USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 93 HIS : no HD1:sc= -1.98 K(o=-3.8,f=-8.9!) USER MOD Set 1.2: A 94 ASN : amide:sc= -1.84 K(o=-3.8,f=-3.2) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.569 X(o=-1.4,f=-1.4) USER MOD Set 2.2: A 88 THR OG1 : rot -83:sc= -0.876! USER MOD Set 3.1: A 47 SER OG : rot 87:sc= -3.12! USER MOD Set 3.2: A 56 HIS : no HD1:sc= -0.331 K(o=-3.5,f=-13!) USER MOD Set 4.1: A 17 ASN : amide:sc= -8.26! C(o=-16!,f=-27!) USER MOD Set 4.2: A 19 ASN : amide:sc= -7.72! C(o=-16!,f=-39!) USER MOD Set 5.1: A 5 HIS : no HD1:sc= -0.139 K(o=-4.7,f=-2.4) USER MOD Set 5.2: A 86 GLN : amide:sc= -3.31! K(o=-4.7!,f=-2.4) USER MOD Set 5.3: A 87 HIS : no HD1:sc= -1.22 K(o=-4.7,f=-2.4) USER MOD Single : A 6 HIS : no HD1:sc= -0.605 K(o=-0.6,f=0.06) USER MOD Single : A 9 LYS NZ :NH3+ -111:sc= 1.12 (180deg=-0.444) USER MOD Single : A 10 THR OG1 : rot -136:sc= -2.83! USER MOD Single : A 12 ASN : amide:sc= -11.9! C(o=-12!,f=-17!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -165:sc= -1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -8.08! USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -5.56! (180deg=-9.16!) USER MOD Single : A 57 CYS SG : rot -90:sc= -0.449 USER MOD Single : A 60 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 77 SER OG : rot 26:sc= 0.151 USER MOD Single : A 79 LYS NZ :NH3+ -109:sc= 0.788 (180deg=-3.99!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -170:sc= -0.214 USER MOD Single : A 92 GLN : amide:sc= -1.02 K(o=-1,f=-4.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.2) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.888 -1.876 -15.764 1.00 0.00 N ATOM 31 CA LEU A 3 92.002 -1.635 -14.294 1.00 0.00 C ATOM 32 C LEU A 3 90.825 -2.308 -13.579 1.00 0.00 C ATOM 33 O LEU A 3 89.704 -2.255 -14.039 1.00 0.00 O ATOM 34 CB LEU A 3 91.952 -0.132 -14.013 1.00 0.00 C ATOM 35 CG LEU A 3 93.120 0.575 -14.704 1.00 0.00 C ATOM 36 CD1 LEU A 3 92.795 2.059 -14.833 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.393 0.422 -13.870 1.00 0.00 C ATOM 0 HA LEU A 3 92.945 -2.046 -13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.007 0.280 -14.367 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.994 0.046 -12.938 1.00 0.00 H new ATOM 0 HG LEU A 3 93.275 0.132 -15.688 1.00 0.00 H new ATOM 0 HD11 LEU A 3 93.622 2.571 -15.325 1.00 0.00 H new ATOM 0 HD12 LEU A 3 91.888 2.183 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 3 92.642 2.485 -13.842 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.219 0.928 -14.370 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.239 0.864 -12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.630 -0.636 -13.759 1.00 0.00 H new ATOM 49 N PRO A 4 91.073 -2.928 -12.460 1.00 0.00 N ATOM 50 CA PRO A 4 90.006 -3.614 -11.676 1.00 0.00 C ATOM 51 C PRO A 4 89.032 -2.618 -11.051 1.00 0.00 C ATOM 52 O PRO A 4 88.065 -2.990 -10.419 1.00 0.00 O ATOM 53 CB PRO A 4 90.766 -4.363 -10.585 1.00 0.00 C ATOM 54 CG PRO A 4 92.069 -3.648 -10.443 1.00 0.00 C ATOM 55 CD PRO A 4 92.387 -3.037 -11.808 1.00 0.00 C ATOM 0 HA PRO A 4 89.401 -4.267 -12.305 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.211 -4.358 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.919 -5.407 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.004 -2.874 -9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.856 -4.336 -10.134 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.866 -2.063 -11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.066 -3.669 -12.380 1.00 0.00 H new ATOM 63 N HIS A 5 89.294 -1.353 -11.210 1.00 0.00 N ATOM 64 CA HIS A 5 88.401 -0.325 -10.618 1.00 0.00 C ATOM 65 C HIS A 5 87.219 -0.066 -11.557 1.00 0.00 C ATOM 66 O HIS A 5 86.215 0.492 -11.160 1.00 0.00 O ATOM 67 CB HIS A 5 89.206 0.957 -10.406 1.00 0.00 C ATOM 68 CG HIS A 5 90.370 0.656 -9.499 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.209 0.444 -8.138 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.715 0.530 -9.740 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.428 0.206 -7.618 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.381 0.247 -8.552 1.00 0.00 N ATOM 0 H HIS A 5 90.093 -0.986 -11.727 1.00 0.00 H new ATOM 0 HA HIS A 5 88.010 -0.671 -9.661 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.562 1.341 -11.362 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.576 1.730 -9.967 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.186 0.635 -10.706 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.612 0.006 -6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.382 0.102 -8.422 1.00 0.00 H new ATOM 80 N HIS A 6 87.323 -0.481 -12.794 1.00 0.00 N ATOM 81 CA HIS A 6 86.190 -0.273 -13.742 1.00 0.00 C ATOM 82 C HIS A 6 84.969 -1.030 -13.216 1.00 0.00 C ATOM 83 O HIS A 6 83.844 -0.586 -13.334 1.00 0.00 O ATOM 84 CB HIS A 6 86.557 -0.808 -15.132 1.00 0.00 C ATOM 85 CG HIS A 6 87.595 0.079 -15.770 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.308 1.367 -16.198 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.921 -0.123 -16.056 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.438 1.885 -16.713 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.451 1.019 -16.651 1.00 0.00 N ATOM 0 H HIS A 6 88.139 -0.952 -13.186 1.00 0.00 H new ATOM 0 HA HIS A 6 85.973 0.792 -13.821 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.938 -1.826 -15.050 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.667 -0.850 -15.761 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.471 -1.030 -15.851 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.515 2.880 -17.126 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.409 1.163 -16.971 1.00 0.00 H new ATOM 97 N ASP A 7 85.197 -2.178 -12.633 1.00 0.00 N ATOM 98 CA ASP A 7 84.075 -2.985 -12.088 1.00 0.00 C ATOM 99 C ASP A 7 84.079 -2.899 -10.560 1.00 0.00 C ATOM 100 O ASP A 7 85.090 -3.098 -9.913 1.00 0.00 O ATOM 101 CB ASP A 7 84.238 -4.443 -12.526 1.00 0.00 C ATOM 102 CG ASP A 7 85.562 -4.992 -11.989 1.00 0.00 C ATOM 103 OD1 ASP A 7 86.294 -4.229 -11.380 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.820 -6.166 -12.195 1.00 0.00 O ATOM 0 H ASP A 7 86.122 -2.591 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 7 83.129 -2.599 -12.466 1.00 0.00 H new ATOM 0 HB2 ASP A 7 83.406 -5.041 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.218 -4.512 -13.614 1.00 0.00 H new ATOM 109 N GLU A 8 82.952 -2.601 -9.983 1.00 0.00 N ATOM 110 CA GLU A 8 82.865 -2.489 -8.501 1.00 0.00 C ATOM 111 C GLU A 8 83.002 -3.879 -7.868 1.00 0.00 C ATOM 112 O GLU A 8 83.125 -4.018 -6.667 1.00 0.00 O ATOM 113 CB GLU A 8 81.503 -1.892 -8.134 1.00 0.00 C ATOM 114 CG GLU A 8 81.678 -0.832 -7.048 1.00 0.00 C ATOM 115 CD GLU A 8 80.445 -0.818 -6.143 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.396 -1.241 -6.598 1.00 0.00 O ATOM 117 OE2 GLU A 8 80.577 -0.391 -5.007 1.00 0.00 O ATOM 0 H GLU A 8 82.078 -2.428 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 8 83.666 -1.849 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.040 -1.449 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.834 -2.678 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 8 82.571 -1.043 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.820 0.149 -7.502 1.00 0.00 H new ATOM 124 N LYS A 9 82.974 -4.904 -8.676 1.00 0.00 N ATOM 125 CA LYS A 9 83.095 -6.300 -8.159 1.00 0.00 C ATOM 126 C LYS A 9 84.442 -6.507 -7.455 1.00 0.00 C ATOM 127 O LYS A 9 84.539 -7.228 -6.481 1.00 0.00 O ATOM 128 CB LYS A 9 82.993 -7.263 -9.346 1.00 0.00 C ATOM 129 CG LYS A 9 83.202 -8.712 -8.884 1.00 0.00 C ATOM 130 CD LYS A 9 84.183 -9.412 -9.830 1.00 0.00 C ATOM 131 CE LYS A 9 85.511 -8.653 -9.844 1.00 0.00 C ATOM 132 NZ LYS A 9 86.625 -9.632 -9.935 1.00 0.00 N ATOM 0 H LYS A 9 82.871 -4.833 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 9 82.299 -6.486 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.016 -7.164 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.739 -7.004 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.588 -8.728 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 9 82.250 -9.242 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.344 -10.441 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.766 -9.455 -10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.543 -7.966 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.611 -8.052 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 87.153 -9.642 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 86.240 -10.580 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 87.264 -9.360 -10.710 1.00 0.00 H new ATOM 146 N THR A 10 85.481 -5.912 -7.959 1.00 0.00 N ATOM 147 CA THR A 10 86.828 -6.111 -7.350 1.00 0.00 C ATOM 148 C THR A 10 86.927 -5.511 -5.931 1.00 0.00 C ATOM 149 O THR A 10 87.786 -5.893 -5.157 1.00 0.00 O ATOM 150 CB THR A 10 87.885 -5.512 -8.286 1.00 0.00 C ATOM 151 OG1 THR A 10 87.587 -4.148 -8.534 1.00 0.00 O ATOM 152 CG2 THR A 10 87.891 -6.279 -9.610 1.00 0.00 C ATOM 0 H THR A 10 85.460 -5.293 -8.770 1.00 0.00 H new ATOM 0 HA THR A 10 87.003 -7.180 -7.233 1.00 0.00 H new ATOM 0 HB THR A 10 88.865 -5.589 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.695 -3.958 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.643 -5.852 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.125 -7.327 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.909 -6.205 -10.078 1.00 0.00 H new ATOM 160 N TRP A 11 86.071 -4.595 -5.557 1.00 0.00 N ATOM 161 CA TRP A 11 86.168 -4.035 -4.169 1.00 0.00 C ATOM 162 C TRP A 11 84.787 -3.962 -3.503 1.00 0.00 C ATOM 163 O TRP A 11 84.688 -3.732 -2.316 1.00 0.00 O ATOM 164 CB TRP A 11 86.777 -2.626 -4.201 1.00 0.00 C ATOM 165 CG TRP A 11 86.542 -2.015 -5.540 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.193 -2.364 -6.662 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.618 -0.953 -5.911 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.705 -1.625 -7.717 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.738 -0.725 -7.302 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.692 -0.181 -5.186 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.965 0.237 -7.952 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.914 0.791 -5.836 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.050 0.999 -7.216 1.00 0.00 C ATOM 0 H TRP A 11 85.323 -4.215 -6.136 1.00 0.00 H new ATOM 0 HA TRP A 11 86.808 -4.702 -3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.330 -2.007 -3.423 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.846 -2.675 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.975 -3.106 -6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.017 -1.728 -8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.579 -0.337 -4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.072 0.393 -9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.208 1.381 -5.270 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.449 1.747 -7.711 1.00 0.00 H new ATOM 184 N ASN A 12 83.720 -4.126 -4.240 1.00 0.00 N ATOM 185 CA ASN A 12 82.371 -4.024 -3.601 1.00 0.00 C ATOM 186 C ASN A 12 81.829 -5.397 -3.212 1.00 0.00 C ATOM 187 O ASN A 12 81.740 -6.308 -4.008 1.00 0.00 O ATOM 188 CB ASN A 12 81.394 -3.333 -4.551 1.00 0.00 C ATOM 189 CG ASN A 12 80.890 -4.319 -5.606 1.00 0.00 C ATOM 190 OD1 ASN A 12 81.521 -5.318 -5.870 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.770 -4.072 -6.231 1.00 0.00 N ATOM 0 H ASN A 12 83.720 -4.323 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 12 82.477 -3.433 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 12 80.552 -2.931 -3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.884 -2.489 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.428 -4.720 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.237 -3.231 -6.010 1.00 0.00 H new ATOM 198 N VAL A 13 81.445 -5.531 -1.978 1.00 0.00 N ATOM 199 CA VAL A 13 80.885 -6.812 -1.496 1.00 0.00 C ATOM 200 C VAL A 13 79.816 -6.496 -0.448 1.00 0.00 C ATOM 201 O VAL A 13 79.637 -7.209 0.516 1.00 0.00 O ATOM 202 CB VAL A 13 82.002 -7.647 -0.875 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.103 -7.883 -1.913 1.00 0.00 C ATOM 204 CG2 VAL A 13 82.594 -6.908 0.324 1.00 0.00 C ATOM 0 H VAL A 13 81.497 -4.794 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 13 80.443 -7.376 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 13 81.593 -8.603 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.900 -8.479 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.688 -8.413 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.506 -6.925 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.391 -7.508 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.999 -5.950 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.815 -6.738 1.067 1.00 0.00 H new ATOM 214 N GLY A 14 79.113 -5.412 -0.634 1.00 0.00 N ATOM 215 CA GLY A 14 78.060 -5.016 0.351 1.00 0.00 C ATOM 216 C GLY A 14 77.190 -6.222 0.698 1.00 0.00 C ATOM 217 O GLY A 14 76.734 -6.365 1.815 1.00 0.00 O ATOM 0 H GLY A 14 79.221 -4.780 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.525 -4.621 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.443 -4.219 -0.064 1.00 0.00 H new ATOM 221 N SER A 15 76.957 -7.092 -0.240 1.00 0.00 N ATOM 222 CA SER A 15 76.116 -8.283 0.053 1.00 0.00 C ATOM 223 C SER A 15 76.845 -9.192 1.053 1.00 0.00 C ATOM 224 O SER A 15 76.270 -10.112 1.601 1.00 0.00 O ATOM 225 CB SER A 15 75.857 -9.042 -1.247 1.00 0.00 C ATOM 226 OG SER A 15 77.076 -9.609 -1.705 1.00 0.00 O ATOM 0 H SER A 15 77.311 -7.031 -1.195 1.00 0.00 H new ATOM 0 HA SER A 15 75.166 -7.969 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 15 75.116 -9.825 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 15 75.449 -8.369 -2.001 1.00 0.00 H new ATOM 0 HG SER A 15 76.916 -10.099 -2.538 1.00 0.00 H new ATOM 232 N SER A 16 78.107 -8.946 1.287 1.00 0.00 N ATOM 233 CA SER A 16 78.878 -9.799 2.243 1.00 0.00 C ATOM 234 C SER A 16 78.586 -9.390 3.695 1.00 0.00 C ATOM 235 O SER A 16 78.446 -8.223 4.005 1.00 0.00 O ATOM 236 CB SER A 16 80.372 -9.624 1.971 1.00 0.00 C ATOM 237 OG SER A 16 80.693 -10.201 0.712 1.00 0.00 O ATOM 0 H SER A 16 78.640 -8.190 0.857 1.00 0.00 H new ATOM 0 HA SER A 16 78.581 -10.838 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.632 -8.566 1.975 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.955 -10.099 2.760 1.00 0.00 H new ATOM 0 HG SER A 16 81.665 -10.306 0.638 1.00 0.00 H new ATOM 243 N ASN A 17 78.514 -10.348 4.588 1.00 0.00 N ATOM 244 CA ASN A 17 78.251 -10.035 6.026 1.00 0.00 C ATOM 245 C ASN A 17 79.553 -9.574 6.700 1.00 0.00 C ATOM 246 O ASN A 17 80.639 -9.869 6.241 1.00 0.00 O ATOM 247 CB ASN A 17 77.698 -11.282 6.729 1.00 0.00 C ATOM 248 CG ASN A 17 78.503 -12.513 6.312 1.00 0.00 C ATOM 249 OD1 ASN A 17 79.531 -12.394 5.681 1.00 0.00 O ATOM 250 ND2 ASN A 17 78.071 -13.701 6.645 1.00 0.00 N ATOM 0 H ASN A 17 78.627 -11.340 4.379 1.00 0.00 H new ATOM 0 HA ASN A 17 77.516 -9.234 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.748 -11.153 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 17 76.648 -11.419 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 78.599 -14.530 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.206 -13.799 7.176 1.00 0.00 H new ATOM 257 N ARG A 18 79.451 -8.830 7.774 1.00 0.00 N ATOM 258 CA ARG A 18 80.681 -8.330 8.457 1.00 0.00 C ATOM 259 C ARG A 18 81.510 -9.497 9.003 1.00 0.00 C ATOM 260 O ARG A 18 82.722 -9.470 8.972 1.00 0.00 O ATOM 261 CB ARG A 18 80.300 -7.388 9.603 1.00 0.00 C ATOM 262 CG ARG A 18 79.740 -6.085 9.023 1.00 0.00 C ATOM 263 CD ARG A 18 79.840 -4.979 10.071 1.00 0.00 C ATOM 264 NE ARG A 18 79.200 -5.441 11.329 1.00 0.00 N ATOM 265 CZ ARG A 18 79.401 -4.788 12.437 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.105 -3.689 12.428 1.00 0.00 N ATOM 267 NH2 ARG A 18 78.888 -5.227 13.551 1.00 0.00 N ATOM 0 H ARG A 18 78.571 -8.549 8.205 1.00 0.00 H new ATOM 0 HA ARG A 18 81.281 -7.787 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.558 -7.861 10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.172 -7.179 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.295 -5.804 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.701 -6.224 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 18 80.885 -4.726 10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.351 -4.074 9.711 1.00 0.00 H new ATOM 0 HE ARG A 18 78.604 -6.269 11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 18 80.498 -3.342 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 18 80.263 -3.177 13.296 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.330 -6.081 13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.044 -4.717 14.420 1.00 0.00 H new ATOM 281 N ASN A 19 80.887 -10.523 9.501 1.00 0.00 N ATOM 282 CA ASN A 19 81.689 -11.658 10.034 1.00 0.00 C ATOM 283 C ASN A 19 82.591 -12.192 8.913 1.00 0.00 C ATOM 284 O ASN A 19 83.768 -12.440 9.112 1.00 0.00 O ATOM 285 CB ASN A 19 80.752 -12.761 10.529 1.00 0.00 C ATOM 286 CG ASN A 19 79.949 -13.309 9.351 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.896 -12.696 8.308 1.00 0.00 O ATOM 288 ND2 ASN A 19 79.320 -14.446 9.475 1.00 0.00 N ATOM 0 H ASN A 19 79.874 -10.627 9.563 1.00 0.00 H new ATOM 0 HA ASN A 19 82.304 -11.323 10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 19 81.328 -13.561 10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.079 -12.367 11.291 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.783 -14.820 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.366 -14.961 10.354 1.00 0.00 H new ATOM 295 N LYS A 20 82.063 -12.344 7.725 1.00 0.00 N ATOM 296 CA LYS A 20 82.909 -12.837 6.601 1.00 0.00 C ATOM 297 C LYS A 20 83.968 -11.774 6.294 1.00 0.00 C ATOM 298 O LYS A 20 85.067 -12.082 5.877 1.00 0.00 O ATOM 299 CB LYS A 20 82.048 -13.087 5.359 1.00 0.00 C ATOM 300 CG LYS A 20 82.902 -13.733 4.261 1.00 0.00 C ATOM 301 CD LYS A 20 82.026 -14.012 3.034 1.00 0.00 C ATOM 302 CE LYS A 20 82.513 -15.272 2.309 1.00 0.00 C ATOM 303 NZ LYS A 20 81.547 -15.623 1.227 1.00 0.00 N ATOM 0 H LYS A 20 81.090 -12.149 7.488 1.00 0.00 H new ATOM 0 HA LYS A 20 83.386 -13.776 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 20 81.209 -13.736 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.627 -12.147 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 20 83.727 -13.073 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 20 83.342 -14.661 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.988 -14.139 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 20 82.056 -13.159 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 20 83.504 -15.103 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.604 -16.099 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.875 -16.478 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.610 -15.801 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.482 -14.836 0.551 1.00 0.00 H new ATOM 317 N ALA A 21 83.647 -10.522 6.504 1.00 0.00 N ATOM 318 CA ALA A 21 84.637 -9.443 6.232 1.00 0.00 C ATOM 319 C ALA A 21 85.867 -9.667 7.115 1.00 0.00 C ATOM 320 O ALA A 21 86.987 -9.472 6.690 1.00 0.00 O ATOM 321 CB ALA A 21 84.025 -8.070 6.544 1.00 0.00 C ATOM 0 H ALA A 21 82.742 -10.204 6.852 1.00 0.00 H new ATOM 0 HA ALA A 21 84.921 -9.469 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.759 -7.290 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.146 -7.913 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.735 -8.031 7.594 1.00 0.00 H new ATOM 327 N GLU A 22 85.673 -10.090 8.340 1.00 0.00 N ATOM 328 CA GLU A 22 86.845 -10.336 9.231 1.00 0.00 C ATOM 329 C GLU A 22 87.734 -11.382 8.570 1.00 0.00 C ATOM 330 O GLU A 22 88.928 -11.213 8.462 1.00 0.00 O ATOM 331 CB GLU A 22 86.373 -10.873 10.585 1.00 0.00 C ATOM 332 CG GLU A 22 85.677 -9.768 11.380 1.00 0.00 C ATOM 333 CD GLU A 22 85.169 -10.343 12.704 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.282 -11.544 12.886 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.680 -9.574 13.514 1.00 0.00 O ATOM 0 H GLU A 22 84.761 -10.274 8.757 1.00 0.00 H new ATOM 0 HA GLU A 22 87.389 -9.405 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.689 -11.708 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.224 -11.256 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.370 -8.948 11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.846 -9.358 10.805 1.00 0.00 H new ATOM 342 N ASN A 23 87.156 -12.453 8.107 1.00 0.00 N ATOM 343 CA ASN A 23 87.969 -13.495 7.431 1.00 0.00 C ATOM 344 C ASN A 23 88.636 -12.849 6.222 1.00 0.00 C ATOM 345 O ASN A 23 89.805 -13.047 5.957 1.00 0.00 O ATOM 346 CB ASN A 23 87.059 -14.630 6.952 1.00 0.00 C ATOM 347 CG ASN A 23 86.530 -15.416 8.154 1.00 0.00 C ATOM 348 OD1 ASN A 23 87.023 -15.274 9.257 1.00 0.00 O ATOM 349 ND2 ASN A 23 85.537 -16.244 7.985 1.00 0.00 N ATOM 0 H ASN A 23 86.157 -12.650 8.168 1.00 0.00 H new ATOM 0 HA ASN A 23 88.712 -13.901 8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 23 86.227 -14.223 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.611 -15.294 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 85.173 -16.773 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 23 85.124 -16.363 7.060 1.00 0.00 H new ATOM 356 N LEU A 24 87.893 -12.059 5.492 1.00 0.00 N ATOM 357 CA LEU A 24 88.469 -11.379 4.305 1.00 0.00 C ATOM 358 C LEU A 24 89.527 -10.376 4.776 1.00 0.00 C ATOM 359 O LEU A 24 90.541 -10.187 4.142 1.00 0.00 O ATOM 360 CB LEU A 24 87.361 -10.634 3.558 1.00 0.00 C ATOM 361 CG LEU A 24 86.381 -11.638 2.940 1.00 0.00 C ATOM 362 CD1 LEU A 24 85.185 -10.889 2.348 1.00 0.00 C ATOM 363 CD2 LEU A 24 87.081 -12.424 1.829 1.00 0.00 C ATOM 0 H LEU A 24 86.909 -11.858 5.671 1.00 0.00 H new ATOM 0 HA LEU A 24 88.922 -12.114 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.832 -9.970 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.794 -10.008 2.778 1.00 0.00 H new ATOM 0 HG LEU A 24 86.038 -12.325 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.489 -11.604 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.681 -10.328 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.532 -10.200 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.382 -13.137 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.427 -11.735 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.934 -12.961 2.245 1.00 0.00 H new ATOM 375 N LEU A 25 89.292 -9.734 5.891 1.00 0.00 N ATOM 376 CA LEU A 25 90.276 -8.743 6.413 1.00 0.00 C ATOM 377 C LEU A 25 91.287 -9.454 7.319 1.00 0.00 C ATOM 378 O LEU A 25 92.258 -8.872 7.755 1.00 0.00 O ATOM 379 CB LEU A 25 89.544 -7.662 7.225 1.00 0.00 C ATOM 380 CG LEU A 25 88.709 -6.764 6.301 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.495 -6.253 7.069 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.536 -5.554 5.847 1.00 0.00 C ATOM 0 H LEU A 25 88.457 -9.855 6.464 1.00 0.00 H new ATOM 0 HA LEU A 25 90.795 -8.279 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.897 -8.132 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.268 -7.057 7.771 1.00 0.00 H new ATOM 0 HG LEU A 25 88.401 -7.343 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.896 -5.614 6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.893 -7.098 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.827 -5.681 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.932 -4.926 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.846 -4.978 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.418 -5.898 5.307 1.00 0.00 H new ATOM 394 N ARG A 26 91.066 -10.706 7.613 1.00 0.00 N ATOM 395 CA ARG A 26 92.017 -11.439 8.495 1.00 0.00 C ATOM 396 C ARG A 26 93.003 -12.221 7.646 1.00 0.00 C ATOM 397 O ARG A 26 94.117 -12.492 8.045 1.00 0.00 O ATOM 398 CB ARG A 26 91.243 -12.376 9.433 1.00 0.00 C ATOM 399 CG ARG A 26 90.599 -11.558 10.554 1.00 0.00 C ATOM 400 CD ARG A 26 91.611 -11.352 11.684 1.00 0.00 C ATOM 401 NE ARG A 26 91.630 -12.554 12.566 1.00 0.00 N ATOM 402 CZ ARG A 26 92.607 -12.717 13.417 1.00 0.00 C ATOM 403 NH1 ARG A 26 93.566 -11.835 13.482 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.633 -13.764 14.195 1.00 0.00 N ATOM 0 H ARG A 26 90.270 -11.252 7.282 1.00 0.00 H new ATOM 0 HA ARG A 26 92.572 -10.725 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.477 -12.915 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.916 -13.123 9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.266 -10.594 10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.716 -12.072 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 26 92.604 -11.178 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.348 -10.467 12.264 1.00 0.00 H new ATOM 0 HE ARG A 26 90.883 -13.246 12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 26 93.552 -11.020 12.869 1.00 0.00 H new ATOM 0 HH12 ARG A 26 94.330 -11.960 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 26 91.888 -14.459 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 26 93.398 -13.888 14.858 1.00 0.00 H new ATOM 418 N GLY A 27 92.601 -12.562 6.471 1.00 0.00 N ATOM 419 CA GLY A 27 93.502 -13.307 5.554 1.00 0.00 C ATOM 420 C GLY A 27 94.053 -12.324 4.532 1.00 0.00 C ATOM 421 O GLY A 27 94.663 -12.702 3.553 1.00 0.00 O ATOM 0 H GLY A 27 91.676 -12.358 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 27 94.315 -13.771 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 27 92.959 -14.110 5.056 1.00 0.00 H new ATOM 425 N LYS A 28 93.835 -11.057 4.750 1.00 0.00 N ATOM 426 CA LYS A 28 94.340 -10.051 3.784 1.00 0.00 C ATOM 427 C LYS A 28 95.408 -9.176 4.431 1.00 0.00 C ATOM 428 O LYS A 28 95.328 -8.810 5.586 1.00 0.00 O ATOM 429 CB LYS A 28 93.183 -9.187 3.282 1.00 0.00 C ATOM 430 CG LYS A 28 92.348 -9.985 2.271 1.00 0.00 C ATOM 431 CD LYS A 28 93.015 -9.931 0.889 1.00 0.00 C ATOM 432 CE LYS A 28 93.473 -11.329 0.480 1.00 0.00 C ATOM 433 NZ LYS A 28 93.771 -11.343 -0.981 1.00 0.00 N ATOM 0 H LYS A 28 93.331 -10.679 5.552 1.00 0.00 H new ATOM 0 HA LYS A 28 94.789 -10.572 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.559 -8.875 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.568 -8.280 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.254 -11.020 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.339 -9.576 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.314 -9.538 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.867 -9.252 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 28 94.360 -11.614 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.698 -12.060 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 94.083 -12.294 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.914 -11.088 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 94.524 -10.656 -1.188 1.00 0.00 H new ATOM 447 N ARG A 29 96.417 -8.851 3.677 1.00 0.00 N ATOM 448 CA ARG A 29 97.524 -8.008 4.199 1.00 0.00 C ATOM 449 C ARG A 29 97.161 -6.530 4.072 1.00 0.00 C ATOM 450 O ARG A 29 96.207 -6.166 3.418 1.00 0.00 O ATOM 451 CB ARG A 29 98.788 -8.294 3.392 1.00 0.00 C ATOM 452 CG ARG A 29 99.192 -9.749 3.611 1.00 0.00 C ATOM 453 CD ARG A 29 100.440 -10.061 2.793 1.00 0.00 C ATOM 454 NE ARG A 29 100.743 -11.515 2.909 1.00 0.00 N ATOM 455 CZ ARG A 29 101.573 -12.075 2.077 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.106 -11.374 1.114 1.00 0.00 N ATOM 457 NH2 ARG A 29 101.865 -13.339 2.199 1.00 0.00 N ATOM 0 H ARG A 29 96.523 -9.139 2.704 1.00 0.00 H new ATOM 0 HA ARG A 29 97.693 -8.241 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.610 -8.107 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.593 -7.628 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.384 -9.929 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.378 -10.411 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.283 -9.791 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.283 -9.471 3.152 1.00 0.00 H new ATOM 0 HE ARG A 29 100.300 -12.072 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.872 -10.386 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 29 102.756 -11.814 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.443 -13.890 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 29 102.515 -13.777 1.547 1.00 0.00 H new ATOM 471 N ASP A 30 97.922 -5.677 4.693 1.00 0.00 N ATOM 472 CA ASP A 30 97.635 -4.219 4.614 1.00 0.00 C ATOM 473 C ASP A 30 97.601 -3.779 3.151 1.00 0.00 C ATOM 474 O ASP A 30 98.370 -4.242 2.336 1.00 0.00 O ATOM 475 CB ASP A 30 98.734 -3.451 5.353 1.00 0.00 C ATOM 476 CG ASP A 30 98.421 -1.955 5.342 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.414 -1.584 4.766 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.201 -1.204 5.903 1.00 0.00 O ATOM 0 H ASP A 30 98.735 -5.927 5.255 1.00 0.00 H new ATOM 0 HA ASP A 30 96.668 -4.012 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.811 -3.808 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.699 -3.633 4.879 1.00 0.00 H new ATOM 483 N GLY A 31 96.710 -2.892 2.814 1.00 0.00 N ATOM 484 CA GLY A 31 96.627 -2.424 1.403 1.00 0.00 C ATOM 485 C GLY A 31 95.376 -3.000 0.740 1.00 0.00 C ATOM 486 O GLY A 31 94.783 -2.387 -0.123 1.00 0.00 O ATOM 0 H GLY A 31 96.036 -2.471 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.597 -1.335 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.516 -2.734 0.854 1.00 0.00 H new ATOM 490 N THR A 32 94.971 -4.173 1.132 1.00 0.00 N ATOM 491 CA THR A 32 93.759 -4.783 0.523 1.00 0.00 C ATOM 492 C THR A 32 92.516 -4.301 1.267 1.00 0.00 C ATOM 493 O THR A 32 92.424 -4.419 2.471 1.00 0.00 O ATOM 494 CB THR A 32 93.858 -6.298 0.656 1.00 0.00 C ATOM 495 OG1 THR A 32 95.011 -6.765 -0.030 1.00 0.00 O ATOM 496 CG2 THR A 32 92.602 -6.956 0.079 1.00 0.00 C ATOM 0 H THR A 32 95.427 -4.737 1.849 1.00 0.00 H new ATOM 0 HA THR A 32 93.689 -4.497 -0.526 1.00 0.00 H new ATOM 0 HB THR A 32 93.940 -6.560 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.914 -7.722 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.680 -8.039 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.725 -6.605 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.505 -6.694 -0.975 1.00 0.00 H new ATOM 504 N PHE A 33 91.543 -3.781 0.575 1.00 0.00 N ATOM 505 CA PHE A 33 90.315 -3.330 1.287 1.00 0.00 C ATOM 506 C PHE A 33 89.084 -3.704 0.478 1.00 0.00 C ATOM 507 O PHE A 33 89.171 -4.158 -0.647 1.00 0.00 O ATOM 508 CB PHE A 33 90.328 -1.813 1.500 1.00 0.00 C ATOM 509 CG PHE A 33 89.634 -1.118 0.351 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.050 -1.348 -0.962 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.566 -0.243 0.600 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.401 -0.707 -2.021 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.922 0.397 -0.469 1.00 0.00 C ATOM 514 CZ PHE A 33 88.339 0.163 -1.773 1.00 0.00 C ATOM 0 H PHE A 33 91.542 -3.650 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 33 90.289 -3.822 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 33 89.830 -1.566 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.356 -1.459 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.872 -2.020 -1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.240 -0.062 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.723 -0.886 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.101 1.072 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.841 0.655 -2.595 1.00 0.00 H new ATOM 524 N LEU A 34 87.941 -3.507 1.050 1.00 0.00 N ATOM 525 CA LEU A 34 86.683 -3.835 0.335 1.00 0.00 C ATOM 526 C LEU A 34 85.657 -2.742 0.614 1.00 0.00 C ATOM 527 O LEU A 34 85.855 -1.896 1.462 1.00 0.00 O ATOM 528 CB LEU A 34 86.160 -5.180 0.827 1.00 0.00 C ATOM 529 CG LEU A 34 86.019 -5.130 2.343 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.915 -6.091 2.784 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.346 -5.539 2.983 1.00 0.00 C ATOM 0 H LEU A 34 87.819 -3.130 1.990 1.00 0.00 H new ATOM 0 HA LEU A 34 86.866 -3.896 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.197 -5.402 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.843 -5.979 0.538 1.00 0.00 H new ATOM 0 HG LEU A 34 85.760 -4.119 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.814 -6.056 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.972 -5.799 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 34 85.171 -7.105 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 87.252 -5.505 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.603 -6.552 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.130 -4.852 2.665 1.00 0.00 H new ATOM 543 N VAL A 35 84.567 -2.743 -0.095 1.00 0.00 N ATOM 544 CA VAL A 35 83.545 -1.695 0.134 1.00 0.00 C ATOM 545 C VAL A 35 82.227 -2.348 0.545 1.00 0.00 C ATOM 546 O VAL A 35 81.778 -3.302 -0.060 1.00 0.00 O ATOM 547 CB VAL A 35 83.362 -0.882 -1.144 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.194 0.089 -0.969 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.646 -0.093 -1.414 1.00 0.00 C ATOM 0 H VAL A 35 84.341 -3.423 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 35 83.869 -1.029 0.934 1.00 0.00 H new ATOM 0 HB VAL A 35 83.152 -1.548 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.064 0.670 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.282 -0.472 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.402 0.762 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.528 0.493 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.845 0.575 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.480 -0.785 -1.533 1.00 0.00 H new ATOM 559 N ARG A 36 81.606 -1.844 1.575 1.00 0.00 N ATOM 560 CA ARG A 36 80.324 -2.442 2.029 1.00 0.00 C ATOM 561 C ARG A 36 79.409 -1.333 2.524 1.00 0.00 C ATOM 562 O ARG A 36 79.556 -0.185 2.147 1.00 0.00 O ATOM 563 CB ARG A 36 80.593 -3.433 3.159 1.00 0.00 C ATOM 564 CG ARG A 36 81.310 -4.652 2.596 1.00 0.00 C ATOM 565 CD ARG A 36 81.531 -5.665 3.716 1.00 0.00 C ATOM 566 NE ARG A 36 80.258 -5.843 4.462 1.00 0.00 N ATOM 567 CZ ARG A 36 80.106 -6.856 5.261 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.069 -7.726 5.395 1.00 0.00 N ATOM 569 NH2 ARG A 36 78.986 -7.000 5.919 1.00 0.00 N ATOM 0 H ARG A 36 81.932 -1.045 2.120 1.00 0.00 H new ATOM 0 HA ARG A 36 79.848 -2.968 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 36 81.201 -2.964 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 36 79.655 -3.732 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 36 80.720 -5.099 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 36 82.265 -4.358 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.862 -6.618 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.316 -5.319 4.388 1.00 0.00 H new ATOM 0 HE ARG A 36 79.502 -5.168 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.938 -7.610 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 36 80.953 -8.523 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 36 78.236 -6.319 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 36 78.862 -7.794 6.547 1.00 0.00 H new ATOM 583 N GLU A 37 78.463 -1.647 3.365 1.00 0.00 N ATOM 584 CA GLU A 37 77.565 -0.583 3.854 1.00 0.00 C ATOM 585 C GLU A 37 77.900 -0.300 5.313 1.00 0.00 C ATOM 586 O GLU A 37 78.656 -1.020 5.933 1.00 0.00 O ATOM 587 CB GLU A 37 76.109 -1.047 3.752 1.00 0.00 C ATOM 588 CG GLU A 37 75.826 -1.567 2.341 1.00 0.00 C ATOM 589 CD GLU A 37 76.015 -0.435 1.329 1.00 0.00 C ATOM 590 OE1 GLU A 37 75.793 0.706 1.697 1.00 0.00 O ATOM 591 OE2 GLU A 37 76.374 -0.731 0.201 1.00 0.00 O ATOM 0 H GLU A 37 78.280 -2.583 3.727 1.00 0.00 H new ATOM 0 HA GLU A 37 77.696 0.317 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.916 -1.832 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.438 -0.221 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.496 -2.394 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 37 74.809 -1.955 2.283 1.00 0.00 H new ATOM 677 N TYR A 44 77.326 4.184 3.434 1.00 0.00 N ATOM 678 CA TYR A 44 78.375 3.312 2.831 1.00 0.00 C ATOM 679 C TYR A 44 79.575 3.205 3.782 1.00 0.00 C ATOM 680 O TYR A 44 79.828 4.090 4.575 1.00 0.00 O ATOM 681 CB TYR A 44 78.835 3.922 1.503 1.00 0.00 C ATOM 682 CG TYR A 44 77.807 3.655 0.432 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.741 4.544 0.240 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.922 2.518 -0.374 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.793 4.292 -0.760 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.975 2.267 -1.373 1.00 0.00 C ATOM 687 CZ TYR A 44 75.909 3.154 -1.565 1.00 0.00 C ATOM 688 OH TYR A 44 74.976 2.907 -2.549 1.00 0.00 O ATOM 0 HA TYR A 44 77.963 2.318 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.983 4.996 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.796 3.498 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.650 5.422 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.743 1.832 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.972 4.977 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 44 77.066 1.389 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 44 75.205 2.077 -3.016 1.00 0.00 H new ATOM 698 N ALA A 45 80.327 2.138 3.696 1.00 0.00 N ATOM 699 CA ALA A 45 81.522 1.990 4.576 1.00 0.00 C ATOM 700 C ALA A 45 82.481 0.975 3.949 1.00 0.00 C ATOM 701 O ALA A 45 82.073 -0.075 3.491 1.00 0.00 O ATOM 702 CB ALA A 45 81.097 1.514 5.970 1.00 0.00 C ATOM 0 H ALA A 45 80.164 1.363 3.053 1.00 0.00 H new ATOM 0 HA ALA A 45 82.020 2.954 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 45 81.978 1.410 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.417 2.242 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.593 0.551 5.888 1.00 0.00 H new ATOM 708 N CYS A 46 83.749 1.280 3.925 1.00 0.00 N ATOM 709 CA CYS A 46 84.732 0.334 3.329 1.00 0.00 C ATOM 710 C CYS A 46 85.665 -0.152 4.426 1.00 0.00 C ATOM 711 O CYS A 46 86.073 0.604 5.283 1.00 0.00 O ATOM 712 CB CYS A 46 85.559 1.038 2.242 1.00 0.00 C ATOM 713 SG CYS A 46 84.482 2.096 1.246 1.00 0.00 S ATOM 0 H CYS A 46 84.147 2.144 4.293 1.00 0.00 H new ATOM 0 HA CYS A 46 84.199 -0.504 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.348 1.635 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.047 0.299 1.607 1.00 0.00 H new ATOM 0 HG CYS A 46 85.186 2.691 0.329 1.00 0.00 H new ATOM 719 N SER A 47 86.004 -1.399 4.410 1.00 0.00 N ATOM 720 CA SER A 47 86.915 -1.921 5.462 1.00 0.00 C ATOM 721 C SER A 47 88.292 -2.210 4.863 1.00 0.00 C ATOM 722 O SER A 47 88.410 -2.817 3.817 1.00 0.00 O ATOM 723 CB SER A 47 86.338 -3.197 6.059 1.00 0.00 C ATOM 724 OG SER A 47 87.238 -3.684 7.041 1.00 0.00 O ATOM 0 H SER A 47 85.694 -2.082 3.719 1.00 0.00 H new ATOM 0 HA SER A 47 87.016 -1.171 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.363 -2.999 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.187 -3.945 5.280 1.00 0.00 H new ATOM 0 HG SER A 47 87.043 -3.259 7.902 1.00 0.00 H new ATOM 730 N VAL A 48 89.337 -1.779 5.522 1.00 0.00 N ATOM 731 CA VAL A 48 90.704 -2.031 4.988 1.00 0.00 C ATOM 732 C VAL A 48 91.590 -2.632 6.068 1.00 0.00 C ATOM 733 O VAL A 48 91.372 -2.455 7.248 1.00 0.00 O ATOM 734 CB VAL A 48 91.358 -0.723 4.557 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.387 0.246 5.743 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.791 -1.011 4.103 1.00 0.00 C ATOM 0 H VAL A 48 89.301 -1.266 6.403 1.00 0.00 H new ATOM 0 HA VAL A 48 90.603 -2.711 4.142 1.00 0.00 H new ATOM 0 HB VAL A 48 90.792 -0.278 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 48 91.854 1.182 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.368 0.442 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 48 91.959 -0.195 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.268 -0.081 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.353 -1.449 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.774 -1.708 3.265 1.00 0.00 H new ATOM 746 N VAL A 49 92.620 -3.300 5.660 1.00 0.00 N ATOM 747 CA VAL A 49 93.571 -3.883 6.644 1.00 0.00 C ATOM 748 C VAL A 49 94.771 -2.947 6.744 1.00 0.00 C ATOM 749 O VAL A 49 95.284 -2.484 5.746 1.00 0.00 O ATOM 750 CB VAL A 49 94.051 -5.253 6.171 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.078 -5.794 7.164 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.867 -6.219 6.075 1.00 0.00 C ATOM 0 H VAL A 49 92.851 -3.472 4.681 1.00 0.00 H new ATOM 0 HA VAL A 49 93.079 -3.998 7.610 1.00 0.00 H new ATOM 0 HB VAL A 49 94.507 -5.157 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.425 -6.773 6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.924 -5.109 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.619 -5.887 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.219 -7.194 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.401 -6.322 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.137 -5.830 5.365 1.00 0.00 H new ATOM 762 N VAL A 50 95.228 -2.650 7.925 1.00 0.00 N ATOM 763 CA VAL A 50 96.390 -1.734 8.040 1.00 0.00 C ATOM 764 C VAL A 50 97.534 -2.438 8.771 1.00 0.00 C ATOM 765 O VAL A 50 97.329 -3.310 9.595 1.00 0.00 O ATOM 766 CB VAL A 50 95.970 -0.464 8.787 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.197 0.406 9.066 1.00 0.00 C ATOM 768 CG2 VAL A 50 94.978 0.333 7.936 1.00 0.00 C ATOM 0 H VAL A 50 94.852 -2.998 8.807 1.00 0.00 H new ATOM 0 HA VAL A 50 96.736 -1.455 7.045 1.00 0.00 H new ATOM 0 HB VAL A 50 95.502 -0.749 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.891 1.307 9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.907 -0.152 9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.668 0.683 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 94.682 1.235 8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 50 95.448 0.609 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.097 -0.277 7.738 1.00 0.00 H new ATOM 778 N ASP A 51 98.738 -2.060 8.452 1.00 0.00 N ATOM 779 CA ASP A 51 99.939 -2.683 9.075 1.00 0.00 C ATOM 780 C ASP A 51 99.754 -2.763 10.574 1.00 0.00 C ATOM 781 O ASP A 51 100.422 -3.511 11.264 1.00 0.00 O ATOM 782 CB ASP A 51 101.153 -1.811 8.766 1.00 0.00 C ATOM 783 CG ASP A 51 102.422 -2.487 9.287 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.899 -3.397 8.630 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.897 -2.081 10.335 1.00 0.00 O ATOM 0 H ASP A 51 98.946 -1.330 7.771 1.00 0.00 H new ATOM 0 HA ASP A 51 100.082 -3.688 8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.232 -1.649 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.036 -0.831 9.229 1.00 0.00 H new ATOM 790 N GLY A 52 98.859 -1.996 11.080 1.00 0.00 N ATOM 791 CA GLY A 52 98.618 -2.013 12.538 1.00 0.00 C ATOM 792 C GLY A 52 97.511 -3.009 12.859 1.00 0.00 C ATOM 793 O GLY A 52 97.689 -3.911 13.653 1.00 0.00 O ATOM 0 H GLY A 52 98.275 -1.350 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.532 -2.287 13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.337 -1.018 12.882 1.00 0.00 H new ATOM 797 N GLU A 53 96.363 -2.850 12.263 1.00 0.00 N ATOM 798 CA GLU A 53 95.251 -3.796 12.563 1.00 0.00 C ATOM 799 C GLU A 53 94.157 -3.688 11.501 1.00 0.00 C ATOM 800 O GLU A 53 94.270 -2.942 10.549 1.00 0.00 O ATOM 801 CB GLU A 53 94.676 -3.462 13.936 1.00 0.00 C ATOM 802 CG GLU A 53 94.246 -1.995 13.964 1.00 0.00 C ATOM 803 CD GLU A 53 93.695 -1.650 15.345 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.249 -2.558 16.024 1.00 0.00 O ATOM 805 OE2 GLU A 53 93.727 -0.485 15.700 1.00 0.00 O ATOM 0 H GLU A 53 96.147 -2.116 11.589 1.00 0.00 H new ATOM 0 HA GLU A 53 95.634 -4.817 12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 93.824 -4.106 14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.421 -3.649 14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.094 -1.352 13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.487 -1.813 13.203 1.00 0.00 H new ATOM 812 N VAL A 54 93.083 -4.409 11.671 1.00 0.00 N ATOM 813 CA VAL A 54 91.972 -4.320 10.687 1.00 0.00 C ATOM 814 C VAL A 54 91.041 -3.178 11.098 1.00 0.00 C ATOM 815 O VAL A 54 90.723 -3.018 12.262 1.00 0.00 O ATOM 816 CB VAL A 54 91.198 -5.637 10.652 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.913 -5.438 9.847 1.00 0.00 C ATOM 818 CG2 VAL A 54 92.067 -6.711 9.988 1.00 0.00 C ATOM 0 H VAL A 54 92.929 -5.053 12.447 1.00 0.00 H new ATOM 0 HA VAL A 54 92.375 -4.128 9.693 1.00 0.00 H new ATOM 0 HB VAL A 54 90.946 -5.952 11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.354 -6.373 9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.304 -4.666 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.164 -5.132 8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.521 -7.654 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.313 -6.403 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.986 -6.841 10.560 1.00 0.00 H new ATOM 828 N LYS A 55 90.618 -2.365 10.167 1.00 0.00 N ATOM 829 CA LYS A 55 89.728 -1.223 10.539 1.00 0.00 C ATOM 830 C LYS A 55 88.530 -1.123 9.597 1.00 0.00 C ATOM 831 O LYS A 55 88.558 -1.589 8.475 1.00 0.00 O ATOM 832 CB LYS A 55 90.527 0.078 10.472 1.00 0.00 C ATOM 833 CG LYS A 55 91.700 0.002 11.450 1.00 0.00 C ATOM 834 CD LYS A 55 93.007 0.033 10.661 1.00 0.00 C ATOM 835 CE LYS A 55 94.195 0.120 11.622 1.00 0.00 C ATOM 836 NZ LYS A 55 95.162 1.143 11.125 1.00 0.00 N ATOM 0 H LYS A 55 90.846 -2.439 9.176 1.00 0.00 H new ATOM 0 HA LYS A 55 89.357 -1.393 11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.894 0.241 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 55 89.887 0.925 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 55 91.662 0.837 12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.639 -0.912 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.091 -0.862 10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.013 0.887 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.850 0.385 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.684 -0.851 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 96.131 0.773 11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.955 1.361 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 95.075 2.009 11.695 1.00 0.00 H new ATOM 850 N HIS A 56 87.481 -0.496 10.057 1.00 0.00 N ATOM 851 CA HIS A 56 86.267 -0.330 9.214 1.00 0.00 C ATOM 852 C HIS A 56 86.085 1.153 8.889 1.00 0.00 C ATOM 853 O HIS A 56 85.547 1.911 9.672 1.00 0.00 O ATOM 854 CB HIS A 56 85.034 -0.838 9.970 1.00 0.00 C ATOM 855 CG HIS A 56 85.047 -2.341 10.005 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.731 -3.094 9.066 1.00 0.00 N ATOM 857 CD2 HIS A 56 84.448 -3.249 10.848 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.528 -4.391 9.362 1.00 0.00 C ATOM 859 NE2 HIS A 56 84.755 -4.542 10.437 1.00 0.00 N ATOM 0 H HIS A 56 87.415 -0.089 10.990 1.00 0.00 H new ATOM 0 HA HIS A 56 86.383 -0.902 8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.028 -0.441 10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.125 -0.483 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 56 83.833 -2.996 11.699 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.942 -5.212 8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 56 84.453 -5.417 10.866 1.00 0.00 H new ATOM 867 N CYS A 57 86.529 1.570 7.735 1.00 0.00 N ATOM 868 CA CYS A 57 86.378 2.999 7.343 1.00 0.00 C ATOM 869 C CYS A 57 84.900 3.255 7.046 1.00 0.00 C ATOM 870 O CYS A 57 84.213 2.405 6.519 1.00 0.00 O ATOM 871 CB CYS A 57 87.231 3.269 6.101 1.00 0.00 C ATOM 872 SG CYS A 57 88.966 2.918 6.484 1.00 0.00 S ATOM 0 H CYS A 57 86.992 0.979 7.044 1.00 0.00 H new ATOM 0 HA CYS A 57 86.710 3.662 8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 57 86.896 2.646 5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.118 4.306 5.786 1.00 0.00 H new ATOM 0 HG CYS A 57 89.538 3.996 6.933 1.00 0.00 H new ATOM 878 N VAL A 58 84.387 4.395 7.416 1.00 0.00 N ATOM 879 CA VAL A 58 82.935 4.650 7.187 1.00 0.00 C ATOM 880 C VAL A 58 82.690 5.768 6.163 1.00 0.00 C ATOM 881 O VAL A 58 83.264 6.834 6.234 1.00 0.00 O ATOM 882 CB VAL A 58 82.303 5.040 8.527 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.087 5.944 8.294 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.864 3.775 9.265 1.00 0.00 C ATOM 0 H VAL A 58 84.902 5.154 7.862 1.00 0.00 H new ATOM 0 HA VAL A 58 82.486 3.742 6.783 1.00 0.00 H new ATOM 0 HB VAL A 58 83.037 5.581 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.646 6.215 9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.400 6.847 7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.349 5.413 7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.414 4.048 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.135 3.236 8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.730 3.138 9.442 1.00 0.00 H new ATOM 894 N ILE A 59 81.789 5.532 5.241 1.00 0.00 N ATOM 895 CA ILE A 59 81.436 6.575 4.232 1.00 0.00 C ATOM 896 C ILE A 59 80.053 7.130 4.628 1.00 0.00 C ATOM 897 O ILE A 59 79.193 6.388 5.067 1.00 0.00 O ATOM 898 CB ILE A 59 81.397 5.938 2.835 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.800 5.452 2.453 1.00 0.00 C ATOM 900 CG2 ILE A 59 80.917 6.953 1.804 1.00 0.00 C ATOM 901 CD1 ILE A 59 82.712 4.565 1.210 1.00 0.00 C ATOM 0 H ILE A 59 81.280 4.654 5.145 1.00 0.00 H new ATOM 0 HA ILE A 59 82.170 7.381 4.208 1.00 0.00 H new ATOM 0 HB ILE A 59 80.706 5.095 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.451 6.304 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.241 4.895 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 59 80.894 6.488 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.916 7.294 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.597 7.804 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 59 83.709 4.219 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 59 82.075 3.706 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 59 82.289 5.137 0.384 1.00 0.00 H new ATOM 913 N ASN A 60 79.828 8.421 4.526 1.00 0.00 N ATOM 914 CA ASN A 60 78.500 8.971 4.961 1.00 0.00 C ATOM 915 C ASN A 60 77.811 9.757 3.842 1.00 0.00 C ATOM 916 O ASN A 60 78.409 10.597 3.196 1.00 0.00 O ATOM 917 CB ASN A 60 78.715 9.912 6.150 1.00 0.00 C ATOM 918 CG ASN A 60 79.264 9.121 7.337 1.00 0.00 C ATOM 919 OD1 ASN A 60 80.315 9.437 7.858 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.588 8.103 7.791 1.00 0.00 N ATOM 0 H ASN A 60 80.492 9.107 4.167 1.00 0.00 H new ATOM 0 HA ASN A 60 77.864 8.128 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.410 10.706 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.774 10.391 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.941 7.570 8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.706 7.840 7.352 1.00 0.00 H new ATOM 1167 N SER A 77 82.672 11.094 -8.653 1.00 0.00 N ATOM 1168 CA SER A 77 81.981 9.779 -8.779 1.00 0.00 C ATOM 1169 C SER A 77 82.542 8.787 -7.755 1.00 0.00 C ATOM 1170 O SER A 77 83.636 8.946 -7.252 1.00 0.00 O ATOM 1171 CB SER A 77 82.197 9.234 -10.193 1.00 0.00 C ATOM 1172 OG SER A 77 81.745 10.193 -11.141 1.00 0.00 O ATOM 0 HA SER A 77 80.916 9.912 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 77 83.253 9.017 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.655 8.297 -10.320 1.00 0.00 H new ATOM 0 HG SER A 77 81.797 11.090 -10.749 1.00 0.00 H new ATOM 1178 N LEU A 78 81.795 7.756 -7.452 1.00 0.00 N ATOM 1179 CA LEU A 78 82.272 6.735 -6.473 1.00 0.00 C ATOM 1180 C LEU A 78 83.535 6.055 -7.016 1.00 0.00 C ATOM 1181 O LEU A 78 84.411 5.665 -6.270 1.00 0.00 O ATOM 1182 CB LEU A 78 81.180 5.676 -6.267 1.00 0.00 C ATOM 1183 CG LEU A 78 80.036 6.259 -5.430 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.850 5.289 -5.430 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.515 6.467 -3.990 1.00 0.00 C ATOM 0 H LEU A 78 80.870 7.577 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 78 82.497 7.222 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.801 5.340 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.599 4.802 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 78 79.726 7.212 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.038 5.707 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.507 5.134 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.160 4.335 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.703 6.882 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.824 5.511 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.359 7.157 -3.983 1.00 0.00 H new ATOM 1197 N LYS A 79 83.631 5.908 -8.313 1.00 0.00 N ATOM 1198 CA LYS A 79 84.832 5.256 -8.906 1.00 0.00 C ATOM 1199 C LYS A 79 86.078 6.061 -8.532 1.00 0.00 C ATOM 1200 O LYS A 79 87.102 5.514 -8.175 1.00 0.00 O ATOM 1201 CB LYS A 79 84.687 5.212 -10.429 1.00 0.00 C ATOM 1202 CG LYS A 79 83.620 4.184 -10.809 1.00 0.00 C ATOM 1203 CD LYS A 79 83.411 4.207 -12.324 1.00 0.00 C ATOM 1204 CE LYS A 79 84.246 3.101 -12.977 1.00 0.00 C ATOM 1205 NZ LYS A 79 83.817 1.770 -12.460 1.00 0.00 N ATOM 0 H LYS A 79 82.927 6.213 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 79 84.926 4.240 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.411 6.196 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.640 4.950 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.927 3.189 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.684 4.409 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.356 4.065 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.699 5.179 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 79 84.128 3.136 -14.060 1.00 0.00 H new ATOM 0 HE3 LYS A 79 85.304 3.259 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 84.557 1.383 -11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.934 1.875 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 83.661 1.122 -13.258 1.00 0.00 H new ATOM 1219 N GLU A 80 85.989 7.361 -8.599 1.00 0.00 N ATOM 1220 CA GLU A 80 87.159 8.210 -8.230 1.00 0.00 C ATOM 1221 C GLU A 80 87.441 8.036 -6.739 1.00 0.00 C ATOM 1222 O GLU A 80 88.558 8.169 -6.286 1.00 0.00 O ATOM 1223 CB GLU A 80 86.847 9.679 -8.529 1.00 0.00 C ATOM 1224 CG GLU A 80 86.696 9.867 -10.036 1.00 0.00 C ATOM 1225 CD GLU A 80 88.033 9.574 -10.725 1.00 0.00 C ATOM 1226 OE1 GLU A 80 89.035 9.528 -10.031 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.029 9.403 -11.933 1.00 0.00 O ATOM 0 H GLU A 80 85.157 7.873 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 80 88.032 7.910 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.931 9.979 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.646 10.317 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 80 85.923 9.201 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 80 86.377 10.886 -10.256 1.00 0.00 H new ATOM 1234 N LEU A 81 86.422 7.744 -5.975 1.00 0.00 N ATOM 1235 CA LEU A 81 86.605 7.565 -4.505 1.00 0.00 C ATOM 1236 C LEU A 81 87.618 6.454 -4.236 1.00 0.00 C ATOM 1237 O LEU A 81 88.510 6.603 -3.425 1.00 0.00 O ATOM 1238 CB LEU A 81 85.268 7.174 -3.876 1.00 0.00 C ATOM 1239 CG LEU A 81 85.396 7.192 -2.347 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.002 7.148 -1.716 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.208 5.980 -1.875 1.00 0.00 C ATOM 0 H LEU A 81 85.466 7.621 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 81 86.967 8.499 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.488 7.866 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.971 6.181 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 81 85.907 8.106 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.094 7.161 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.428 8.015 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.491 6.237 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.294 6.000 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.705 5.063 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.203 6.014 -2.319 1.00 0.00 H new ATOM 1253 N VAL A 82 87.492 5.340 -4.902 1.00 0.00 N ATOM 1254 CA VAL A 82 88.461 4.241 -4.664 1.00 0.00 C ATOM 1255 C VAL A 82 89.800 4.609 -5.313 1.00 0.00 C ATOM 1256 O VAL A 82 90.855 4.396 -4.750 1.00 0.00 O ATOM 1257 CB VAL A 82 87.940 2.930 -5.267 1.00 0.00 C ATOM 1258 CG1 VAL A 82 89.017 1.855 -5.124 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.676 2.477 -4.524 1.00 0.00 C ATOM 0 H VAL A 82 86.767 5.146 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 82 88.592 4.103 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 82 87.701 3.086 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.656 0.919 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.918 2.170 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 82 89.247 1.708 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 82 86.313 1.546 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.910 2.319 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.907 3.244 -4.614 1.00 0.00 H new ATOM 1269 N LEU A 83 89.760 5.158 -6.498 1.00 0.00 N ATOM 1270 CA LEU A 83 91.023 5.543 -7.198 1.00 0.00 C ATOM 1271 C LEU A 83 91.725 6.662 -6.423 1.00 0.00 C ATOM 1272 O LEU A 83 92.923 6.644 -6.240 1.00 0.00 O ATOM 1273 CB LEU A 83 90.687 6.040 -8.608 1.00 0.00 C ATOM 1274 CG LEU A 83 90.185 4.877 -9.466 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.521 5.427 -10.727 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.364 3.989 -9.872 1.00 0.00 C ATOM 0 H LEU A 83 88.903 5.358 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 83 91.682 4.676 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.927 6.819 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.570 6.486 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 83 89.466 4.292 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.163 4.600 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.681 6.063 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.245 6.011 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.003 3.162 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.082 4.577 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.848 3.596 -8.978 1.00 0.00 H new ATOM 1288 N HIS A 84 90.992 7.642 -5.975 1.00 0.00 N ATOM 1289 CA HIS A 84 91.630 8.760 -5.223 1.00 0.00 C ATOM 1290 C HIS A 84 92.277 8.230 -3.936 1.00 0.00 C ATOM 1291 O HIS A 84 93.366 8.626 -3.571 1.00 0.00 O ATOM 1292 CB HIS A 84 90.563 9.800 -4.871 1.00 0.00 C ATOM 1293 CG HIS A 84 91.215 10.976 -4.206 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.356 11.065 -2.831 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.768 12.125 -4.715 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.971 12.230 -2.560 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.245 12.916 -3.673 1.00 0.00 N ATOM 0 H HIS A 84 89.982 7.718 -6.096 1.00 0.00 H new ATOM 0 HA HIS A 84 92.402 9.217 -5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.041 10.121 -5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.816 9.362 -4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.824 12.377 -5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.214 12.570 -1.564 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.705 13.824 -3.744 1.00 0.00 H new ATOM 1305 N TYR A 85 91.609 7.348 -3.245 1.00 0.00 N ATOM 1306 CA TYR A 85 92.167 6.795 -1.975 1.00 0.00 C ATOM 1307 C TYR A 85 93.362 5.873 -2.250 1.00 0.00 C ATOM 1308 O TYR A 85 94.230 5.709 -1.412 1.00 0.00 O ATOM 1309 CB TYR A 85 91.078 6.001 -1.254 1.00 0.00 C ATOM 1310 CG TYR A 85 90.129 6.945 -0.557 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.510 7.983 -1.268 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.871 6.784 0.809 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.636 8.858 -0.611 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.997 7.659 1.466 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.379 8.695 0.756 1.00 0.00 C ATOM 1316 OH TYR A 85 87.516 9.557 1.407 1.00 0.00 O ATOM 0 H TYR A 85 90.693 6.983 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 85 92.507 7.626 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.532 5.385 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.529 5.324 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.707 8.108 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.346 5.984 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.160 9.658 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.800 7.534 2.521 1.00 0.00 H new ATOM 0 HH TYR A 85 87.449 9.302 2.351 1.00 0.00 H new ATOM 1326 N GLN A 86 93.415 5.248 -3.393 1.00 0.00 N ATOM 1327 CA GLN A 86 94.560 4.331 -3.671 1.00 0.00 C ATOM 1328 C GLN A 86 95.856 5.139 -3.720 1.00 0.00 C ATOM 1329 O GLN A 86 96.910 4.662 -3.353 1.00 0.00 O ATOM 1330 CB GLN A 86 94.348 3.612 -5.009 1.00 0.00 C ATOM 1331 CG GLN A 86 94.904 4.459 -6.159 1.00 0.00 C ATOM 1332 CD GLN A 86 94.192 4.081 -7.456 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.127 4.871 -8.380 1.00 0.00 O ATOM 1334 NE2 GLN A 86 93.649 2.898 -7.569 1.00 0.00 N ATOM 0 H GLN A 86 92.725 5.329 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 86 94.623 3.586 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 86 94.843 2.641 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.286 3.426 -5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 86 94.760 5.519 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.977 4.297 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.703 2.236 -6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 86 93.171 2.637 -8.431 1.00 0.00 H new ATOM 1343 N HIS A 87 95.787 6.357 -4.172 1.00 0.00 N ATOM 1344 CA HIS A 87 97.016 7.191 -4.241 1.00 0.00 C ATOM 1345 C HIS A 87 97.180 7.950 -2.923 1.00 0.00 C ATOM 1346 O HIS A 87 98.279 8.258 -2.501 1.00 0.00 O ATOM 1347 CB HIS A 87 96.887 8.193 -5.392 1.00 0.00 C ATOM 1348 CG HIS A 87 96.832 7.462 -6.710 1.00 0.00 C ATOM 1349 ND1 HIS A 87 96.169 7.978 -7.814 1.00 0.00 N ATOM 1350 CD2 HIS A 87 97.365 6.265 -7.122 1.00 0.00 C ATOM 1351 CE1 HIS A 87 96.322 7.102 -8.826 1.00 0.00 C ATOM 1352 NE2 HIS A 87 97.043 6.040 -8.456 1.00 0.00 N ATOM 0 H HIS A 87 94.933 6.811 -4.497 1.00 0.00 H new ATOM 0 HA HIS A 87 97.884 6.554 -4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 87 95.987 8.794 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.733 8.880 -5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.947 5.598 -6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 87 95.912 7.241 -9.815 1.00 0.00 H new ATOM 0 HE2 HIS A 87 97.302 5.237 -9.029 1.00 0.00 H new ATOM 1360 N THR A 88 96.093 8.263 -2.278 1.00 0.00 N ATOM 1361 CA THR A 88 96.164 9.011 -0.999 1.00 0.00 C ATOM 1362 C THR A 88 96.122 8.042 0.179 1.00 0.00 C ATOM 1363 O THR A 88 95.413 7.056 0.170 1.00 0.00 O ATOM 1364 CB THR A 88 94.979 9.971 -0.942 1.00 0.00 C ATOM 1365 OG1 THR A 88 93.829 9.328 -1.468 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.297 11.220 -1.766 1.00 0.00 C ATOM 0 H THR A 88 95.150 8.029 -2.587 1.00 0.00 H new ATOM 0 HA THR A 88 97.098 9.570 -0.941 1.00 0.00 H new ATOM 0 HB THR A 88 94.789 10.261 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 88 93.830 9.403 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.452 11.907 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.182 11.709 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.485 10.935 -2.801 1.00 0.00 H new ATOM 1374 N SER A 89 96.899 8.316 1.186 1.00 0.00 N ATOM 1375 CA SER A 89 96.937 7.420 2.368 1.00 0.00 C ATOM 1376 C SER A 89 95.742 7.710 3.277 1.00 0.00 C ATOM 1377 O SER A 89 95.356 8.845 3.470 1.00 0.00 O ATOM 1378 CB SER A 89 98.240 7.662 3.121 1.00 0.00 C ATOM 1379 OG SER A 89 98.160 8.893 3.831 1.00 0.00 O ATOM 0 H SER A 89 97.513 9.128 1.240 1.00 0.00 H new ATOM 0 HA SER A 89 96.885 6.379 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 89 98.429 6.842 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.076 7.687 2.422 1.00 0.00 H new ATOM 0 HG SER A 89 99.044 9.125 4.184 1.00 0.00 H new ATOM 1385 N LEU A 90 95.145 6.691 3.828 1.00 0.00 N ATOM 1386 CA LEU A 90 93.967 6.915 4.711 1.00 0.00 C ATOM 1387 C LEU A 90 94.390 7.642 6.004 1.00 0.00 C ATOM 1388 O LEU A 90 93.592 8.333 6.592 1.00 0.00 O ATOM 1389 CB LEU A 90 93.302 5.573 5.037 1.00 0.00 C ATOM 1390 CG LEU A 90 92.457 5.126 3.839 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.371 4.598 2.730 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.489 4.021 4.271 1.00 0.00 C ATOM 0 H LEU A 90 95.420 5.716 3.706 1.00 0.00 H new ATOM 0 HA LEU A 90 93.248 7.547 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.060 4.823 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 90 92.675 5.670 5.924 1.00 0.00 H new ATOM 0 HG LEU A 90 91.889 5.978 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.766 4.281 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.054 5.387 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.944 3.749 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.891 3.707 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.054 3.170 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 90 90.832 4.399 5.054 1.00 0.00 H new ATOM 1404 N VAL A 91 95.632 7.493 6.439 1.00 0.00 N ATOM 1405 CA VAL A 91 96.114 8.183 7.696 1.00 0.00 C ATOM 1406 C VAL A 91 94.997 9.044 8.282 1.00 0.00 C ATOM 1407 O VAL A 91 94.461 8.762 9.338 1.00 0.00 O ATOM 1408 CB VAL A 91 97.293 9.103 7.343 1.00 0.00 C ATOM 1409 CG1 VAL A 91 97.728 9.884 8.587 1.00 0.00 C ATOM 1410 CG2 VAL A 91 98.465 8.266 6.831 1.00 0.00 C ATOM 0 H VAL A 91 96.336 6.920 5.974 1.00 0.00 H new ATOM 0 HA VAL A 91 96.417 7.427 8.421 1.00 0.00 H new ATOM 0 HB VAL A 91 96.982 9.802 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 91 98.564 10.536 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 91 96.895 10.487 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 91 98.035 9.186 9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 91 99.299 8.922 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 91 98.775 7.563 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 91 98.158 7.716 5.942 1.00 0.00 H new ATOM 1420 N GLN A 92 94.641 10.087 7.580 1.00 0.00 N ATOM 1421 CA GLN A 92 93.548 10.990 8.035 1.00 0.00 C ATOM 1422 C GLN A 92 93.541 11.125 9.560 1.00 0.00 C ATOM 1423 O GLN A 92 94.518 11.518 10.167 1.00 0.00 O ATOM 1424 CB GLN A 92 92.210 10.423 7.559 1.00 0.00 C ATOM 1425 CG GLN A 92 92.124 10.556 6.037 1.00 0.00 C ATOM 1426 CD GLN A 92 91.903 12.025 5.676 1.00 0.00 C ATOM 1427 OE1 GLN A 92 92.003 12.889 6.523 1.00 0.00 O ATOM 1428 NE2 GLN A 92 91.606 12.352 4.449 1.00 0.00 N ATOM 0 H GLN A 92 95.071 10.354 6.694 1.00 0.00 H new ATOM 0 HA GLN A 92 93.710 11.981 7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 92 92.120 9.377 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 92 91.386 10.958 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.040 10.189 5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 92 91.306 9.947 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 92 91.521 11.629 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 92 91.459 13.331 4.204 1.00 0.00 H new ATOM 1437 N HIS A 93 92.432 10.822 10.177 1.00 0.00 N ATOM 1438 CA HIS A 93 92.337 10.949 11.656 1.00 0.00 C ATOM 1439 C HIS A 93 93.165 9.849 12.327 1.00 0.00 C ATOM 1440 O HIS A 93 93.584 8.899 11.693 1.00 0.00 O ATOM 1441 CB HIS A 93 90.872 10.833 12.081 1.00 0.00 C ATOM 1442 CG HIS A 93 90.339 9.493 11.669 1.00 0.00 C ATOM 1443 ND1 HIS A 93 90.286 8.415 12.539 1.00 0.00 N ATOM 1444 CD2 HIS A 93 89.825 9.046 10.482 1.00 0.00 C ATOM 1445 CE1 HIS A 93 89.754 7.381 11.866 1.00 0.00 C ATOM 1446 NE2 HIS A 93 89.454 7.712 10.605 1.00 0.00 N ATOM 0 H HIS A 93 91.584 10.490 9.717 1.00 0.00 H new ATOM 0 HA HIS A 93 92.727 11.919 11.963 1.00 0.00 H new ATOM 0 HB2 HIS A 93 90.784 10.955 13.161 1.00 0.00 H new ATOM 0 HB3 HIS A 93 90.284 11.628 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 93 89.723 9.640 9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.589 6.402 12.291 1.00 0.00 H new ATOM 0 HE2 HIS A 93 89.042 7.114 9.888 1.00 0.00 H new ATOM 1454 N ASN A 94 93.419 9.992 13.600 1.00 0.00 N ATOM 1455 CA ASN A 94 94.243 8.987 14.330 1.00 0.00 C ATOM 1456 C ASN A 94 95.634 8.968 13.699 1.00 0.00 C ATOM 1457 O ASN A 94 96.500 8.209 14.082 1.00 0.00 O ATOM 1458 CB ASN A 94 93.599 7.597 14.231 1.00 0.00 C ATOM 1459 CG ASN A 94 92.213 7.641 14.875 1.00 0.00 C ATOM 1460 OD1 ASN A 94 91.384 6.788 14.628 1.00 0.00 O ATOM 1461 ND2 ASN A 94 91.922 8.616 15.692 1.00 0.00 N ATOM 0 H ASN A 94 93.087 10.770 14.170 1.00 0.00 H new ATOM 0 HA ASN A 94 94.310 9.253 15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 94 93.519 7.293 13.187 1.00 0.00 H new ATOM 0 HB3 ASN A 94 94.223 6.857 14.732 1.00 0.00 H new ATOM 0 HD21 ASN A 94 90.999 8.662 16.123 1.00 0.00 H new ATOM 0 HD22 ASN A 94 92.618 9.332 15.900 1.00 0.00 H new ATOM 1468 N ASP A 95 95.848 9.826 12.737 1.00 0.00 N ATOM 1469 CA ASP A 95 97.175 9.900 12.067 1.00 0.00 C ATOM 1470 C ASP A 95 97.800 8.507 12.013 1.00 0.00 C ATOM 1471 O ASP A 95 99.006 8.364 12.022 1.00 0.00 O ATOM 1472 CB ASP A 95 98.097 10.842 12.846 1.00 0.00 C ATOM 1473 CG ASP A 95 97.600 12.286 12.715 1.00 0.00 C ATOM 1474 OD1 ASP A 95 96.870 12.559 11.777 1.00 0.00 O ATOM 1475 OD2 ASP A 95 97.961 13.095 13.556 1.00 0.00 O ATOM 0 H ASP A 95 95.152 10.484 12.385 1.00 0.00 H new ATOM 0 HA ASP A 95 97.044 10.280 11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.124 10.552 13.896 1.00 0.00 H new ATOM 0 HB3 ASP A 95 99.116 10.763 12.467 1.00 0.00 H new ATOM 1480 N SER A 96 96.999 7.474 11.973 1.00 0.00 N ATOM 1481 CA SER A 96 97.586 6.107 11.938 1.00 0.00 C ATOM 1482 C SER A 96 96.982 5.255 10.815 1.00 0.00 C ATOM 1483 O SER A 96 97.326 4.101 10.669 1.00 0.00 O ATOM 1484 CB SER A 96 97.342 5.419 13.279 1.00 0.00 C ATOM 1485 OG SER A 96 95.940 5.335 13.511 1.00 0.00 O ATOM 0 H SER A 96 95.980 7.518 11.963 1.00 0.00 H new ATOM 0 HA SER A 96 98.655 6.206 11.747 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.783 4.422 13.276 1.00 0.00 H new ATOM 0 HB3 SER A 96 97.823 5.978 14.082 1.00 0.00 H new ATOM 0 HG SER A 96 95.777 4.893 14.370 1.00 0.00 H new ATOM 1491 N LEU A 97 96.117 5.795 10.006 1.00 0.00 N ATOM 1492 CA LEU A 97 95.555 4.969 8.903 1.00 0.00 C ATOM 1493 C LEU A 97 96.546 5.004 7.746 1.00 0.00 C ATOM 1494 O LEU A 97 96.223 5.383 6.639 1.00 0.00 O ATOM 1495 CB LEU A 97 94.201 5.538 8.463 1.00 0.00 C ATOM 1496 CG LEU A 97 93.198 5.392 9.611 1.00 0.00 C ATOM 1497 CD1 LEU A 97 91.923 6.175 9.294 1.00 0.00 C ATOM 1498 CD2 LEU A 97 92.846 3.914 9.798 1.00 0.00 C ATOM 0 H LEU A 97 95.779 6.756 10.057 1.00 0.00 H new ATOM 0 HA LEU A 97 95.398 3.942 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 97 94.306 6.587 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 97 93.841 5.011 7.580 1.00 0.00 H new ATOM 0 HG LEU A 97 93.645 5.784 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 97 91.215 6.066 10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 92.167 7.229 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 97 91.477 5.789 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 97 92.132 3.811 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 97 92.405 3.526 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 97 93.750 3.352 10.032 1.00 0.00 H new ATOM 1510 N ASN A 98 97.762 4.609 7.999 1.00 0.00 N ATOM 1511 CA ASN A 98 98.783 4.631 6.927 1.00 0.00 C ATOM 1512 C ASN A 98 98.587 3.430 6.013 1.00 0.00 C ATOM 1513 O ASN A 98 99.132 2.364 6.222 1.00 0.00 O ATOM 1514 CB ASN A 98 100.175 4.602 7.556 1.00 0.00 C ATOM 1515 CG ASN A 98 101.231 4.723 6.456 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.404 4.511 6.695 1.00 0.00 O ATOM 1517 ND2 ASN A 98 100.858 5.052 5.251 1.00 0.00 N ATOM 0 H ASN A 98 98.089 4.272 8.905 1.00 0.00 H new ATOM 0 HA ASN A 98 98.680 5.541 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 98 100.281 5.419 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 98 100.316 3.675 8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.551 5.132 4.507 1.00 0.00 H new ATOM 0 HD22 ASN A 98 99.873 5.229 5.053 1.00 0.00 H new ATOM 1524 N VAL A 99 97.798 3.610 4.996 1.00 0.00 N ATOM 1525 CA VAL A 99 97.531 2.510 4.040 1.00 0.00 C ATOM 1526 C VAL A 99 96.798 3.080 2.831 1.00 0.00 C ATOM 1527 O VAL A 99 96.204 4.136 2.897 1.00 0.00 O ATOM 1528 CB VAL A 99 96.667 1.449 4.709 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.423 2.116 5.290 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.250 0.409 3.668 1.00 0.00 C ATOM 0 H VAL A 99 97.321 4.486 4.785 1.00 0.00 H new ATOM 0 HA VAL A 99 98.470 2.056 3.725 1.00 0.00 H new ATOM 0 HB VAL A 99 97.228 0.960 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 99 94.798 1.364 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.721 2.864 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 99 94.861 2.597 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.631 -0.353 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.682 0.895 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.139 -0.058 3.244 1.00 0.00 H new ATOM 1540 N THR A 100 96.838 2.400 1.728 1.00 0.00 N ATOM 1541 CA THR A 100 96.147 2.923 0.519 1.00 0.00 C ATOM 1542 C THR A 100 95.223 1.847 -0.063 1.00 0.00 C ATOM 1543 O THR A 100 95.473 0.665 0.070 1.00 0.00 O ATOM 1544 CB THR A 100 97.204 3.304 -0.515 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.898 2.134 -0.928 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.195 4.291 0.103 1.00 0.00 C ATOM 0 H THR A 100 97.316 1.507 1.607 1.00 0.00 H new ATOM 0 HA THR A 100 95.547 3.794 0.783 1.00 0.00 H new ATOM 0 HB THR A 100 96.721 3.768 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.577 2.374 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.948 4.561 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.664 5.187 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.680 3.829 0.963 1.00 0.00 H new ATOM 1554 N LEU A 101 94.162 2.242 -0.718 1.00 0.00 N ATOM 1555 CA LEU A 101 93.242 1.227 -1.312 1.00 0.00 C ATOM 1556 C LEU A 101 93.791 0.819 -2.681 1.00 0.00 C ATOM 1557 O LEU A 101 93.205 1.107 -3.710 1.00 0.00 O ATOM 1558 CB LEU A 101 91.845 1.833 -1.474 1.00 0.00 C ATOM 1559 CG LEU A 101 91.407 2.491 -0.163 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.972 2.999 -0.300 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.472 1.478 0.984 1.00 0.00 C ATOM 0 H LEU A 101 93.894 3.215 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 101 93.174 0.355 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.850 2.570 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.133 1.058 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 101 92.077 3.323 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.661 3.467 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.920 3.730 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.310 2.163 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.158 1.958 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.810 0.640 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.494 1.115 1.091 1.00 0.00 H new ATOM 1573 N ALA A 102 94.933 0.185 -2.703 1.00 0.00 N ATOM 1574 CA ALA A 102 95.555 -0.205 -4.002 1.00 0.00 C ATOM 1575 C ALA A 102 95.198 -1.641 -4.418 1.00 0.00 C ATOM 1576 O ALA A 102 95.287 -1.977 -5.583 1.00 0.00 O ATOM 1577 CB ALA A 102 97.075 -0.080 -3.882 1.00 0.00 C ATOM 0 H ALA A 102 95.464 -0.081 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 102 95.165 0.464 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.539 -0.363 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.338 0.951 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.433 -0.738 -3.090 1.00 0.00 H new ATOM 1583 N TYR A 103 94.823 -2.509 -3.510 1.00 0.00 N ATOM 1584 CA TYR A 103 94.512 -3.904 -3.943 1.00 0.00 C ATOM 1585 C TYR A 103 93.047 -4.259 -3.651 1.00 0.00 C ATOM 1586 O TYR A 103 92.663 -4.409 -2.510 1.00 0.00 O ATOM 1587 CB TYR A 103 95.399 -4.882 -3.175 1.00 0.00 C ATOM 1588 CG TYR A 103 96.855 -4.634 -3.498 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.402 -5.101 -4.700 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.662 -3.945 -2.585 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.754 -4.881 -4.989 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.015 -3.722 -2.874 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.561 -4.191 -4.076 1.00 0.00 C ATOM 1594 OH TYR A 103 100.895 -3.974 -4.360 1.00 0.00 O ATOM 0 H TYR A 103 94.721 -2.318 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 103 94.692 -3.972 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.233 -4.770 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.131 -5.906 -3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.780 -5.632 -5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.242 -3.585 -1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.174 -5.243 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.637 -3.189 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 103 101.310 -3.480 -3.623 1.00 0.00 H new ATOM 1604 N PRO A 104 92.245 -4.436 -4.675 1.00 0.00 N ATOM 1605 CA PRO A 104 90.812 -4.835 -4.514 1.00 0.00 C ATOM 1606 C PRO A 104 90.682 -6.158 -3.751 1.00 0.00 C ATOM 1607 O PRO A 104 91.493 -7.050 -3.900 1.00 0.00 O ATOM 1608 CB PRO A 104 90.306 -5.008 -5.942 1.00 0.00 C ATOM 1609 CG PRO A 104 91.267 -4.274 -6.817 1.00 0.00 C ATOM 1610 CD PRO A 104 92.608 -4.263 -6.089 1.00 0.00 C ATOM 0 HA PRO A 104 90.248 -4.096 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.260 -6.063 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.298 -4.607 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.358 -4.763 -7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.921 -3.258 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.257 -5.067 -6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.143 -3.328 -6.252 1.00 0.00 H new ATOM 1618 N VAL A 105 89.676 -6.294 -2.936 1.00 0.00 N ATOM 1619 CA VAL A 105 89.511 -7.562 -2.170 1.00 0.00 C ATOM 1620 C VAL A 105 89.068 -8.683 -3.119 1.00 0.00 C ATOM 1621 O VAL A 105 89.344 -9.845 -2.894 1.00 0.00 O ATOM 1622 CB VAL A 105 88.483 -7.362 -1.046 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.113 -6.999 -1.631 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.366 -8.652 -0.224 1.00 0.00 C ATOM 0 H VAL A 105 88.962 -5.586 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 105 90.463 -7.843 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 105 88.817 -6.546 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.397 -6.861 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.195 -6.076 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.772 -7.802 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.637 -8.510 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.043 -9.468 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.336 -8.896 0.210 1.00 0.00 H new ATOM 1634 N TYR A 106 88.394 -8.342 -4.184 1.00 0.00 N ATOM 1635 CA TYR A 106 87.939 -9.384 -5.153 1.00 0.00 C ATOM 1636 C TYR A 106 88.659 -9.197 -6.490 1.00 0.00 C ATOM 1637 O TYR A 106 88.134 -9.522 -7.537 1.00 0.00 O ATOM 1638 CB TYR A 106 86.434 -9.254 -5.376 1.00 0.00 C ATOM 1639 CG TYR A 106 85.675 -10.107 -4.384 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.028 -10.107 -3.028 1.00 0.00 C ATOM 1641 CD2 TYR A 106 84.610 -10.901 -4.824 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.320 -10.897 -2.118 1.00 0.00 C ATOM 1643 CE2 TYR A 106 83.901 -11.692 -3.913 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.256 -11.689 -2.559 1.00 0.00 C ATOM 1645 OH TYR A 106 83.561 -12.468 -1.659 1.00 0.00 O ATOM 0 H TYR A 106 88.138 -7.385 -4.426 1.00 0.00 H new ATOM 0 HA TYR A 106 88.168 -10.370 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.134 -8.211 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.184 -9.558 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.849 -9.495 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.335 -10.903 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.595 -10.896 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.080 -12.305 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 106 82.852 -12.956 -2.128 1.00 0.00 H new ATOM 1655 N ALA A 107 89.852 -8.676 -6.469 1.00 0.00 N ATOM 1656 CA ALA A 107 90.592 -8.472 -7.742 1.00 0.00 C ATOM 1657 C ALA A 107 90.807 -9.824 -8.432 1.00 0.00 C ATOM 1658 O ALA A 107 91.257 -10.776 -7.827 1.00 0.00 O ATOM 1659 CB ALA A 107 91.945 -7.830 -7.435 1.00 0.00 C ATOM 0 H ALA A 107 90.346 -8.383 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 107 90.019 -7.821 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.494 -7.677 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.789 -6.870 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.518 -8.485 -6.778 1.00 0.00 H new