0.00 N ATOM 1104 CA LEU A 73 8.605 -2.461 2.409 1.00 0.00 C ATOM 1105 C LEU A 73 8.217 -3.644 3.290 1.00 0.00 C ATOM 1106 O LEU A 73 8.852 -4.699 3.246 1.00 0.00 O ATOM 1107 CB LEU A 73 9.646 -1.598 3.124 1.00 0.00 C ATOM 1108 CG LEU A 73 9.919 -0.226 2.505 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.036 0.484 3.255 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.269 -0.366 1.031 1.00 0.00 C ATOM 0 H LEU A 73 7.528 -0.667 2.273 1.00 0.00 H new ATOM 0 HA LEU A 73 9.035 -2.845 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.322 -1.452 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.584 -2.151 3.161 1.00 0.00 H new ATOM 0 HG LEU A 73 9.014 0.376 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.217 1.458 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.747 0.617 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.946 -0.114 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.460 0.620 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.160 -0.985 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.438 -0.833 0.503 1.00 0.00 H new ATOM 1122 N LEU A 74 7.171 -3.463 4.089 1.00 0.00 N ATOM 1123 CA LEU A 74 6.697 -4.517 4.979 1.00 0.00 C ATOM 1124 C LEU A 74 5.904 -5.566 4.207 1.00 0.00 C ATOM 1125 O LEU A 74 6.378 -6.682 3.992 1.00 0.00 O ATOM 1126 CB LEU A 74 5.829 -3.921 6.089 1.00 0.00 C ATOM 1127 CG LEU A 74 6.579 -3.359 7.298 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.628 -2.600 8.210 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.275 -4.477 8.061 1.00 0.00 C ATOM 0 H LEU A 74 6.635 -2.596 4.139 1.00 0.00 H new ATOM 0 HA LEU A 74 7.566 -5.001 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.222 -3.124 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.142 -4.691 6.439 1.00 0.00 H new ATOM 0 HG LEU A 74 7.338 -2.664 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.179 -2.207 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.177 -1.775 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.846 -3.273 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.803 -4.059 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.534 -5.197 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.987 -4.977 7.404 1.00 0.00 H new ATOM 1141 N ILE A 75 4.696 -5.200 3.790 1.00 0.00 N ATOM 1142 CA ILE A 75 3.840 -6.109 3.039 1.00 0.00 C ATOM 1143 C ILE A 75 4.652 -6.938 2.049 1.00 0.00 C ATOM 1144 O ILE A 75 4.307 -8.082 1.754 1.00 0.00 O ATOM 1145 CB ILE A 75 2.743 -5.346 2.274 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.805 -4.638 3.254 1.00 0.00 C ATOM 1147 CG2 ILE A 75 1.963 -6.296 1.378 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.046 -3.484 2.638 1.00 0.00 C ATOM 0 H ILE A 75 4.289 -4.280 3.960 1.00 0.00 H new ATOM 0 HA ILE A 75 3.371 -6.773 3.765 1.00 0.00 H new ATOM 0 HB ILE A 75 3.217 -4.592 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.092 -5.362 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.387 -4.270 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.191 -5.741 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.641 -6.758 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.497 -7.071 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.401 -3.030 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.752 -2.740 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.437 -3.849 1.811 1.00 0.00 H new ATOM 1160 N GLN A 76 5.732 -6.352 1.542 1.00 0.00 N ATOM 1161 CA GLN A 76 6.594 -7.038 0.586 1.00 0.00 C ATOM 1162 C GLN A 76 7.085 -8.366 1.152 1.00 0.00 C ATOM 1163 O GLN A 76 6.864 -9.422 0.560 1.00 0.00 O ATOM 1164 CB GLN A 76 7.787 -6.154 0.218 1.00 0.00 C ATOM 1165 CG GLN A 76 7.510 -5.211 -0.942 1.00 0.00 C ATOM 1166 CD GLN A 76 8.774 -4.791 -1.666 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.483 -5.621 -2.235 1.00 0.00 O ATOM 1168 NE2 GLN A 76 9.064 -3.495 -1.648 1.00 0.00 N ATOM 0 H GLN A 76 6.031 -5.405 1.777 1.00 0.00 H new ATOM 0 HA GLN A 76 6.010 -7.240 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.077 -5.568 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.635 -6.790 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.836 -5.697 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.997 -4.324 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.448 -2.841 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.902 -3.153 -2.118 1.00 0.00 H new ATOM 1177 N GLU A 77 7.753 -8.304 2.299 1.00 0.00 N ATOM 1178 CA GLU A 77 8.277 -9.504 2.943 1.00 0.00 C ATOM 1179 C GLU A 77 7.146 -10.452 3.330 1.00 0.00 C ATOM 1180 O GLU A 77 7.241 -11.663 3.129 1.00 0.00 O ATOM 1181 CB GLU A 77 9.090 -9.129 4.184 1.00 0.00 C ATOM 1182 CG GLU A 77 8.467 -8.014 5.006 1.00 0.00 C ATOM 1183 CD GLU A 77 9.123 -7.854 6.364 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.312 -8.878 7.055 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.445 -6.707 6.737 1.00 0.00 O ATOM 0 H GLU A 77 7.944 -7.437 2.801 1.00 0.00 H new ATOM 0 HA GLU A 77 8.927 -10.013 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.205 -10.012 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.090 -8.826 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.544 -7.076 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.405 -8.217 5.141 1.00 0.00 H new ATOM 1192 N ARG A 78 6.076 -9.892 3.886 1.00 0.00 N ATOM 1193 CA ARG A 78 4.928 -10.687 4.302 1.00 0.00 C ATOM 1194 C ARG A 78 4.431 -11.566 3.158 1.00 0.00 C ATOM 1195 O ARG A 78 3.965 -12.684 3.378 1.00 0.00 O ATOM 1196 CB ARG A 78 3.799 -9.775 4.787 1.00 0.00 C ATOM 1197 CG ARG A 78 4.007 -9.245 6.196 1.00 0.00 C ATOM 1198 CD ARG A 78 5.394 -8.646 6.367 1.00 0.00 C ATOM 1199 NE ARG A 78 5.595 -8.106 7.709 1.00 0.00 N ATOM 1200 CZ ARG A 78 5.889 -8.854 8.766 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.016 -10.167 8.638 1.00 0.00 N ATOM 1202 NH2 ARG A 78 6.058 -8.288 9.954 1.00 0.00 N ATOM 0 H ARG A 78 5.981 -8.891 4.058 1.00 0.00 H new ATOM 0 HA ARG A 78 5.243 -11.333 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.704 -8.933 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.858 -10.324 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.253 -8.489 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.867 -10.053 6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.146 -9.409 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.540 -7.854 5.632 1.00 0.00 H new ATOM 0 HE ARG A 78 5.505 -7.099 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.888 -10.605 7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.242 -10.739 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.962 -7.278 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.284 -8.863 10.765 1.00 0.00 H new ATOM 1216 N TRP A 79 4.533 -11.052 1.938 1.00 0.00 N ATOM 1217 CA TRP A 79 4.093 -11.790 0.759 1.00 0.00 C ATOM 1218 C TRP A 79 5.116 -12.850 0.368 1.00 0.00 C ATOM 1219 O TRP A 79 4.762 -13.995 0.085 1.00 0.00 O ATOM 1220 CB TRP A 79 3.860 -10.831 -0.410 1.00 0.00 C ATOM 1221 CG TRP A 79 3.445 -11.524 -1.673 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.732 -12.685 -1.774 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.717 -11.101 -3.013 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.546 -13.009 -3.096 1.00 0.00 N ATOM 1225 CE2 TRP A 79 3.140 -12.052 -3.876 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.391 -10.009 -3.567 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 3.218 -11.944 -5.262 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.468 -9.903 -4.943 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.883 -10.865 -5.778 1.00 0.00 C ATOM 0 H TRP A 79 4.916 -10.128 1.739 1.00 0.00 H new ATOM 0 HA TRP A 79 3.155 -12.290 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.092 -10.109 -0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.774 -10.268 -0.597 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.368 -13.263 -0.937 1.00 0.00 H new ATOM 0 HE1 TRP A 79 2.047 -13.829 -3.441 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.843 -9.262 -2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.770 -12.685 -5.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.988 -9.065 -5.382 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.959 -10.752 -6.849 1.00 0.00 H new ATOM 1240 N LYS A 80 6.387 -12.463 0.353 1.00 0.00 N ATOM 1241 CA LYS A 80 7.463 -13.381 -0.002 1.00 0.00 C ATOM 1242 C LYS A 80 7.283 -14.726 0.695 1.00 0.00 C ATOM 1243 O LYS A 80 7.253 -15.772 0.047 1.00 0.00 O ATOM 1244 CB LYS A 80 8.819 -12.779 0.371 1.00 0.00 C ATOM 1245 CG LYS A 80 9.289 -11.698 -0.587 1.00 0.00 C ATOM 1246 CD LYS A 80 10.776 -11.424 -0.432 1.00 0.00 C ATOM 1247 CE LYS A 80 11.045 -10.423 0.681 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.468 -9.985 0.702 1.00 0.00 N ATOM 0 H LYS A 80 6.697 -11.519 0.583 1.00 0.00 H new ATOM 0 HA LYS A 80 7.428 -13.542 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.757 -12.361 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.564 -13.574 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.079 -12.003 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.728 -10.781 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.299 -12.356 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.177 -11.042 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.400 -9.554 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.789 -10.870 1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.610 -9.303 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.083 -10.810 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.706 -9.535 -0.205 1.00 0.00 H new ATOM 1262 N ARG A 81 7.162 -14.691 2.018 1.00 0.00 N ATOM 1263 CA ARG A 81 6.984 -15.907 2.802 1.00 0.00 C ATOM 1264 C ARG A 81 5.808 -16.725 2.277 1.00 0.00 C ATOM 1265 O ARG A 81 5.921 -17.934 2.076 1.00 0.00 O ATOM 1266 CB ARG A 81 6.761 -15.561 4.275 1.00 0.00 C ATOM 1267 CG ARG A 81 8.049 -15.307 5.042 1.00 0.00 C ATOM 1268 CD ARG A 81 8.474 -13.850 4.950 1.00 0.00 C ATOM 1269 NE ARG A 81 9.375 -13.613 3.825 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.666 -13.928 3.839 1.00 0.00 C ATOM 1271 NH1 ARG A 81 11.203 -14.490 4.912 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.421 -13.681 2.776 1.00 0.00 N ATOM 0 H ARG A 81 7.184 -13.833 2.570 1.00 0.00 H new ATOM 0 HA ARG A 81 7.890 -16.505 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.129 -14.676 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.218 -16.376 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.911 -15.582 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.841 -15.944 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.590 -13.220 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.967 -13.557 5.877 1.00 0.00 H new ATOM 0 HE ARG A 81 8.993 -13.182 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.625 -14.682 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.194 -14.731 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.010 -13.249 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.412 -13.923 2.787 1.00 0.00 H new ATOM 1286 N ALA A 82 4.680 -16.057 2.057 1.00 0.00 N ATOM 1287 CA ALA A 82 3.485 -16.722 1.554 1.00 0.00 C ATOM 1288 C ALA A 82 3.776 -17.469 0.257 1.00 0.00 C ATOM 1289 O ALA A 82 3.062 -18.404 -0.107 1.00 0.00 O ATOM 1290 CB ALA A 82 2.368 -15.710 1.343 1.00 0.00 C ATOM 0 H ALA A 82 4.569 -15.056 2.219 1.00 0.00 H new ATOM 0 HA ALA A 82 3.165 -17.451 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.481 -16.220 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.133 -15.224 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.689 -14.960 0.620 1.00 0.00 H new ATOM 1296 N LYS A 83 4.828 -17.051 -0.438 1.00 0.00 N ATOM 1297 CA LYS A 83 5.215 -17.680 -1.695 1.00 0.00 C ATOM 1298 C LYS A 83 5.494 -19.167 -1.496 1.00 0.00 C ATOM 1299 O LYS A 83 4.972 -20.009 -2.226 1.00 0.00 O ATOM 1300 CB LYS A 83 6.453 -16.991 -2.274 1.00 0.00 C ATOM 1301 CG LYS A 83 6.298 -15.488 -2.426 1.00 0.00 C ATOM 1302 CD LYS A 83 5.385 -15.137 -3.589 1.00 0.00 C ATOM 1303 CE LYS A 83 6.168 -14.979 -4.883 1.00 0.00 C ATOM 1304 NZ LYS A 83 6.656 -13.584 -5.070 1.00 0.00 N ATOM 0 H LYS A 83 5.429 -16.278 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 83 4.387 -17.574 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.307 -17.196 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.678 -17.425 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.894 -15.068 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.277 -15.034 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.633 -15.916 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.853 -14.212 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.017 -15.663 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.536 -15.259 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.185 -13.518 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.845 -12.933 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.279 -13.325 -4.279 1.00 0.00 H new ATOM 1318 N ARG A 84 6.319 -19.482 -0.502 1.00 0.00 N ATOM 1319 CA ARG A 84 6.666 -20.867 -0.207 1.00 0.00 C ATOM 1320 C ARG A 84 5.732 -21.448 0.851 1.00 0.00 C ATOM 1321 O ARG A 84 5.373 -22.623 0.796 1.00 0.00 O ATOM 1322 CB ARG A 84 8.116 -20.960 0.270 1.00 0.00 C ATOM 1323 CG ARG A 84 8.449 -20.000 1.400 1.00 0.00 C ATOM 1324 CD ARG A 84 8.996 -18.684 0.870 1.00 0.00 C ATOM 1325 NE ARG A 84 10.452 -18.704 0.752 1.00 0.00 N ATOM 1326 CZ ARG A 84 11.192 -17.611 0.599 1.00 0.00 C ATOM 1327 NH1 ARG A 84 10.615 -16.418 0.546 1.00 0.00 N ATOM 1328 NH2 ARG A 84 12.511 -17.711 0.500 1.00 0.00 N ATOM 0 H ARG A 84 6.759 -18.797 0.112 1.00 0.00 H new ATOM 0 HA ARG A 84 6.554 -21.447 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.316 -21.979 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.780 -20.761 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.555 -19.811 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.181 -20.458 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.556 -18.475 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.697 -17.873 1.535 1.00 0.00 H new ATOM 0 HE ARG A 84 10.926 -19.606 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.601 -16.338 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.185 -15.580 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.958 -18.627 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.079 -16.872 0.383 1.00 0.00 H new ATOM 1342 N GLU A 85 5.345 -20.616 1.812 1.00 0.00 N ATOM 1343 CA GLU A 85 4.454 -21.048 2.883 1.00 0.00 C ATOM 1344 C GLU A 85 3.131 -21.557 2.318 1.00 0.00 C ATOM 1345 O GLU A 85 2.493 -22.434 2.899 1.00 0.00 O ATOM 1346 CB GLU A 85 4.196 -19.898 3.858 1.00 0.00 C ATOM 1347 CG GLU A 85 5.465 -19.282 4.422 1.00 0.00 C ATOM 1348 CD GLU A 85 5.910 -19.942 5.712 1.00 0.00 C ATOM 1349 OE1 GLU A 85 5.055 -20.148 6.599 1.00 0.00 O ATOM 1350 OE2 GLU A 85 7.113 -20.253 5.836 1.00 0.00 O ATOM 0 H GLU A 85 5.634 -19.640 1.871 1.00 0.00 H new ATOM 0 HA GLU A 85 4.940 -21.865 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.621 -19.124 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.582 -20.262 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.263 -19.362 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.301 -18.219 4.600 1.00 0.00 H new ATOM 1357 N GLU A 86 2.726 -20.999 1.181 1.00 0.00 N ATOM 1358 CA GLU A 86 1.478 -21.395 0.539 1.00 0.00 C ATOM 1359 C GLU A 86 1.685 -22.627 -0.338 1.00 0.00 C ATOM 1360 O GLU A 86 0.910 -23.582 -0.278 1.00 0.00 O ATOM 1361 CB GLU A 86 0.924 -20.244 -0.303 1.00 0.00 C ATOM 1362 CG GLU A 86 -0.287 -20.628 -1.137 1.00 0.00 C ATOM 1363 CD GLU A 86 -1.212 -19.455 -1.396 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -1.566 -18.751 -0.427 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -1.582 -19.240 -2.570 1.00 0.00 O ATOM 0 H GLU A 86 3.243 -20.272 0.686 1.00 0.00 H new ATOM 0 HA GLU A 86 0.760 -21.642 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.654 -19.420 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.709 -19.878 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.048 -21.039 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.840 -21.416 -0.626 1.00 0.00 H new ATOM 1372 N ARG A 87 2.736 -22.598 -1.151 1.00 0.00 N ATOM 1373 CA ARG A 87 3.045 -23.710 -2.041 1.00 0.00 C ATOM 1374 C ARG A 87 3.429 -24.954 -1.245 1.00 0.00 C ATOM 1375 O ARG A 87 3.429 -26.067 -1.773 1.00 0.00 O ATOM 1376 CB ARG A 87 4.181 -23.330 -2.993 1.00 0.00 C ATOM 1377 CG ARG A 87 3.716 -22.565 -4.222 1.00 0.00 C ATOM 1378 CD ARG A 87 3.345 -23.508 -5.356 1.00 0.00 C ATOM 1379 NE ARG A 87 3.133 -22.794 -6.613 1.00 0.00 N ATOM 1380 CZ ARG A 87 3.007 -23.398 -7.789 1.00 0.00 C ATOM 1381 NH1 ARG A 87 3.072 -24.720 -7.869 1.00 0.00 N ATOM 1382 NH2 ARG A 87 2.816 -22.680 -8.888 1.00 0.00 N ATOM 0 H ARG A 87 3.388 -21.816 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 87 2.152 -23.934 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.909 -22.725 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.694 -24.237 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.855 -21.948 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.505 -21.890 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.136 -24.246 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.440 -24.054 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 87 3.079 -21.776 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.219 -25.275 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.975 -25.182 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.766 -21.663 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.719 -23.145 -9.791 1.00 0.00 H new ATOM 1396 N LEU A 88 3.755 -24.757 0.028 1.00 0.00 N ATOM 1397 CA LEU A 88 4.142 -25.862 0.898 1.00 0.00 C ATOM 1398 C LEU A 88 2.913 -26.571 1.458 1.00 0.00 C ATOM 1399 O LEU A 88 2.808 -27.796 1.400 1.00 0.00 O ATOM 1400 CB LEU A 88 5.017 -25.353 2.044 1.00 0.00 C ATOM 1401 CG LEU A 88 6.438 -24.930 1.668 1.00 0.00 C ATOM 1402 CD1 LEU A 88 6.929 -23.827 2.592 1.00 0.00 C ATOM 1403 CD2 LEU A 88 7.379 -26.125 1.712 1.00 0.00 C ATOM 0 H LEU A 88 3.759 -23.843 0.480 1.00 0.00 H new ATOM 0 HA LEU A 88 4.712 -26.577 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.517 -24.502 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.081 -26.135 2.801 1.00 0.00 H new ATOM 0 HG LEU A 88 6.424 -24.542 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.942 -23.539 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.270 -22.963 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.928 -24.187 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.386 -25.806 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.389 -26.543 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.037 -26.883 1.007 1.00 0.00 H new ATOM 1415 N LYS A 89 1.982 -25.791 1.998 1.00 0.00 N ATOM 1416 CA LYS A 89 0.757 -26.342 2.565 1.00 0.00 C ATOM 1417 C LYS A 89 -0.145 -26.903 1.471 1.00 0.00 C ATOM 1418 O LYS A 89 -0.570 -28.057 1.534 1.00 0.00 O ATOM 1419 CB LYS A 89 0.008 -25.267 3.356 1.00 0.00 C ATOM 1420 CG LYS A 89 -0.544 -24.148 2.489 1.00 0.00 C ATOM 1421 CD LYS A 89 -0.966 -22.951 3.325 1.00 0.00 C ATOM 1422 CE LYS A 89 -2.320 -23.178 3.980 1.00 0.00 C ATOM 1423 NZ LYS A 89 -2.195 -23.892 5.281 1.00 0.00 N ATOM 0 H LYS A 89 2.053 -24.775 2.055 1.00 0.00 H new ATOM 0 HA LYS A 89 1.032 -27.155 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.814 -25.734 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.681 -24.841 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.212 -23.840 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.398 -24.515 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.217 -22.760 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.010 -22.063 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.812 -22.218 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.956 -23.755 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.722 -24.787 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.192 -24.090 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.583 -23.298 6.042 1.00 0.00 H new ATOM 1437 N ALA A 90 -0.433 -26.081 0.467 1.00 0.00 N ATOM 1438 CA ALA A 90 -1.281 -26.497 -0.643 1.00 0.00 C ATOM 1439 C ALA A 90 -0.878 -27.875 -1.155 1.00 0.00 C ATOM 1440 O ALA A 90 -1.704 -28.784 -1.239 1.00 0.00 O ATOM 1441 CB ALA A 90 -1.218 -25.474 -1.767 1.00 0.00 C ATOM 0 H ALA A 90 -0.091 -25.122 0.400 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.307 -26.559 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.856 -25.797 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.562 -24.507 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.190 -25.383 -2.119 1.00 0.00 H new ATOM 1447 N HIS A 91 0.398 -28.024 -1.499 1.00 0.00 N ATOM 1448 CA HIS A 91 0.911 -29.292 -2.004 1.00 0.00 C ATOM 1449 C HIS A 91 0.274 -29.640 -3.346 1.00 0.00 C ATOM 1450 O HIS A 91 -0.085 -30.791 -3.593 1.00 0.00 O ATOM 1451 CB HIS A 91 0.647 -30.411 -0.996 1.00 0.00 C ATOM 1452 CG HIS A 91 1.293 -31.712 -1.362 1.00 0.00 C ATOM 1453 ND1 HIS A 91 0.581 -32.810 -1.797 1.00 0.00 N ATOM 1454 CD2 HIS A 91 2.594 -32.087 -1.357 1.00 0.00 C ATOM 1455 CE1 HIS A 91 1.415 -33.804 -2.042 1.00 0.00 C ATOM 1456 NE2 HIS A 91 2.643 -33.391 -1.784 1.00 0.00 N ATOM 0 H HIS A 91 1.095 -27.282 -1.437 1.00 0.00 H new ATOM 0 HA HIS A 91 1.987 -29.189 -2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.008 -30.099 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.429 -30.562 -0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.436 -31.475 -1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.140 -34.787 -2.394 1.00 0.00 H new ATOM 0 HE2 HIS A 91 3.490 -33.950 -1.886 1.00 0.00 H new ATOM 1465 N SER A 92 0.136 -28.638 -4.208 1.00 0.00 N ATOM 1466 CA SER A 92 -0.462 -28.837 -5.523 1.00 0.00 C ATOM 1467 C SER A 92 0.139 -30.058 -6.213 1.00 0.00 C ATOM 1468 O SER A 92 -0.541 -31.060 -6.429 1.00 0.00 O ATOM 1469 CB SER A 92 -0.260 -27.594 -6.392 1.00 0.00 C ATOM 1470 OG SER A 92 -1.096 -26.533 -5.965 1.00 0.00 O ATOM 0 H SER A 92 0.430 -27.680 -4.019 1.00 0.00 H new ATOM 0 HA SER A 92 -1.530 -29.007 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.783 -27.280 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.476 -27.835 -7.433 1.00 0.00 H new ATOM 0 HG SER A 92 -0.947 -25.750 -6.535 1.00 0.00 H new ATOM 1476 N GLY A 93 1.420 -29.964 -6.558 1.00 0.00 N ATOM 1477 CA GLY A 93 2.092 -31.067 -7.221 1.00 0.00 C ATOM 1478 C GLY A 93 3.447 -31.370 -6.613 1.00 0.00 C ATOM 1479 O GLY A 93 4.156 -30.477 -6.149 1.00 0.00 O ATOM 0 H GLY A 93 2.004 -29.145 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.465 -31.957 -7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.216 -30.830 -8.278 1.00 0.00 H new ATOM 1483 N PRO A 94 3.823 -32.657 -6.609 1.00 0.00 N ATOM 1484 CA PRO A 94 5.105 -33.105 -6.055 1.00 0.00 C ATOM 1485 C PRO A 94 6.291 -32.659 -6.903 1.00 0.00 C ATOM 1486 O PRO A 94 6.152 -32.416 -8.101 1.00 0.00 O ATOM 1487 CB PRO A 94 4.982 -34.631 -6.067 1.00 0.00 C ATOM 1488 CG PRO A 94 3.998 -34.923 -7.147 1.00 0.00 C ATOM 1489 CD PRO A 94 3.028 -33.774 -7.145 1.00 0.00 C ATOM 0 HA PRO A 94 5.290 -32.686 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.943 -35.104 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.637 -35.008 -5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.494 -35.013 -8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.485 -35.867 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.658 -33.559 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.158 -33.983 -6.522 1.00 0.00 H new ATOM 1497 N SER A 95 7.456 -32.553 -6.273 1.00 0.00 N ATOM 1498 CA SER A 95 8.666 -32.133 -6.970 1.00 0.00 C ATOM 1499 C SER A 95 8.472 -30.766 -7.620 1.00 0.00 C ATOM 1500 O SER A 95 8.891 -30.542 -8.755 1.00 0.00 O ATOM 1501 CB SER A 95 9.054 -33.165 -8.031 1.00 0.00 C ATOM 1502 OG SER A 95 10.331 -32.881 -8.575 1.00 0.00 O ATOM 0 H SER A 95 7.588 -32.752 -5.281 1.00 0.00 H new ATOM 0 HA SER A 95 9.469 -32.057 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.057 -34.162 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.309 -33.171 -8.827 1.00 0.00 H new ATOM 0 HG SER A 95 10.362 -31.946 -8.867 1.00 0.00 H new ATOM 1508 N SER A 96 7.833 -29.857 -6.891 1.00 0.00 N ATOM 1509 CA SER A 96 7.579 -28.513 -7.397 1.00 0.00 C ATOM 1510 C SER A 96 6.679 -28.557 -8.628 1.00 0.00 C ATOM 1511 O SER A 96 6.990 -27.963 -9.660 1.00 0.00 O ATOM 1512 CB SER A 96 8.897 -27.816 -7.739 1.00 0.00 C ATOM 1513 OG SER A 96 8.774 -26.409 -7.628 1.00 0.00 O ATOM 0 H SER A 96 7.482 -30.026 -5.948 1.00 0.00 H new ATOM 0 HA SER A 96 7.070 -27.948 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.683 -28.169 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.199 -28.079 -8.753 1.00 0.00 H new ATOM 0 HG SER A 96 9.630 -25.987 -7.850 1.00 0.00 H new ATOM 1519 N GLY A 97 5.561 -29.267 -8.511 1.00 0.00 N ATOM 1520 CA GLY A 97 4.632 -29.377 -9.621 1.00 0.00 C ATOM 1521 C GLY A 97 4.045 -30.768 -9.750 1.00 0.00 C ATOM 1522 O GLY A 97 4.345 -31.490 -10.701 1.00 0.00 O ATOM 0 H GLY A 97 5.282 -29.768 -7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.825 -28.656 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.144 -29.115 -10.547 1.00 0.00 H new TER 1526 GLY A 97