USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 934 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 98 ASN :FLIP amide:sc= 0.373 F(o=-2.7,f=-1.6) USER MOD Set 1.2: A 102 SER OG : rot 29:sc= -1.99! USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 140:sc= 0.702 (180deg=0) USER MOD Set 2.3: A 36 HIS : no HE2:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.76! C(o=-1.8!,f=-1.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0609) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.678 (180deg=-1.22) USER MOD Single : A 44 GLN : amide:sc=-0.00522 X(o=-0.0052,f=-0.031) USER MOD Single : A 45 CYS SG : rot 180:sc= 0.0497 USER MOD Single : A 50 HIS : no HD1:sc= -3.05! C(o=-3.1!,f=-2.9!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.634 F(o=-3.6,f=-0.63) USER MOD Single : A 52 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 54 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.23) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00322) USER MOD Single : A 60 SER OG : rot 54:sc= 0.676 USER MOD Single : A 61 SER OG : rot 150:sc= -3.8! USER MOD Single : A 63 THR OG1 : rot 140:sc= -2.64 USER MOD Single : A 74 HIS : no HD1:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 94 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -16.4! C(o=-16!,f=-16!) USER MOD Single : A 101 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.026) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.259 5.833 35.313 1.00 0.00 N ATOM 2 CA GLY A 1 -26.056 5.125 34.061 1.00 0.00 C ATOM 3 C GLY A 1 -24.662 5.401 33.494 1.00 0.00 C ATOM 4 O GLY A 1 -24.311 6.550 33.231 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.212 5.629 35.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.550 5.522 36.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.161 6.856 35.153 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.182 4.054 34.220 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.813 5.431 33.339 1.00 0.00 H new ATOM 8 N ILE A 2 -23.904 4.327 33.323 1.00 0.00 N ATOM 9 CA ILE A 2 -22.556 4.439 32.792 1.00 0.00 C ATOM 10 C ILE A 2 -21.731 5.357 33.697 1.00 0.00 C ATOM 11 O ILE A 2 -22.264 6.297 34.285 1.00 0.00 O ATOM 12 CB ILE A 2 -22.591 4.888 31.330 1.00 0.00 C ATOM 13 CG1 ILE A 2 -23.990 4.708 30.735 1.00 0.00 C ATOM 14 CG2 ILE A 2 -21.522 4.165 30.509 1.00 0.00 C ATOM 15 CD1 ILE A 2 -23.990 5.012 29.235 1.00 0.00 C ATOM 0 H ILE A 2 -24.198 3.375 33.543 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.065 3.466 32.791 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.360 5.953 31.294 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -24.332 3.687 30.903 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -24.693 5.367 31.244 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.568 4.502 29.474 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -20.537 4.387 30.919 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -21.698 3.090 30.549 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -24.995 4.877 28.836 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.671 6.041 29.072 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -23.304 4.335 28.726 1.00 0.00 H new ATOM 27 N PRO A 3 -20.411 5.044 33.783 1.00 0.00 N ATOM 28 CA PRO A 3 -19.507 5.829 34.606 1.00 0.00 C ATOM 29 C PRO A 3 -19.182 7.168 33.940 1.00 0.00 C ATOM 30 O PRO A 3 -19.907 7.616 33.053 1.00 0.00 O ATOM 31 CB PRO A 3 -18.283 4.949 34.797 1.00 0.00 C ATOM 32 CG PRO A 3 -18.348 3.900 33.699 1.00 0.00 C ATOM 33 CD PRO A 3 -19.745 3.938 33.100 1.00 0.00 C ATOM 0 HA PRO A 3 -19.942 6.098 35.569 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.366 5.534 34.724 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.287 4.483 35.783 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.599 4.102 32.933 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.133 2.911 34.103 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.710 4.101 32.023 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.271 2.998 33.263 1.00 0.00 H new ATOM 41 N ASP A 4 -18.092 7.769 34.393 1.00 0.00 N ATOM 42 CA ASP A 4 -17.662 9.047 33.852 1.00 0.00 C ATOM 43 C ASP A 4 -17.311 8.878 32.372 1.00 0.00 C ATOM 44 O ASP A 4 -17.305 7.761 31.856 1.00 0.00 O ATOM 45 CB ASP A 4 -16.417 9.561 34.577 1.00 0.00 C ATOM 46 CG ASP A 4 -16.079 11.031 34.319 1.00 0.00 C ATOM 47 OD1 ASP A 4 -16.860 11.884 34.792 1.00 0.00 O ATOM 48 OD2 ASP A 4 -15.047 11.268 33.655 1.00 0.00 O ATOM 0 H ASP A 4 -17.493 7.394 35.129 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.476 9.760 33.984 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.554 9.418 35.649 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.564 8.950 34.281 1.00 0.00 H new ATOM 53 N LEU A 5 -17.027 10.002 31.732 1.00 0.00 N ATOM 54 CA LEU A 5 -16.676 9.992 30.322 1.00 0.00 C ATOM 55 C LEU A 5 -17.923 9.679 29.493 1.00 0.00 C ATOM 56 O LEU A 5 -17.821 9.341 28.314 1.00 0.00 O ATOM 57 CB LEU A 5 -15.511 9.034 30.066 1.00 0.00 C ATOM 58 CG LEU A 5 -14.590 8.766 31.258 1.00 0.00 C ATOM 59 CD1 LEU A 5 -14.584 7.280 31.623 1.00 0.00 C ATOM 60 CD2 LEU A 5 -13.179 9.295 30.990 1.00 0.00 C ATOM 0 H LEU A 5 -17.033 10.926 32.164 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.324 10.975 30.010 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.917 8.082 29.725 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.909 9.435 29.250 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.980 9.308 32.120 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.922 7.117 32.473 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.594 6.966 31.885 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.232 6.698 30.772 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.544 9.092 31.853 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.766 8.800 30.111 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.221 10.370 30.815 1.00 0.00 H new ATOM 72 N VAL A 6 -19.072 9.804 30.140 1.00 0.00 N ATOM 73 CA VAL A 6 -20.338 9.539 29.477 1.00 0.00 C ATOM 74 C VAL A 6 -21.066 10.861 29.231 1.00 0.00 C ATOM 75 O VAL A 6 -21.920 10.949 28.350 1.00 0.00 O ATOM 76 CB VAL A 6 -21.162 8.546 30.301 1.00 0.00 C ATOM 77 CG1 VAL A 6 -22.637 8.594 29.900 1.00 0.00 C ATOM 78 CG2 VAL A 6 -20.603 7.128 30.169 1.00 0.00 C ATOM 0 H VAL A 6 -19.153 10.085 31.117 1.00 0.00 H new ATOM 0 HA VAL A 6 -20.171 9.075 28.505 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.090 8.838 31.349 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -23.201 7.879 30.500 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -23.028 9.597 30.069 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -22.736 8.339 28.845 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -21.206 6.442 30.764 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -20.631 6.822 29.123 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -19.573 7.108 30.526 1.00 0.00 H new ATOM 88 N LYS A 7 -20.703 11.857 30.025 1.00 0.00 N ATOM 89 CA LYS A 7 -21.311 13.171 29.904 1.00 0.00 C ATOM 90 C LYS A 7 -20.655 13.928 28.747 1.00 0.00 C ATOM 91 O LYS A 7 -20.743 15.152 28.673 1.00 0.00 O ATOM 92 CB LYS A 7 -21.249 13.915 31.240 1.00 0.00 C ATOM 93 CG LYS A 7 -22.590 13.840 31.973 1.00 0.00 C ATOM 94 CD LYS A 7 -22.975 12.388 32.261 1.00 0.00 C ATOM 95 CE LYS A 7 -22.821 12.065 33.749 1.00 0.00 C ATOM 96 NZ LYS A 7 -24.068 11.473 34.283 1.00 0.00 N ATOM 0 H LYS A 7 -19.995 11.781 30.755 1.00 0.00 H new ATOM 0 HA LYS A 7 -22.371 13.080 29.665 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -20.465 13.485 31.864 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -20.983 14.958 31.067 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -22.529 14.397 32.908 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -23.365 14.313 31.370 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -24.006 12.213 31.952 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -22.348 11.718 31.673 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.992 11.372 33.893 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.577 12.973 34.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.946 11.260 35.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.851 12.147 34.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -24.284 10.596 33.768 1.00 0.00 H new ATOM 110 N GLY A 8 -20.013 13.167 27.873 1.00 0.00 N ATOM 111 CA GLY A 8 -19.343 13.750 26.724 1.00 0.00 C ATOM 112 C GLY A 8 -18.477 12.711 26.008 1.00 0.00 C ATOM 113 O GLY A 8 -17.253 12.830 25.981 1.00 0.00 O ATOM 0 H GLY A 8 -19.943 12.151 27.938 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.083 14.151 26.032 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -18.722 14.586 27.046 1.00 0.00 H new ATOM 117 N PRO A 9 -19.165 11.689 25.431 1.00 0.00 N ATOM 118 CA PRO A 9 -18.472 10.630 24.718 1.00 0.00 C ATOM 119 C PRO A 9 -17.984 11.117 23.352 1.00 0.00 C ATOM 120 O PRO A 9 -18.685 11.860 22.667 1.00 0.00 O ATOM 121 CB PRO A 9 -19.482 9.497 24.618 1.00 0.00 C ATOM 122 CG PRO A 9 -20.842 10.129 24.864 1.00 0.00 C ATOM 123 CD PRO A 9 -20.615 11.515 25.444 1.00 0.00 C ATOM 0 HA PRO A 9 -17.570 10.298 25.231 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.443 9.024 23.637 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.273 8.721 25.354 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -21.407 10.192 23.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.427 9.519 25.552 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -21.111 12.280 24.847 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -21.014 11.591 26.455 1.00 0.00 H new ATOM 131 N TRP A 10 -16.784 10.679 22.998 1.00 0.00 N ATOM 132 CA TRP A 10 -16.194 11.062 21.726 1.00 0.00 C ATOM 133 C TRP A 10 -17.063 10.484 20.608 1.00 0.00 C ATOM 134 O TRP A 10 -17.841 9.559 20.837 1.00 0.00 O ATOM 135 CB TRP A 10 -14.734 10.611 21.642 1.00 0.00 C ATOM 136 CG TRP A 10 -13.811 11.301 22.649 1.00 0.00 C ATOM 137 CD1 TRP A 10 -14.018 11.500 23.958 1.00 0.00 C ATOM 138 CD2 TRP A 10 -12.518 11.880 22.373 1.00 0.00 C ATOM 139 NE1 TRP A 10 -12.958 12.161 24.543 1.00 0.00 N ATOM 140 CE2 TRP A 10 -12.017 12.400 23.549 1.00 0.00 C ATOM 141 CE3 TRP A 10 -11.796 11.962 21.169 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -10.773 13.037 23.637 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -10.555 12.602 21.274 1.00 0.00 C ATOM 144 CH2 TRP A 10 -10.036 13.130 22.450 1.00 0.00 C ATOM 0 H TRP A 10 -16.205 10.063 23.569 1.00 0.00 H new ATOM 0 HA TRP A 10 -16.171 12.147 21.623 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -14.687 9.534 21.801 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -14.363 10.801 20.635 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -14.904 11.183 24.488 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -12.879 12.426 25.525 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -12.169 11.563 20.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.402 13.435 24.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.959 12.692 20.378 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.069 13.610 22.448 1.00 0.00 H new ATOM 155 N THR A 11 -16.902 11.053 19.423 1.00 0.00 N ATOM 156 CA THR A 11 -17.663 10.605 18.268 1.00 0.00 C ATOM 157 C THR A 11 -16.890 10.888 16.978 1.00 0.00 C ATOM 158 O THR A 11 -15.921 11.645 16.984 1.00 0.00 O ATOM 159 CB THR A 11 -19.035 11.281 18.315 1.00 0.00 C ATOM 160 OG1 THR A 11 -18.800 12.581 17.782 1.00 0.00 O ATOM 161 CG2 THR A 11 -19.509 11.544 19.746 1.00 0.00 C ATOM 0 H THR A 11 -16.256 11.820 19.237 1.00 0.00 H new ATOM 0 HA THR A 11 -17.815 9.526 18.289 1.00 0.00 H new ATOM 0 HB THR A 11 -19.765 10.657 17.800 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.639 13.088 17.774 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.487 12.025 19.723 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.582 10.599 20.285 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.796 12.196 20.251 1.00 0.00 H new ATOM 169 N LYS A 12 -17.349 10.265 15.903 1.00 0.00 N ATOM 170 CA LYS A 12 -16.713 10.440 14.608 1.00 0.00 C ATOM 171 C LYS A 12 -16.244 11.890 14.467 1.00 0.00 C ATOM 172 O LYS A 12 -15.099 12.142 14.096 1.00 0.00 O ATOM 173 CB LYS A 12 -17.647 9.984 13.486 1.00 0.00 C ATOM 174 CG LYS A 12 -16.892 9.855 12.162 1.00 0.00 C ATOM 175 CD LYS A 12 -17.536 8.796 11.264 1.00 0.00 C ATOM 176 CE LYS A 12 -16.472 7.982 10.526 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.072 8.665 9.276 1.00 0.00 N ATOM 0 H LYS A 12 -18.154 9.638 15.902 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.828 9.809 14.530 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -18.095 9.025 13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.463 10.698 13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.884 10.816 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -15.853 9.589 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.155 8.131 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.195 9.278 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.601 7.845 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.859 6.989 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.349 8.099 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.902 8.774 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.683 9.603 9.502 1.00 0.00 H new ATOM 191 N GLU A 13 -17.153 12.804 14.771 1.00 0.00 N ATOM 192 CA GLU A 13 -16.847 14.222 14.683 1.00 0.00 C ATOM 193 C GLU A 13 -15.459 14.502 15.264 1.00 0.00 C ATOM 194 O GLU A 13 -14.663 15.219 14.659 1.00 0.00 O ATOM 195 CB GLU A 13 -17.916 15.059 15.389 1.00 0.00 C ATOM 196 CG GLU A 13 -18.126 16.395 14.675 1.00 0.00 C ATOM 197 CD GLU A 13 -17.783 17.569 15.595 1.00 0.00 C ATOM 198 OE1 GLU A 13 -16.654 17.558 16.131 1.00 0.00 O ATOM 199 OE2 GLU A 13 -18.658 18.449 15.742 1.00 0.00 O ATOM 0 H GLU A 13 -18.102 12.591 15.079 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.844 14.509 13.631 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.855 14.506 15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.619 15.238 16.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.504 16.435 13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.162 16.477 14.346 1.00 0.00 H new ATOM 206 N GLU A 14 -15.213 13.923 16.430 1.00 0.00 N ATOM 207 CA GLU A 14 -13.935 14.102 17.099 1.00 0.00 C ATOM 208 C GLU A 14 -12.788 13.704 16.168 1.00 0.00 C ATOM 209 O GLU A 14 -11.762 14.380 16.118 1.00 0.00 O ATOM 210 CB GLU A 14 -13.884 13.305 18.404 1.00 0.00 C ATOM 211 CG GLU A 14 -13.335 11.897 18.165 1.00 0.00 C ATOM 212 CD GLU A 14 -11.815 11.922 17.994 1.00 0.00 C ATOM 213 OE1 GLU A 14 -11.247 13.027 18.132 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.256 10.836 17.730 1.00 0.00 O ATOM 0 H GLU A 14 -15.876 13.330 16.929 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.823 15.157 17.351 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.257 13.826 19.128 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.883 13.241 18.835 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.599 11.253 19.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.797 11.469 17.276 1.00 0.00 H new ATOM 221 N ASP A 15 -13.002 12.609 15.453 1.00 0.00 N ATOM 222 CA ASP A 15 -11.998 12.113 14.526 1.00 0.00 C ATOM 223 C ASP A 15 -11.922 13.047 13.316 1.00 0.00 C ATOM 224 O ASP A 15 -10.938 13.765 13.144 1.00 0.00 O ATOM 225 CB ASP A 15 -12.358 10.715 14.021 1.00 0.00 C ATOM 226 CG ASP A 15 -11.779 9.562 14.843 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.538 9.541 14.996 1.00 0.00 O ATOM 228 OD2 ASP A 15 -12.589 8.727 15.300 1.00 0.00 O ATOM 0 H ASP A 15 -13.855 12.052 15.497 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.044 12.072 15.052 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.444 10.620 14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.013 10.617 12.992 1.00 0.00 H new ATOM 233 N GLN A 16 -12.972 13.007 12.510 1.00 0.00 N ATOM 234 CA GLN A 16 -13.036 13.840 11.322 1.00 0.00 C ATOM 235 C GLN A 16 -12.502 15.241 11.627 1.00 0.00 C ATOM 236 O GLN A 16 -11.852 15.859 10.784 1.00 0.00 O ATOM 237 CB GLN A 16 -14.463 13.905 10.774 1.00 0.00 C ATOM 238 CG GLN A 16 -15.456 14.290 11.873 1.00 0.00 C ATOM 239 CD GLN A 16 -16.738 14.871 11.274 1.00 0.00 C ATOM 240 OE1 GLN A 16 -17.838 14.407 11.527 1.00 0.00 O ATOM 241 NE2 GLN A 16 -16.537 15.910 10.468 1.00 0.00 N ATOM 0 H GLN A 16 -13.786 12.410 12.656 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.407 13.391 10.553 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.512 14.632 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.739 12.938 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.696 13.413 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.999 15.020 12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.590 16.248 10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.330 16.368 10.019 1.00 0.00 H new ATOM 250 N LYS A 17 -12.795 15.702 12.834 1.00 0.00 N ATOM 251 CA LYS A 17 -12.352 17.018 13.261 1.00 0.00 C ATOM 252 C LYS A 17 -10.834 17.005 13.449 1.00 0.00 C ATOM 253 O LYS A 17 -10.098 17.549 12.627 1.00 0.00 O ATOM 254 CB LYS A 17 -13.122 17.466 14.505 1.00 0.00 C ATOM 255 CG LYS A 17 -12.839 18.934 14.826 1.00 0.00 C ATOM 256 CD LYS A 17 -12.411 19.104 16.286 1.00 0.00 C ATOM 257 CE LYS A 17 -13.532 19.733 17.116 1.00 0.00 C ATOM 258 NZ LYS A 17 -13.355 21.200 17.198 1.00 0.00 N ATOM 0 H LYS A 17 -13.334 15.187 13.530 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.572 17.761 12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.191 17.324 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.841 16.844 15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.056 19.309 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.731 19.531 14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.143 18.134 16.706 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.520 19.730 16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.498 19.502 16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.535 19.304 18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.124 21.611 17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.441 21.415 17.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.375 21.606 16.241 1.00 0.00 H new ATOM 272 N VAL A 18 -10.410 16.377 14.536 1.00 0.00 N ATOM 273 CA VAL A 18 -8.993 16.285 14.843 1.00 0.00 C ATOM 274 C VAL A 18 -8.211 16.035 13.552 1.00 0.00 C ATOM 275 O VAL A 18 -7.103 16.542 13.385 1.00 0.00 O ATOM 276 CB VAL A 18 -8.756 15.208 15.903 1.00 0.00 C ATOM 277 CG1 VAL A 18 -7.331 14.656 15.815 1.00 0.00 C ATOM 278 CG2 VAL A 18 -9.050 15.744 17.305 1.00 0.00 C ATOM 0 H VAL A 18 -11.023 15.927 15.215 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.632 17.223 15.265 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.446 14.388 15.707 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.189 13.892 16.579 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.171 14.218 14.830 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.617 15.465 15.973 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.874 14.958 18.039 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.396 16.591 17.515 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.090 16.066 17.361 1.00 0.00 H new ATOM 288 N ILE A 19 -8.819 15.254 12.671 1.00 0.00 N ATOM 289 CA ILE A 19 -8.194 14.931 11.400 1.00 0.00 C ATOM 290 C ILE A 19 -8.002 16.215 10.590 1.00 0.00 C ATOM 291 O ILE A 19 -6.873 16.645 10.359 1.00 0.00 O ATOM 292 CB ILE A 19 -8.997 13.856 10.666 1.00 0.00 C ATOM 293 CG1 ILE A 19 -8.607 12.457 11.147 1.00 0.00 C ATOM 294 CG2 ILE A 19 -8.852 14.002 9.150 1.00 0.00 C ATOM 295 CD1 ILE A 19 -8.219 12.474 12.627 1.00 0.00 C ATOM 0 H ILE A 19 -9.738 14.835 12.813 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.204 14.503 11.560 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.052 13.996 10.903 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.440 11.771 10.994 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.773 12.084 10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.433 13.225 8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.217 14.982 8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.802 13.903 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.946 11.467 12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.371 13.143 12.773 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.063 12.824 13.221 1.00 0.00 H new ATOM 307 N GLU A 20 -9.123 16.792 10.181 1.00 0.00 N ATOM 308 CA GLU A 20 -9.092 18.018 9.402 1.00 0.00 C ATOM 309 C GLU A 20 -8.181 19.049 10.070 1.00 0.00 C ATOM 310 O GLU A 20 -7.702 19.976 9.418 1.00 0.00 O ATOM 311 CB GLU A 20 -10.502 18.578 9.205 1.00 0.00 C ATOM 312 CG GLU A 20 -10.590 19.403 7.920 1.00 0.00 C ATOM 313 CD GLU A 20 -11.429 20.665 8.134 1.00 0.00 C ATOM 314 OE1 GLU A 20 -12.421 20.566 8.888 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.059 21.700 7.539 1.00 0.00 O ATOM 0 H GLU A 20 -10.058 16.433 10.375 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.687 17.789 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.220 17.759 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.773 19.199 10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.588 19.680 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.030 18.800 7.126 1.00 0.00 H new ATOM 322 N LEU A 21 -7.968 18.853 11.363 1.00 0.00 N ATOM 323 CA LEU A 21 -7.122 19.755 12.127 1.00 0.00 C ATOM 324 C LEU A 21 -5.654 19.459 11.813 1.00 0.00 C ATOM 325 O LEU A 21 -4.951 20.305 11.261 1.00 0.00 O ATOM 326 CB LEU A 21 -7.460 19.673 13.617 1.00 0.00 C ATOM 327 CG LEU A 21 -8.679 20.478 14.073 1.00 0.00 C ATOM 328 CD1 LEU A 21 -9.381 19.792 15.247 1.00 0.00 C ATOM 329 CD2 LEU A 21 -8.291 21.921 14.402 1.00 0.00 C ATOM 0 H LEU A 21 -8.366 18.083 11.901 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.309 20.789 11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.623 18.627 13.875 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.593 20.010 14.185 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.391 20.516 13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.244 20.385 15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.712 18.799 14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.688 19.703 16.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.175 22.471 14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.550 21.925 15.202 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.870 22.396 13.516 1.00 0.00 H new ATOM 341 N VAL A 22 -5.235 18.257 12.177 1.00 0.00 N ATOM 342 CA VAL A 22 -3.863 17.839 11.941 1.00 0.00 C ATOM 343 C VAL A 22 -3.498 18.107 10.480 1.00 0.00 C ATOM 344 O VAL A 22 -2.321 18.232 10.143 1.00 0.00 O ATOM 345 CB VAL A 22 -3.685 16.374 12.343 1.00 0.00 C ATOM 346 CG1 VAL A 22 -2.204 15.993 12.387 1.00 0.00 C ATOM 347 CG2 VAL A 22 -4.366 16.086 13.683 1.00 0.00 C ATOM 0 H VAL A 22 -5.821 17.558 12.634 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.176 18.417 12.559 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.166 15.758 11.584 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.106 14.946 12.675 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.761 16.141 11.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.689 16.620 13.115 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.224 15.038 13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.928 16.716 14.457 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.432 16.299 13.603 1.00 0.00 H new ATOM 357 N LYS A 23 -4.528 18.186 9.650 1.00 0.00 N ATOM 358 CA LYS A 23 -4.330 18.437 8.233 1.00 0.00 C ATOM 359 C LYS A 23 -3.976 19.910 8.024 1.00 0.00 C ATOM 360 O LYS A 23 -3.068 20.232 7.260 1.00 0.00 O ATOM 361 CB LYS A 23 -5.551 17.978 7.432 1.00 0.00 C ATOM 362 CG LYS A 23 -5.303 16.613 6.788 1.00 0.00 C ATOM 363 CD LYS A 23 -5.164 16.741 5.269 1.00 0.00 C ATOM 364 CE LYS A 23 -3.880 16.070 4.777 1.00 0.00 C ATOM 365 NZ LYS A 23 -4.095 15.449 3.451 1.00 0.00 N ATOM 0 H LYS A 23 -5.502 18.081 9.932 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.491 17.851 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.420 17.922 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.781 18.712 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.398 16.170 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.126 15.939 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.026 16.286 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.159 17.794 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.079 16.806 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.561 15.312 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.214 14.998 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.845 14.732 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.377 16.180 2.767 1.00 0.00 H new ATOM 379 N LYS A 24 -4.712 20.767 8.717 1.00 0.00 N ATOM 380 CA LYS A 24 -4.487 22.199 8.617 1.00 0.00 C ATOM 381 C LYS A 24 -3.303 22.588 9.505 1.00 0.00 C ATOM 382 O LYS A 24 -2.705 23.646 9.319 1.00 0.00 O ATOM 383 CB LYS A 24 -5.772 22.966 8.935 1.00 0.00 C ATOM 384 CG LYS A 24 -5.780 24.331 8.243 1.00 0.00 C ATOM 385 CD LYS A 24 -5.701 25.465 9.267 1.00 0.00 C ATOM 386 CE LYS A 24 -7.066 25.722 9.908 1.00 0.00 C ATOM 387 NZ LYS A 24 -7.942 26.471 8.978 1.00 0.00 N ATOM 0 H LYS A 24 -5.465 20.497 9.350 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.224 22.473 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.636 22.385 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.863 23.100 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.938 24.399 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.687 24.436 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.975 25.212 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.347 26.374 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.534 24.774 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.940 26.286 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.780 26.813 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.420 27.281 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.242 25.845 8.203 1.00 0.00 H new ATOM 401 N TYR A 25 -3.000 21.710 10.450 1.00 0.00 N ATOM 402 CA TYR A 25 -1.899 21.949 11.367 1.00 0.00 C ATOM 403 C TYR A 25 -0.606 21.317 10.847 1.00 0.00 C ATOM 404 O TYR A 25 0.398 22.006 10.669 1.00 0.00 O ATOM 405 CB TYR A 25 -2.290 21.271 12.682 1.00 0.00 C ATOM 406 CG TYR A 25 -3.222 22.108 13.560 1.00 0.00 C ATOM 407 CD1 TYR A 25 -4.246 22.833 12.984 1.00 0.00 C ATOM 408 CD2 TYR A 25 -3.040 22.138 14.928 1.00 0.00 C ATOM 409 CE1 TYR A 25 -5.124 23.621 13.811 1.00 0.00 C ATOM 410 CE2 TYR A 25 -3.917 22.926 15.754 1.00 0.00 C ATOM 411 CZ TYR A 25 -4.916 23.628 15.155 1.00 0.00 C ATOM 412 OH TYR A 25 -5.745 24.372 15.935 1.00 0.00 O ATOM 0 H TYR A 25 -3.498 20.832 10.600 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.723 23.018 11.484 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.774 20.320 12.459 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.385 21.043 13.245 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.389 22.809 11.914 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.239 21.570 15.379 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.929 24.193 13.374 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.785 22.959 16.825 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.479 24.282 16.874 1.00 0.00 H new ATOM 422 N GLY A 26 -0.672 20.014 10.617 1.00 0.00 N ATOM 423 CA GLY A 26 0.481 19.282 10.121 1.00 0.00 C ATOM 424 C GLY A 26 1.784 19.984 10.508 1.00 0.00 C ATOM 425 O GLY A 26 2.249 20.873 9.797 1.00 0.00 O ATOM 0 H GLY A 26 -1.506 19.446 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.475 18.270 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.420 19.192 9.036 1.00 0.00 H new ATOM 429 N THR A 27 2.336 19.557 11.634 1.00 0.00 N ATOM 430 CA THR A 27 3.577 20.134 12.124 1.00 0.00 C ATOM 431 C THR A 27 4.121 19.312 13.294 1.00 0.00 C ATOM 432 O THR A 27 5.262 18.852 13.257 1.00 0.00 O ATOM 433 CB THR A 27 3.310 21.597 12.482 1.00 0.00 C ATOM 434 OG1 THR A 27 4.412 21.959 13.309 1.00 0.00 O ATOM 435 CG2 THR A 27 2.091 21.764 13.391 1.00 0.00 C ATOM 0 H THR A 27 1.947 18.819 12.221 1.00 0.00 H new ATOM 0 HA THR A 27 4.354 20.108 11.360 1.00 0.00 H new ATOM 0 HB THR A 27 3.163 22.173 11.568 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.320 22.895 13.586 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.946 22.821 13.615 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.206 21.375 12.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.251 21.215 14.319 1.00 0.00 H new ATOM 443 N LYS A 28 3.280 19.151 14.305 1.00 0.00 N ATOM 444 CA LYS A 28 3.663 18.392 15.483 1.00 0.00 C ATOM 445 C LYS A 28 2.659 18.663 16.606 1.00 0.00 C ATOM 446 O LYS A 28 2.709 18.023 17.656 1.00 0.00 O ATOM 447 CB LYS A 28 5.112 18.695 15.868 1.00 0.00 C ATOM 448 CG LYS A 28 6.015 17.491 15.593 1.00 0.00 C ATOM 449 CD LYS A 28 7.150 17.411 16.615 1.00 0.00 C ATOM 450 CE LYS A 28 6.737 16.578 17.830 1.00 0.00 C ATOM 451 NZ LYS A 28 6.598 17.439 19.026 1.00 0.00 N ATOM 0 H LYS A 28 2.335 19.533 14.333 1.00 0.00 H new ATOM 0 HA LYS A 28 3.630 17.323 15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.469 19.558 15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.164 18.959 16.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.425 16.575 15.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.431 17.566 14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.032 16.970 16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.427 18.415 16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.793 16.072 17.627 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.481 15.803 18.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.317 16.858 19.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.507 17.902 19.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.872 18.163 18.850 1.00 0.00 H new ATOM 465 N GLN A 29 1.772 19.612 16.348 1.00 0.00 N ATOM 466 CA GLN A 29 0.758 19.975 17.324 1.00 0.00 C ATOM 467 C GLN A 29 -0.263 18.846 17.473 1.00 0.00 C ATOM 468 O GLN A 29 -1.327 18.880 16.857 1.00 0.00 O ATOM 469 CB GLN A 29 0.072 21.288 16.940 1.00 0.00 C ATOM 470 CG GLN A 29 0.802 22.486 17.549 1.00 0.00 C ATOM 471 CD GLN A 29 -0.033 23.762 17.416 1.00 0.00 C ATOM 472 OE1 GLN A 29 -0.278 24.477 18.374 1.00 0.00 O ATOM 473 NE2 GLN A 29 -0.455 24.006 16.179 1.00 0.00 N ATOM 0 H GLN A 29 1.734 20.141 15.477 1.00 0.00 H new ATOM 0 HA GLN A 29 1.246 20.127 18.287 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.047 21.386 15.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.963 21.276 17.282 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.012 22.292 18.601 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.763 22.622 17.052 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.214 23.366 15.422 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.020 24.833 15.987 1.00 0.00 H new ATOM 482 N TRP A 30 0.096 17.871 18.296 1.00 0.00 N ATOM 483 CA TRP A 30 -0.776 16.734 18.534 1.00 0.00 C ATOM 484 C TRP A 30 -1.657 17.058 19.742 1.00 0.00 C ATOM 485 O TRP A 30 -2.497 16.251 20.138 1.00 0.00 O ATOM 486 CB TRP A 30 0.035 15.449 18.714 1.00 0.00 C ATOM 487 CG TRP A 30 0.227 14.649 17.424 1.00 0.00 C ATOM 488 CD1 TRP A 30 1.291 14.638 16.610 1.00 0.00 C ATOM 489 CD2 TRP A 30 -0.721 13.737 16.829 1.00 0.00 C ATOM 490 NE1 TRP A 30 1.100 13.789 15.539 1.00 0.00 N ATOM 491 CE2 TRP A 30 -0.162 13.224 15.676 1.00 0.00 C ATOM 492 CE3 TRP A 30 -2.007 13.358 17.251 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -0.818 12.304 14.850 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -2.649 12.437 16.415 1.00 0.00 C ATOM 495 CH2 TRP A 30 -2.101 11.912 15.251 1.00 0.00 C ATOM 0 H TRP A 30 0.979 17.846 18.806 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.419 16.555 17.672 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.014 15.703 19.121 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.462 14.818 19.450 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.186 15.221 16.772 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.763 13.609 14.785 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -2.464 13.747 18.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.359 11.917 13.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.640 12.111 16.694 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.662 11.205 14.658 1.00 0.00 H new ATOM 506 N THR A 31 -1.435 18.242 20.296 1.00 0.00 N ATOM 507 CA THR A 31 -2.198 18.683 21.451 1.00 0.00 C ATOM 508 C THR A 31 -3.621 19.062 21.037 1.00 0.00 C ATOM 509 O THR A 31 -4.584 18.700 21.711 1.00 0.00 O ATOM 510 CB THR A 31 -1.432 19.830 22.113 1.00 0.00 C ATOM 511 OG1 THR A 31 -1.322 19.432 23.477 1.00 0.00 O ATOM 512 CG2 THR A 31 -2.247 21.124 22.167 1.00 0.00 C ATOM 0 H THR A 31 -0.737 18.909 19.966 1.00 0.00 H new ATOM 0 HA THR A 31 -2.308 17.882 22.182 1.00 0.00 H new ATOM 0 HB THR A 31 -0.504 20.008 21.570 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.836 20.119 23.980 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.657 21.906 22.646 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.506 21.434 21.154 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.159 20.956 22.739 1.00 0.00 H new ATOM 520 N LEU A 32 -3.708 19.785 19.930 1.00 0.00 N ATOM 521 CA LEU A 32 -4.998 20.217 19.418 1.00 0.00 C ATOM 522 C LEU A 32 -5.936 19.012 19.329 1.00 0.00 C ATOM 523 O LEU A 32 -7.156 19.166 19.359 1.00 0.00 O ATOM 524 CB LEU A 32 -4.826 20.963 18.094 1.00 0.00 C ATOM 525 CG LEU A 32 -5.251 20.202 16.836 1.00 0.00 C ATOM 526 CD1 LEU A 32 -4.472 18.892 16.698 1.00 0.00 C ATOM 527 CD2 LEU A 32 -6.764 19.974 16.818 1.00 0.00 C ATOM 0 H LEU A 32 -2.907 20.083 19.373 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.460 20.930 20.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.398 21.890 18.145 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.777 21.241 17.990 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.007 20.814 15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.793 18.371 15.796 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.406 19.108 16.632 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.662 18.263 17.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.039 19.431 15.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.055 19.393 17.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.277 20.936 16.835 1.00 0.00 H new ATOM 539 N ILE A 33 -5.330 17.838 19.220 1.00 0.00 N ATOM 540 CA ILE A 33 -6.096 16.607 19.125 1.00 0.00 C ATOM 541 C ILE A 33 -6.724 16.296 20.486 1.00 0.00 C ATOM 542 O ILE A 33 -7.901 15.946 20.565 1.00 0.00 O ATOM 543 CB ILE A 33 -5.225 15.475 18.578 1.00 0.00 C ATOM 544 CG1 ILE A 33 -4.952 15.667 17.084 1.00 0.00 C ATOM 545 CG2 ILE A 33 -5.849 14.110 18.875 1.00 0.00 C ATOM 546 CD1 ILE A 33 -3.574 16.292 16.855 1.00 0.00 C ATOM 0 H ILE A 33 -4.318 17.714 19.195 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.914 16.721 18.414 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.263 15.507 19.089 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.009 14.706 16.574 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.722 16.305 16.649 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.210 13.323 18.475 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.950 13.983 19.953 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.832 14.050 18.409 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.405 16.418 15.786 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.529 17.264 17.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.805 15.640 17.270 1.00 0.00 H new ATOM 558 N ALA A 34 -5.911 16.436 21.523 1.00 0.00 N ATOM 559 CA ALA A 34 -6.373 16.174 22.875 1.00 0.00 C ATOM 560 C ALA A 34 -6.668 17.503 23.574 1.00 0.00 C ATOM 561 O ALA A 34 -6.667 17.576 24.802 1.00 0.00 O ATOM 562 CB ALA A 34 -5.326 15.344 23.621 1.00 0.00 C ATOM 0 H ALA A 34 -4.936 16.727 21.454 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.297 15.596 22.860 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.673 15.148 24.635 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.173 14.399 23.100 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.386 15.894 23.659 1.00 0.00 H new ATOM 568 N LYS A 35 -6.915 18.520 22.762 1.00 0.00 N ATOM 569 CA LYS A 35 -7.211 19.842 23.287 1.00 0.00 C ATOM 570 C LYS A 35 -8.626 20.247 22.869 1.00 0.00 C ATOM 571 O LYS A 35 -9.318 20.948 23.605 1.00 0.00 O ATOM 572 CB LYS A 35 -6.135 20.842 22.861 1.00 0.00 C ATOM 573 CG LYS A 35 -6.129 22.066 23.778 1.00 0.00 C ATOM 574 CD LYS A 35 -6.944 23.210 23.171 1.00 0.00 C ATOM 575 CE LYS A 35 -6.143 23.942 22.093 1.00 0.00 C ATOM 576 NZ LYS A 35 -6.979 24.173 20.894 1.00 0.00 N ATOM 0 H LYS A 35 -6.916 18.455 21.744 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.190 19.832 24.377 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.157 20.361 22.884 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.312 21.155 21.832 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.541 21.798 24.751 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.103 22.394 23.945 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.865 22.817 22.741 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.232 23.911 23.954 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.784 24.895 22.482 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.264 23.356 21.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.784 25.120 20.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.758 23.457 20.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.984 24.105 21.153 1.00 0.00 H new ATOM 590 N HIS A 36 -9.014 19.787 21.688 1.00 0.00 N ATOM 591 CA HIS A 36 -10.334 20.092 21.163 1.00 0.00 C ATOM 592 C HIS A 36 -11.350 19.089 21.714 1.00 0.00 C ATOM 593 O HIS A 36 -12.557 19.293 21.593 1.00 0.00 O ATOM 594 CB HIS A 36 -10.314 20.136 19.634 1.00 0.00 C ATOM 595 CG HIS A 36 -9.310 21.107 19.061 1.00 0.00 C ATOM 596 ND1 HIS A 36 -9.552 21.849 17.918 1.00 0.00 N ATOM 597 CD2 HIS A 36 -8.060 21.451 19.485 1.00 0.00 C ATOM 598 CE1 HIS A 36 -8.489 22.602 17.674 1.00 0.00 C ATOM 599 NE2 HIS A 36 -7.565 22.353 18.646 1.00 0.00 N ATOM 0 H HIS A 36 -8.437 19.205 21.080 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.640 21.085 21.493 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.096 19.138 19.255 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.308 20.403 19.275 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -10.404 21.821 17.358 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.558 21.056 20.356 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.375 23.291 16.851 1.00 0.00 H new ATOM 607 N LEU A 37 -10.824 18.027 22.306 1.00 0.00 N ATOM 608 CA LEU A 37 -11.669 16.992 22.876 1.00 0.00 C ATOM 609 C LEU A 37 -11.053 16.500 24.187 1.00 0.00 C ATOM 610 O LEU A 37 -9.963 15.930 24.189 1.00 0.00 O ATOM 611 CB LEU A 37 -11.914 15.878 21.855 1.00 0.00 C ATOM 612 CG LEU A 37 -11.932 16.307 20.387 1.00 0.00 C ATOM 613 CD1 LEU A 37 -11.315 15.228 19.494 1.00 0.00 C ATOM 614 CD2 LEU A 37 -13.347 16.680 19.941 1.00 0.00 C ATOM 0 H LEU A 37 -9.822 17.861 22.403 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.653 17.394 23.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.142 15.119 21.982 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.868 15.404 22.086 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.317 17.201 20.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.340 15.557 18.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.282 15.054 19.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.883 14.303 19.595 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.331 16.981 18.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.005 15.819 20.061 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.715 17.506 20.550 1.00 0.00 H new ATOM 626 N LYS A 38 -11.777 16.738 25.270 1.00 0.00 N ATOM 627 CA LYS A 38 -11.315 16.326 26.585 1.00 0.00 C ATOM 628 C LYS A 38 -11.838 14.920 26.887 1.00 0.00 C ATOM 629 O LYS A 38 -12.836 14.488 26.312 1.00 0.00 O ATOM 630 CB LYS A 38 -11.702 17.365 27.639 1.00 0.00 C ATOM 631 CG LYS A 38 -13.210 17.354 27.893 1.00 0.00 C ATOM 632 CD LYS A 38 -13.618 16.131 28.717 1.00 0.00 C ATOM 633 CE LYS A 38 -14.484 16.539 29.911 1.00 0.00 C ATOM 634 NZ LYS A 38 -13.637 16.825 31.091 1.00 0.00 N ATOM 0 H LYS A 38 -12.681 17.211 25.264 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.226 16.274 26.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.172 17.160 28.569 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.393 18.356 27.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.501 18.264 28.418 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.743 17.350 26.942 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.167 15.430 28.088 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.727 15.612 29.070 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.073 17.420 29.657 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.189 15.741 30.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.240 17.100 31.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.094 15.975 31.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.982 17.601 30.868 1.00 0.00 H new ATOM 648 N GLY A 39 -11.140 14.245 27.788 1.00 0.00 N ATOM 649 CA GLY A 39 -11.521 12.897 28.174 1.00 0.00 C ATOM 650 C GLY A 39 -10.671 11.856 27.441 1.00 0.00 C ATOM 651 O GLY A 39 -11.206 10.929 26.834 1.00 0.00 O ATOM 0 H GLY A 39 -10.312 14.606 28.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.402 12.776 29.251 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.575 12.735 27.949 1.00 0.00 H new ATOM 655 N ARG A 40 -9.362 12.044 27.522 1.00 0.00 N ATOM 656 CA ARG A 40 -8.434 11.133 26.875 1.00 0.00 C ATOM 657 C ARG A 40 -7.014 11.701 26.921 1.00 0.00 C ATOM 658 O ARG A 40 -6.829 12.907 27.078 1.00 0.00 O ATOM 659 CB ARG A 40 -8.830 10.887 25.417 1.00 0.00 C ATOM 660 CG ARG A 40 -9.430 9.490 25.241 1.00 0.00 C ATOM 661 CD ARG A 40 -8.528 8.613 24.371 1.00 0.00 C ATOM 662 NE ARG A 40 -8.576 9.074 22.965 1.00 0.00 N ATOM 663 CZ ARG A 40 -7.640 8.792 22.049 1.00 0.00 C ATOM 664 NH1 ARG A 40 -6.577 8.049 22.385 1.00 0.00 N ATOM 665 NH2 ARG A 40 -7.766 9.253 20.798 1.00 0.00 N ATOM 0 H ARG A 40 -8.922 12.814 28.026 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.468 10.186 27.414 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.552 11.640 25.100 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.955 10.995 24.776 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.566 9.023 26.216 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.417 9.569 24.785 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.503 8.652 24.740 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.849 7.573 24.432 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.372 9.642 22.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.481 7.698 23.338 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.864 7.834 21.688 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.575 9.819 20.542 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.053 9.038 20.101 1.00 0.00 H new ATOM 679 N LEU A 41 -6.048 10.805 26.781 1.00 0.00 N ATOM 680 CA LEU A 41 -4.650 11.202 26.805 1.00 0.00 C ATOM 681 C LEU A 41 -4.234 11.671 25.410 1.00 0.00 C ATOM 682 O LEU A 41 -4.599 11.055 24.409 1.00 0.00 O ATOM 683 CB LEU A 41 -3.781 10.071 27.359 1.00 0.00 C ATOM 684 CG LEU A 41 -3.534 10.093 28.868 1.00 0.00 C ATOM 685 CD1 LEU A 41 -2.517 11.174 29.242 1.00 0.00 C ATOM 686 CD2 LEU A 41 -4.847 10.251 29.637 1.00 0.00 C ATOM 0 H LEU A 41 -6.206 9.806 26.651 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.504 12.044 27.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.249 9.121 27.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.816 10.099 26.852 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.105 9.134 29.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.360 11.168 30.321 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.572 10.975 28.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.894 12.150 28.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.642 10.264 30.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.327 11.186 29.348 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.508 9.416 29.404 1.00 0.00 H new ATOM 698 N GLY A 42 -3.475 12.757 25.387 1.00 0.00 N ATOM 699 CA GLY A 42 -3.005 13.316 24.131 1.00 0.00 C ATOM 700 C GLY A 42 -1.996 12.382 23.459 1.00 0.00 C ATOM 701 O GLY A 42 -1.628 12.588 22.304 1.00 0.00 O ATOM 0 H GLY A 42 -3.174 13.265 26.219 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.851 13.484 23.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.543 14.287 24.311 1.00 0.00 H new ATOM 705 N LYS A 43 -1.576 11.377 24.213 1.00 0.00 N ATOM 706 CA LYS A 43 -0.616 10.411 23.705 1.00 0.00 C ATOM 707 C LYS A 43 -1.261 9.601 22.578 1.00 0.00 C ATOM 708 O LYS A 43 -2.095 10.118 21.837 1.00 0.00 O ATOM 709 CB LYS A 43 -0.068 9.550 24.845 1.00 0.00 C ATOM 710 CG LYS A 43 1.430 9.293 24.667 1.00 0.00 C ATOM 711 CD LYS A 43 2.257 10.271 25.504 1.00 0.00 C ATOM 712 CE LYS A 43 2.514 9.712 26.905 1.00 0.00 C ATOM 713 NZ LYS A 43 1.266 9.718 27.702 1.00 0.00 N ATOM 0 H LYS A 43 -1.883 11.210 25.171 1.00 0.00 H new ATOM 0 HA LYS A 43 0.247 10.921 23.278 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.244 10.048 25.799 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.602 8.600 24.877 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.664 8.270 24.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.697 9.393 23.615 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.207 10.468 25.007 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.733 11.224 25.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.901 8.696 26.832 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.276 10.308 27.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.497 9.599 28.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.771 10.622 27.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.653 8.937 27.393 1.00 0.00 H new ATOM 727 N GLN A 44 -0.849 8.346 22.485 1.00 0.00 N ATOM 728 CA GLN A 44 -1.376 7.460 21.461 1.00 0.00 C ATOM 729 C GLN A 44 -1.671 8.244 20.181 1.00 0.00 C ATOM 730 O GLN A 44 -2.811 8.283 19.721 1.00 0.00 O ATOM 731 CB GLN A 44 -2.626 6.730 21.957 1.00 0.00 C ATOM 732 CG GLN A 44 -2.577 5.246 21.589 1.00 0.00 C ATOM 733 CD GLN A 44 -3.982 4.643 21.555 1.00 0.00 C ATOM 734 OE1 GLN A 44 -4.845 5.057 20.799 1.00 0.00 O ATOM 735 NE2 GLN A 44 -4.163 3.644 22.415 1.00 0.00 N ATOM 0 H GLN A 44 -0.156 7.921 23.102 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.621 6.707 21.237 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.709 6.837 23.039 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.515 7.187 21.522 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.102 5.125 20.616 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.964 4.708 22.312 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.397 3.347 23.020 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.067 3.175 22.469 1.00 0.00 H new ATOM 744 N CYS A 45 -0.623 8.850 19.641 1.00 0.00 N ATOM 745 CA CYS A 45 -0.755 9.631 18.423 1.00 0.00 C ATOM 746 C CYS A 45 0.050 8.942 17.320 1.00 0.00 C ATOM 747 O CYS A 45 0.798 8.003 17.588 1.00 0.00 O ATOM 748 CB CYS A 45 -0.314 11.081 18.631 1.00 0.00 C ATOM 749 SG CYS A 45 1.241 11.131 19.594 1.00 0.00 S ATOM 0 H CYS A 45 0.321 8.816 20.025 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.804 9.678 18.130 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.170 11.568 17.666 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.093 11.635 19.154 1.00 0.00 H new ATOM 0 HG CYS A 45 1.607 12.367 19.763 1.00 0.00 H new ATOM 755 N ARG A 46 -0.130 9.434 16.104 1.00 0.00 N ATOM 756 CA ARG A 46 0.571 8.877 14.959 1.00 0.00 C ATOM 757 C ARG A 46 0.732 7.364 15.120 1.00 0.00 C ATOM 758 O ARG A 46 1.736 6.897 15.655 1.00 0.00 O ATOM 759 CB ARG A 46 1.951 9.516 14.795 1.00 0.00 C ATOM 760 CG ARG A 46 2.548 9.889 16.153 1.00 0.00 C ATOM 761 CD ARG A 46 3.957 10.464 15.994 1.00 0.00 C ATOM 762 NE ARG A 46 4.742 10.229 17.226 1.00 0.00 N ATOM 763 CZ ARG A 46 6.081 10.185 17.267 1.00 0.00 C ATOM 764 NH1 ARG A 46 6.792 10.360 16.144 1.00 0.00 N ATOM 765 NH2 ARG A 46 6.709 9.966 18.430 1.00 0.00 N ATOM 0 H ARG A 46 -0.751 10.213 15.886 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.023 9.090 14.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.617 8.824 14.279 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.871 10.407 14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.907 10.619 16.648 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.581 9.008 16.794 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.454 10.000 15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.901 11.533 15.787 1.00 0.00 H new ATOM 0 HE ARG A 46 4.232 10.092 18.099 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.314 10.527 15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.811 10.327 16.175 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.168 9.833 19.284 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.728 9.933 18.461 1.00 0.00 H new ATOM 779 N GLU A 47 -0.273 6.641 14.648 1.00 0.00 N ATOM 780 CA GLU A 47 -0.255 5.190 14.733 1.00 0.00 C ATOM 781 C GLU A 47 -1.501 4.604 14.067 1.00 0.00 C ATOM 782 O GLU A 47 -2.069 3.628 14.554 1.00 0.00 O ATOM 783 CB GLU A 47 -0.142 4.728 16.187 1.00 0.00 C ATOM 784 CG GLU A 47 1.169 3.974 16.422 1.00 0.00 C ATOM 785 CD GLU A 47 1.011 2.932 17.532 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.446 1.860 17.227 1.00 0.00 O ATOM 787 OE2 GLU A 47 1.459 3.232 18.660 1.00 0.00 O ATOM 0 H GLU A 47 -1.105 7.032 14.206 1.00 0.00 H new ATOM 0 HA GLU A 47 0.623 4.825 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.194 5.590 16.852 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.986 4.084 16.434 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.481 3.484 15.500 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.955 4.680 16.690 1.00 0.00 H new ATOM 794 N ARG A 48 -1.889 5.225 12.962 1.00 0.00 N ATOM 795 CA ARG A 48 -3.058 4.777 12.224 1.00 0.00 C ATOM 796 C ARG A 48 -3.108 5.449 10.850 1.00 0.00 C ATOM 797 O ARG A 48 -3.311 4.783 9.836 1.00 0.00 O ATOM 798 CB ARG A 48 -4.346 5.094 12.986 1.00 0.00 C ATOM 799 CG ARG A 48 -5.495 4.199 12.517 1.00 0.00 C ATOM 800 CD ARG A 48 -5.949 4.583 11.107 1.00 0.00 C ATOM 801 NE ARG A 48 -7.426 4.659 11.054 1.00 0.00 N ATOM 802 CZ ARG A 48 -8.144 4.526 9.931 1.00 0.00 C ATOM 803 NH1 ARG A 48 -7.527 4.310 8.761 1.00 0.00 N ATOM 804 NH2 ARG A 48 -9.481 4.610 9.977 1.00 0.00 N ATOM 0 H ARG A 48 -1.415 6.034 12.560 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.979 3.697 12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.184 4.954 14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.612 6.141 12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.177 3.157 12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.333 4.285 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.517 5.543 10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.588 3.848 10.387 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.928 4.823 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.510 4.247 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.075 4.209 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.951 4.775 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.028 4.509 9.122 1.00 0.00 H new ATOM 818 N TRP A 49 -2.919 6.760 10.862 1.00 0.00 N ATOM 819 CA TRP A 49 -2.939 7.530 9.629 1.00 0.00 C ATOM 820 C TRP A 49 -1.560 8.166 9.446 1.00 0.00 C ATOM 821 O TRP A 49 -1.275 8.748 8.400 1.00 0.00 O ATOM 822 CB TRP A 49 -4.074 8.556 9.643 1.00 0.00 C ATOM 823 CG TRP A 49 -3.776 9.802 10.478 1.00 0.00 C ATOM 824 CD1 TRP A 49 -2.888 9.936 11.472 1.00 0.00 C ATOM 825 CD2 TRP A 49 -4.409 11.094 10.352 1.00 0.00 C ATOM 826 NE1 TRP A 49 -2.900 11.214 11.993 1.00 0.00 N ATOM 827 CE2 TRP A 49 -3.855 11.940 11.290 1.00 0.00 C ATOM 828 CE3 TRP A 49 -5.415 11.532 9.473 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -4.243 13.277 11.441 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -5.792 12.870 9.636 1.00 0.00 C ATOM 831 CH2 TRP A 49 -5.244 13.736 10.576 1.00 0.00 C ATOM 0 H TRP A 49 -2.751 7.309 11.705 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.140 6.885 8.774 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -4.287 8.860 8.618 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.976 8.080 10.028 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.243 9.143 11.822 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.316 11.562 12.754 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.862 10.887 8.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.794 13.919 12.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.563 13.257 8.986 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.589 14.758 10.639 1.00 0.00 H new ATOM 842 N HIS A 50 -0.741 8.035 10.479 1.00 0.00 N ATOM 843 CA HIS A 50 0.601 8.590 10.445 1.00 0.00 C ATOM 844 C HIS A 50 1.593 7.509 10.010 1.00 0.00 C ATOM 845 O HIS A 50 2.513 7.779 9.241 1.00 0.00 O ATOM 846 CB HIS A 50 0.963 9.219 11.792 1.00 0.00 C ATOM 847 CG HIS A 50 2.115 10.193 11.725 1.00 0.00 C ATOM 848 ND1 HIS A 50 3.372 9.837 11.266 1.00 0.00 N ATOM 849 CD2 HIS A 50 2.188 11.513 12.062 1.00 0.00 C ATOM 850 CE1 HIS A 50 4.157 10.902 11.330 1.00 0.00 C ATOM 851 NE2 HIS A 50 3.422 11.940 11.823 1.00 0.00 N ATOM 0 H HIS A 50 -0.981 7.552 11.345 1.00 0.00 H new ATOM 0 HA HIS A 50 0.647 9.394 9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.088 9.734 12.188 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.212 8.426 12.497 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.379 12.110 12.456 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.197 10.942 11.042 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.764 12.888 11.982 1.00 0.00 H new ATOM 859 N ASN A 51 1.371 6.307 10.523 1.00 0.00 N ATOM 860 CA ASN A 51 2.233 5.184 10.197 1.00 0.00 C ATOM 861 C ASN A 51 1.448 4.168 9.364 1.00 0.00 C ATOM 862 O ASN A 51 1.303 3.014 9.762 1.00 0.00 O ATOM 863 CB ASN A 51 2.722 4.479 11.464 1.00 0.00 C ATOM 864 CG ASN A 51 3.362 5.475 12.433 1.00 0.00 C ATOM 865 OD1 ASN A 51 2.496 6.312 12.999 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 4.562 5.483 12.653 1.00 0.00 N flip ATOM 0 H ASN A 51 0.607 6.087 11.162 1.00 0.00 H new ATOM 0 HA ASN A 51 3.090 5.567 9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.886 3.978 11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.445 3.708 11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.171 4.812 12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.956 6.160 13.306 1.00 0.00 H new ATOM 873 N HIS A 52 0.963 4.636 8.223 1.00 0.00 N ATOM 874 CA HIS A 52 0.197 3.783 7.331 1.00 0.00 C ATOM 875 C HIS A 52 0.750 3.900 5.909 1.00 0.00 C ATOM 876 O HIS A 52 0.945 2.892 5.230 1.00 0.00 O ATOM 877 CB HIS A 52 -1.295 4.109 7.416 1.00 0.00 C ATOM 878 CG HIS A 52 -2.164 2.926 7.772 1.00 0.00 C ATOM 879 ND1 HIS A 52 -3.209 2.496 6.974 1.00 0.00 N ATOM 880 CD2 HIS A 52 -2.130 2.088 8.848 1.00 0.00 C ATOM 881 CE1 HIS A 52 -3.773 1.446 7.554 1.00 0.00 C ATOM 882 NE2 HIS A 52 -3.103 1.196 8.715 1.00 0.00 N ATOM 0 H HIS A 52 1.086 5.594 7.896 1.00 0.00 H new ATOM 0 HA HIS A 52 0.300 2.743 7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.443 4.892 8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.623 4.512 6.458 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.430 2.142 9.669 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.615 0.887 7.174 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.315 0.446 9.373 1.00 0.00 H new ATOM 890 N LEU A 53 0.985 5.138 5.500 1.00 0.00 N ATOM 891 CA LEU A 53 1.512 5.399 4.171 1.00 0.00 C ATOM 892 C LEU A 53 2.564 4.344 3.827 1.00 0.00 C ATOM 893 O LEU A 53 3.586 4.237 4.504 1.00 0.00 O ATOM 894 CB LEU A 53 2.027 6.837 4.072 1.00 0.00 C ATOM 895 CG LEU A 53 2.202 7.391 2.657 1.00 0.00 C ATOM 896 CD1 LEU A 53 1.575 8.781 2.531 1.00 0.00 C ATOM 897 CD2 LEU A 53 3.675 7.387 2.245 1.00 0.00 C ATOM 0 H LEU A 53 0.820 5.971 6.065 1.00 0.00 H new ATOM 0 HA LEU A 53 0.722 5.316 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.338 7.486 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.987 6.894 4.584 1.00 0.00 H new ATOM 0 HG LEU A 53 1.673 6.735 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.713 9.152 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.510 8.721 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.055 9.462 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.771 7.786 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.248 8.006 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.057 6.366 2.270 1.00 0.00 H new ATOM 909 N ASN A 54 2.279 3.590 2.775 1.00 0.00 N ATOM 910 CA ASN A 54 3.189 2.547 2.333 1.00 0.00 C ATOM 911 C ASN A 54 3.086 2.397 0.814 1.00 0.00 C ATOM 912 O ASN A 54 2.338 1.556 0.319 1.00 0.00 O ATOM 913 CB ASN A 54 2.832 1.201 2.966 1.00 0.00 C ATOM 914 CG ASN A 54 3.588 0.057 2.286 1.00 0.00 C ATOM 915 OD1 ASN A 54 4.805 0.042 2.212 1.00 0.00 O ATOM 916 ND2 ASN A 54 2.800 -0.896 1.796 1.00 0.00 N ATOM 0 H ASN A 54 1.431 3.681 2.216 1.00 0.00 H new ATOM 0 HA ASN A 54 4.198 2.830 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.073 1.220 4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.758 1.031 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.208 -1.702 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.787 -0.820 1.893 1.00 0.00 H new ATOM 923 N PRO A 55 3.869 3.248 0.098 1.00 0.00 N ATOM 924 CA PRO A 55 3.874 3.218 -1.354 1.00 0.00 C ATOM 925 C PRO A 55 4.652 2.008 -1.876 1.00 0.00 C ATOM 926 O PRO A 55 4.816 1.018 -1.165 1.00 0.00 O ATOM 927 CB PRO A 55 4.487 4.544 -1.773 1.00 0.00 C ATOM 928 CG PRO A 55 5.226 5.066 -0.552 1.00 0.00 C ATOM 929 CD PRO A 55 4.768 4.257 0.651 1.00 0.00 C ATOM 0 HA PRO A 55 2.875 3.105 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.167 4.411 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.717 5.246 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.303 4.971 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.016 6.125 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.613 3.797 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.257 4.886 1.380 1.00 0.00 H new ATOM 937 N GLU A 56 5.111 2.128 -3.113 1.00 0.00 N ATOM 938 CA GLU A 56 5.868 1.057 -3.737 1.00 0.00 C ATOM 939 C GLU A 56 7.328 1.103 -3.281 1.00 0.00 C ATOM 940 O GLU A 56 7.669 1.832 -2.351 1.00 0.00 O ATOM 941 CB GLU A 56 5.767 1.131 -5.262 1.00 0.00 C ATOM 942 CG GLU A 56 5.420 -0.236 -5.856 1.00 0.00 C ATOM 943 CD GLU A 56 3.984 -0.255 -6.384 1.00 0.00 C ATOM 944 OE1 GLU A 56 3.777 0.301 -7.484 1.00 0.00 O ATOM 945 OE2 GLU A 56 3.127 -0.826 -5.676 1.00 0.00 O ATOM 0 H GLU A 56 4.973 2.951 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 56 5.440 0.105 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.006 1.858 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.712 1.482 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.112 -0.471 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.542 -1.008 -5.097 1.00 0.00 H new ATOM 952 N VAL A 57 8.151 0.314 -3.958 1.00 0.00 N ATOM 953 CA VAL A 57 9.566 0.256 -3.634 1.00 0.00 C ATOM 954 C VAL A 57 10.249 1.537 -4.117 1.00 0.00 C ATOM 955 O VAL A 57 11.408 1.787 -3.792 1.00 0.00 O ATOM 956 CB VAL A 57 10.186 -1.012 -4.224 1.00 0.00 C ATOM 957 CG1 VAL A 57 11.661 -0.793 -4.566 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.013 -2.200 -3.276 1.00 0.00 C ATOM 0 H VAL A 57 7.865 -0.290 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 57 9.709 0.200 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 57 9.658 -1.243 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.078 -1.710 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.750 0.011 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.208 -0.525 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.463 -3.088 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.502 -1.982 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.951 -2.378 -3.105 1.00 0.00 H new ATOM 968 N LYS A 58 9.500 2.314 -4.886 1.00 0.00 N ATOM 969 CA LYS A 58 10.019 3.563 -5.418 1.00 0.00 C ATOM 970 C LYS A 58 9.022 4.136 -6.427 1.00 0.00 C ATOM 971 O LYS A 58 8.080 3.455 -6.830 1.00 0.00 O ATOM 972 CB LYS A 58 11.424 3.360 -5.989 1.00 0.00 C ATOM 973 CG LYS A 58 12.446 4.229 -5.253 1.00 0.00 C ATOM 974 CD LYS A 58 13.353 4.964 -6.242 1.00 0.00 C ATOM 975 CE LYS A 58 14.812 4.533 -6.072 1.00 0.00 C ATOM 976 NZ LYS A 58 15.725 5.607 -6.524 1.00 0.00 N ATOM 0 H LYS A 58 8.539 2.103 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 58 10.127 4.300 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.706 2.311 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.428 3.607 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.928 4.952 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.050 3.606 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.026 4.760 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.268 6.040 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.008 4.297 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.998 3.624 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.711 5.299 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.548 5.813 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.558 6.465 -5.960 1.00 0.00 H new ATOM 990 N LYS A 59 9.263 5.383 -6.806 1.00 0.00 N ATOM 991 CA LYS A 59 8.397 6.055 -7.760 1.00 0.00 C ATOM 992 C LYS A 59 9.039 6.004 -9.148 1.00 0.00 C ATOM 993 O LYS A 59 8.345 6.081 -10.160 1.00 0.00 O ATOM 994 CB LYS A 59 8.074 7.473 -7.283 1.00 0.00 C ATOM 995 CG LYS A 59 9.350 8.233 -6.918 1.00 0.00 C ATOM 996 CD LYS A 59 9.526 8.312 -5.400 1.00 0.00 C ATOM 997 CE LYS A 59 10.629 9.304 -5.027 1.00 0.00 C ATOM 998 NZ LYS A 59 11.951 8.793 -5.453 1.00 0.00 N ATOM 0 H LYS A 59 10.045 5.945 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 59 7.438 5.542 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.538 8.010 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.413 7.428 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.213 7.737 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.311 9.239 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.587 8.615 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.771 7.325 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.435 10.267 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.627 9.471 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.692 9.462 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.125 7.869 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.966 8.688 -6.488 1.00 0.00 H new ATOM 1012 N SER A 60 10.358 5.876 -9.150 1.00 0.00 N ATOM 1013 CA SER A 60 11.101 5.814 -10.397 1.00 0.00 C ATOM 1014 C SER A 60 12.222 4.778 -10.288 1.00 0.00 C ATOM 1015 O SER A 60 13.401 5.129 -10.308 1.00 0.00 O ATOM 1016 CB SER A 60 11.678 7.183 -10.763 1.00 0.00 C ATOM 1017 OG SER A 60 12.636 7.632 -9.808 1.00 0.00 O ATOM 0 H SER A 60 10.931 5.814 -8.308 1.00 0.00 H new ATOM 0 HA SER A 60 10.414 5.515 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.145 7.128 -11.746 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.869 7.910 -10.834 1.00 0.00 H new ATOM 0 HG SER A 60 13.328 6.947 -9.692 1.00 0.00 H new ATOM 1023 N SER A 61 11.815 3.523 -10.173 1.00 0.00 N ATOM 1024 CA SER A 61 12.770 2.434 -10.060 1.00 0.00 C ATOM 1025 C SER A 61 12.032 1.095 -9.991 1.00 0.00 C ATOM 1026 O SER A 61 10.924 0.966 -10.509 1.00 0.00 O ATOM 1027 CB SER A 61 13.664 2.610 -8.831 1.00 0.00 C ATOM 1028 OG SER A 61 13.037 2.138 -7.642 1.00 0.00 O ATOM 0 H SER A 61 10.836 3.236 -10.156 1.00 0.00 H new ATOM 0 HA SER A 61 13.407 2.446 -10.944 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.600 2.074 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.916 3.664 -8.714 1.00 0.00 H new ATOM 0 HG SER A 61 13.720 1.815 -7.018 1.00 0.00 H new ATOM 1034 N TRP A 62 12.676 0.133 -9.347 1.00 0.00 N ATOM 1035 CA TRP A 62 12.095 -1.191 -9.204 1.00 0.00 C ATOM 1036 C TRP A 62 10.810 -1.057 -8.385 1.00 0.00 C ATOM 1037 O TRP A 62 10.500 0.022 -7.881 1.00 0.00 O ATOM 1038 CB TRP A 62 13.098 -2.167 -8.587 1.00 0.00 C ATOM 1039 CG TRP A 62 14.438 -2.231 -9.323 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.549 -1.524 -9.078 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.763 -3.082 -10.443 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.563 -1.855 -9.953 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.070 -2.833 -10.810 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.979 -4.030 -11.123 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.708 -3.491 -11.868 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.631 -4.679 -12.178 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.946 -4.440 -12.560 1.00 0.00 C ATOM 0 H TRP A 62 13.595 0.244 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 62 11.845 -1.609 -10.179 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.278 -1.880 -7.551 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.656 -3.163 -8.570 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.640 -0.787 -8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.502 -1.456 -9.968 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.955 -4.241 -10.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.732 -3.278 -12.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.073 -5.418 -12.734 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.378 -4.984 -13.387 1.00 0.00 H new ATOM 1058 N THR A 63 10.096 -2.168 -8.277 1.00 0.00 N ATOM 1059 CA THR A 63 8.851 -2.188 -7.528 1.00 0.00 C ATOM 1060 C THR A 63 8.841 -3.357 -6.541 1.00 0.00 C ATOM 1061 O THR A 63 9.897 -3.856 -6.154 1.00 0.00 O ATOM 1062 CB THR A 63 7.696 -2.229 -8.530 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.668 -3.584 -8.971 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.994 -1.430 -9.800 1.00 0.00 C ATOM 0 H THR A 63 10.356 -3.061 -8.696 1.00 0.00 H new ATOM 0 HA THR A 63 8.741 -1.290 -6.921 1.00 0.00 H new ATOM 0 HB THR A 63 6.793 -1.839 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.738 -3.882 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.142 -1.492 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.175 -0.387 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.877 -1.841 -10.289 1.00 0.00 H new ATOM 1072 N GLU A 64 7.637 -3.760 -6.162 1.00 0.00 N ATOM 1073 CA GLU A 64 7.476 -4.862 -5.228 1.00 0.00 C ATOM 1074 C GLU A 64 7.588 -6.200 -5.961 1.00 0.00 C ATOM 1075 O GLU A 64 8.641 -6.837 -5.941 1.00 0.00 O ATOM 1076 CB GLU A 64 6.146 -4.756 -4.480 1.00 0.00 C ATOM 1077 CG GLU A 64 6.278 -3.853 -3.252 1.00 0.00 C ATOM 1078 CD GLU A 64 5.553 -4.456 -2.047 1.00 0.00 C ATOM 1079 OE1 GLU A 64 4.304 -4.407 -2.053 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.265 -4.954 -1.147 1.00 0.00 O ATOM 0 H GLU A 64 6.764 -3.343 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 64 8.276 -4.807 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.380 -4.359 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.818 -5.749 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.332 -3.710 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.865 -2.869 -3.474 1.00 0.00 H new ATOM 1087 N GLU A 65 6.489 -6.587 -6.591 1.00 0.00 N ATOM 1088 CA GLU A 65 6.450 -7.838 -7.329 1.00 0.00 C ATOM 1089 C GLU A 65 7.707 -7.987 -8.187 1.00 0.00 C ATOM 1090 O GLU A 65 8.197 -9.097 -8.391 1.00 0.00 O ATOM 1091 CB GLU A 65 5.186 -7.930 -8.186 1.00 0.00 C ATOM 1092 CG GLU A 65 3.931 -7.947 -7.312 1.00 0.00 C ATOM 1093 CD GLU A 65 2.889 -8.920 -7.868 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.197 -10.131 -7.886 1.00 0.00 O ATOM 1095 OE2 GLU A 65 1.808 -8.431 -8.261 1.00 0.00 O ATOM 0 H GLU A 65 5.618 -6.056 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 65 6.424 -8.659 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.145 -7.083 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.221 -8.833 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.196 -8.235 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.506 -6.945 -7.260 1.00 0.00 H new ATOM 1102 N GLU A 66 8.194 -6.853 -8.669 1.00 0.00 N ATOM 1103 CA GLU A 66 9.385 -6.843 -9.501 1.00 0.00 C ATOM 1104 C GLU A 66 10.604 -7.283 -8.688 1.00 0.00 C ATOM 1105 O GLU A 66 11.467 -8.000 -9.194 1.00 0.00 O ATOM 1106 CB GLU A 66 9.610 -5.462 -10.121 1.00 0.00 C ATOM 1107 CG GLU A 66 8.604 -5.194 -11.242 1.00 0.00 C ATOM 1108 CD GLU A 66 9.187 -4.239 -12.285 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.309 -4.527 -12.753 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.496 -3.243 -12.591 1.00 0.00 O ATOM 0 H GLU A 66 7.785 -5.934 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 66 9.240 -7.552 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.516 -4.695 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.624 -5.397 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.327 -6.134 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.692 -4.768 -10.823 1.00 0.00 H new ATOM 1117 N ASP A 67 10.637 -6.837 -7.441 1.00 0.00 N ATOM 1118 CA ASP A 67 11.737 -7.176 -6.553 1.00 0.00 C ATOM 1119 C ASP A 67 11.787 -8.694 -6.368 1.00 0.00 C ATOM 1120 O ASP A 67 12.827 -9.315 -6.581 1.00 0.00 O ATOM 1121 CB ASP A 67 11.550 -6.537 -5.176 1.00 0.00 C ATOM 1122 CG ASP A 67 12.847 -6.191 -4.442 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.523 -7.147 -4.004 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.132 -4.979 -4.335 1.00 0.00 O ATOM 0 H ASP A 67 9.920 -6.244 -7.024 1.00 0.00 H new ATOM 0 HA ASP A 67 12.659 -6.804 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.962 -5.627 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.968 -7.216 -4.553 1.00 0.00 H new ATOM 1129 N ARG A 68 10.649 -9.247 -5.972 1.00 0.00 N ATOM 1130 CA ARG A 68 10.550 -10.680 -5.756 1.00 0.00 C ATOM 1131 C ARG A 68 10.947 -11.438 -7.024 1.00 0.00 C ATOM 1132 O ARG A 68 11.946 -12.156 -7.036 1.00 0.00 O ATOM 1133 CB ARG A 68 9.129 -11.080 -5.355 1.00 0.00 C ATOM 1134 CG ARG A 68 8.698 -10.363 -4.074 1.00 0.00 C ATOM 1135 CD ARG A 68 9.132 -11.147 -2.834 1.00 0.00 C ATOM 1136 NE ARG A 68 8.511 -12.490 -2.842 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.647 -13.387 -1.856 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.383 -13.089 -0.776 1.00 0.00 N ATOM 1139 NH2 ARG A 68 8.047 -14.582 -1.948 1.00 0.00 N ATOM 0 H ARG A 68 9.789 -8.728 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 68 11.231 -10.940 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.438 -10.837 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.079 -12.159 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.134 -9.364 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.615 -10.239 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.218 -11.239 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.841 -10.608 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 68 7.944 -12.749 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.839 -12.180 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.487 -13.772 -0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.486 -14.809 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.151 -15.264 -1.197 1.00 0.00 H new ATOM 1153 N ILE A 69 10.145 -11.252 -8.062 1.00 0.00 N ATOM 1154 CA ILE A 69 10.400 -11.909 -9.333 1.00 0.00 C ATOM 1155 C ILE A 69 11.907 -12.101 -9.509 1.00 0.00 C ATOM 1156 O ILE A 69 12.359 -13.182 -9.882 1.00 0.00 O ATOM 1157 CB ILE A 69 9.740 -11.136 -10.477 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.215 -11.197 -10.373 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.242 -11.632 -11.834 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.562 -10.148 -11.274 1.00 0.00 C ATOM 0 H ILE A 69 9.318 -10.655 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 69 9.948 -12.901 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 69 10.026 -10.088 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.867 -12.191 -10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.911 -11.034 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.758 -11.066 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.321 -11.493 -11.895 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.005 -12.690 -11.945 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.478 -10.213 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.893 -9.154 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.849 -10.329 -12.310 1.00 0.00 H new ATOM 1172 N ILE A 70 12.644 -11.035 -9.231 1.00 0.00 N ATOM 1173 CA ILE A 70 14.091 -11.073 -9.354 1.00 0.00 C ATOM 1174 C ILE A 70 14.647 -12.174 -8.448 1.00 0.00 C ATOM 1175 O ILE A 70 15.252 -13.131 -8.928 1.00 0.00 O ATOM 1176 CB ILE A 70 14.689 -9.692 -9.081 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.952 -8.609 -9.872 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.193 -9.680 -9.358 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.841 -8.038 -10.979 1.00 0.00 C ATOM 0 H ILE A 70 12.266 -10.140 -8.921 1.00 0.00 H new ATOM 0 HA ILE A 70 14.380 -11.323 -10.375 1.00 0.00 H new ATOM 0 HB ILE A 70 14.555 -9.466 -8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.045 -9.026 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.643 -7.809 -9.199 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.592 -8.686 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.687 -10.408 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.373 -9.938 -10.402 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.293 -7.271 -11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.736 -7.600 -10.537 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.128 -8.836 -11.663 1.00 0.00 H new ATOM 1191 N PHE A 71 14.422 -12.001 -7.154 1.00 0.00 N ATOM 1192 CA PHE A 71 14.893 -12.967 -6.177 1.00 0.00 C ATOM 1193 C PHE A 71 14.348 -14.364 -6.481 1.00 0.00 C ATOM 1194 O PHE A 71 15.116 -15.313 -6.636 1.00 0.00 O ATOM 1195 CB PHE A 71 14.369 -12.515 -4.812 1.00 0.00 C ATOM 1196 CG PHE A 71 13.898 -13.662 -3.915 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.613 -14.817 -3.857 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.765 -13.525 -3.175 1.00 0.00 C ATOM 1199 CE1 PHE A 71 14.177 -15.881 -3.024 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.328 -14.589 -2.343 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.043 -15.745 -2.285 1.00 0.00 C ATOM 0 H PHE A 71 13.920 -11.206 -6.760 1.00 0.00 H new ATOM 0 HA PHE A 71 15.982 -13.017 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.156 -11.964 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.541 -11.822 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.513 -14.925 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.198 -12.607 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.746 -16.798 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.428 -14.481 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.710 -16.555 -1.652 1.00 0.00 H new ATOM 1211 N GLU A 72 13.028 -14.447 -6.557 1.00 0.00 N ATOM 1212 CA GLU A 72 12.372 -15.712 -6.841 1.00 0.00 C ATOM 1213 C GLU A 72 12.890 -16.295 -8.157 1.00 0.00 C ATOM 1214 O GLU A 72 12.701 -17.479 -8.432 1.00 0.00 O ATOM 1215 CB GLU A 72 10.852 -15.546 -6.875 1.00 0.00 C ATOM 1216 CG GLU A 72 10.369 -15.206 -8.286 1.00 0.00 C ATOM 1217 CD GLU A 72 9.951 -16.469 -9.042 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.889 -17.021 -8.681 1.00 0.00 O ATOM 1219 OE2 GLU A 72 10.703 -16.854 -9.963 1.00 0.00 O ATOM 0 H GLU A 72 12.395 -13.658 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 72 12.610 -16.410 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.375 -16.465 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.553 -14.757 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.527 -14.516 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.162 -14.696 -8.833 1.00 0.00 H new ATOM 1226 N ALA A 73 13.532 -15.437 -8.935 1.00 0.00 N ATOM 1227 CA ALA A 73 14.079 -15.852 -10.216 1.00 0.00 C ATOM 1228 C ALA A 73 15.545 -16.250 -10.036 1.00 0.00 C ATOM 1229 O ALA A 73 16.006 -17.222 -10.631 1.00 0.00 O ATOM 1230 CB ALA A 73 13.901 -14.726 -11.236 1.00 0.00 C ATOM 0 H ALA A 73 13.686 -14.456 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 73 13.546 -16.723 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.311 -15.037 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.840 -14.502 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.425 -13.835 -10.889 1.00 0.00 H new ATOM 1236 N HIS A 74 16.237 -15.477 -9.211 1.00 0.00 N ATOM 1237 CA HIS A 74 17.642 -15.736 -8.944 1.00 0.00 C ATOM 1238 C HIS A 74 17.794 -17.108 -8.284 1.00 0.00 C ATOM 1239 O HIS A 74 18.901 -17.638 -8.193 1.00 0.00 O ATOM 1240 CB HIS A 74 18.254 -14.607 -8.114 1.00 0.00 C ATOM 1241 CG HIS A 74 19.725 -14.382 -8.373 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.717 -14.869 -7.540 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.360 -13.717 -9.381 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.892 -14.508 -8.034 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.669 -13.794 -9.174 1.00 0.00 N ATOM 0 H HIS A 74 15.851 -14.671 -8.719 1.00 0.00 H new ATOM 0 HA HIS A 74 18.196 -15.760 -9.882 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.714 -13.683 -8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.112 -14.829 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.879 -13.214 -10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.857 -14.739 -7.608 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.389 -13.386 -9.770 1.00 0.00 H new ATOM 1253 N LYS A 75 16.667 -17.644 -7.840 1.00 0.00 N ATOM 1254 CA LYS A 75 16.661 -18.944 -7.191 1.00 0.00 C ATOM 1255 C LYS A 75 16.160 -20.000 -8.178 1.00 0.00 C ATOM 1256 O LYS A 75 15.805 -21.108 -7.779 1.00 0.00 O ATOM 1257 CB LYS A 75 15.859 -18.889 -5.889 1.00 0.00 C ATOM 1258 CG LYS A 75 14.379 -19.178 -6.144 1.00 0.00 C ATOM 1259 CD LYS A 75 13.535 -18.850 -4.910 1.00 0.00 C ATOM 1260 CE LYS A 75 13.388 -20.075 -4.006 1.00 0.00 C ATOM 1261 NZ LYS A 75 12.314 -20.963 -4.506 1.00 0.00 N ATOM 0 H LYS A 75 15.751 -17.202 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 75 17.672 -19.231 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.258 -19.615 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.968 -17.905 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.031 -18.590 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.250 -20.228 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.999 -18.036 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.550 -18.502 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.331 -20.621 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.161 -19.758 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.228 -21.790 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.413 -20.444 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.546 -21.280 -5.469 1.00 0.00 H new ATOM 1275 N VAL A 76 16.146 -19.619 -9.446 1.00 0.00 N ATOM 1276 CA VAL A 76 15.694 -20.519 -10.493 1.00 0.00 C ATOM 1277 C VAL A 76 16.830 -20.742 -11.494 1.00 0.00 C ATOM 1278 O VAL A 76 17.012 -21.850 -11.996 1.00 0.00 O ATOM 1279 CB VAL A 76 14.424 -19.969 -11.144 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.566 -21.100 -11.716 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.623 -19.121 -10.154 1.00 0.00 C ATOM 0 H VAL A 76 16.441 -18.699 -9.773 1.00 0.00 H new ATOM 0 HA VAL A 76 15.434 -21.491 -10.074 1.00 0.00 H new ATOM 0 HB VAL A 76 14.724 -19.325 -11.971 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.669 -20.681 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.136 -21.644 -12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.280 -21.781 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.725 -18.742 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.340 -19.732 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.233 -18.283 -9.816 1.00 0.00 H new ATOM 1291 N LEU A 77 17.565 -19.671 -11.754 1.00 0.00 N ATOM 1292 CA LEU A 77 18.678 -19.736 -12.686 1.00 0.00 C ATOM 1293 C LEU A 77 19.962 -19.310 -11.971 1.00 0.00 C ATOM 1294 O LEU A 77 20.832 -20.137 -11.704 1.00 0.00 O ATOM 1295 CB LEU A 77 18.374 -18.917 -13.942 1.00 0.00 C ATOM 1296 CG LEU A 77 16.896 -18.788 -14.317 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.336 -17.432 -13.884 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.685 -19.045 -15.811 1.00 0.00 C ATOM 0 H LEU A 77 17.412 -18.753 -11.336 1.00 0.00 H new ATOM 0 HA LEU A 77 18.828 -20.760 -13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.783 -17.916 -13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.904 -19.367 -14.782 1.00 0.00 H new ATOM 0 HG LEU A 77 16.339 -19.553 -13.777 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.284 -17.367 -14.163 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.432 -17.327 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.892 -16.635 -14.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.626 -18.947 -16.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.257 -18.319 -16.389 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.021 -20.052 -16.058 1.00 0.00 H new ATOM 1310 N GLY A 78 20.039 -18.019 -11.680 1.00 0.00 N ATOM 1311 CA GLY A 78 21.202 -17.474 -11.001 1.00 0.00 C ATOM 1312 C GLY A 78 21.448 -16.022 -11.414 1.00 0.00 C ATOM 1313 O GLY A 78 20.590 -15.162 -11.215 1.00 0.00 O ATOM 0 H GLY A 78 19.315 -17.336 -11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.057 -17.529 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.080 -18.076 -11.236 1.00 0.00 H new ATOM 1317 N ASN A 79 22.622 -15.792 -11.983 1.00 0.00 N ATOM 1318 CA ASN A 79 22.991 -14.459 -12.427 1.00 0.00 C ATOM 1319 C ASN A 79 22.513 -14.254 -13.866 1.00 0.00 C ATOM 1320 O ASN A 79 23.030 -13.396 -14.580 1.00 0.00 O ATOM 1321 CB ASN A 79 24.509 -14.270 -12.402 1.00 0.00 C ATOM 1322 CG ASN A 79 25.225 -15.612 -12.233 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.120 -16.509 -13.053 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.958 -15.698 -11.127 1.00 0.00 N ATOM 0 H ASN A 79 23.331 -16.507 -12.147 1.00 0.00 H new ATOM 0 HA ASN A 79 22.527 -13.739 -11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.835 -13.793 -13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.783 -13.602 -11.585 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.476 -16.553 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.003 -14.909 -10.482 1.00 0.00 H new ATOM 1331 N ARG A 80 21.531 -15.057 -14.249 1.00 0.00 N ATOM 1332 CA ARG A 80 20.977 -14.974 -15.590 1.00 0.00 C ATOM 1333 C ARG A 80 20.128 -13.710 -15.737 1.00 0.00 C ATOM 1334 O ARG A 80 18.958 -13.783 -16.109 1.00 0.00 O ATOM 1335 CB ARG A 80 20.115 -16.199 -15.906 1.00 0.00 C ATOM 1336 CG ARG A 80 20.613 -16.909 -17.166 1.00 0.00 C ATOM 1337 CD ARG A 80 19.461 -17.605 -17.894 1.00 0.00 C ATOM 1338 NE ARG A 80 19.770 -19.041 -18.072 1.00 0.00 N ATOM 1339 CZ ARG A 80 19.220 -19.816 -19.018 1.00 0.00 C ATOM 1340 NH1 ARG A 80 18.331 -19.298 -19.876 1.00 0.00 N ATOM 1341 NH2 ARG A 80 19.560 -21.109 -19.105 1.00 0.00 N ATOM 0 H ARG A 80 21.105 -15.768 -13.654 1.00 0.00 H new ATOM 0 HA ARG A 80 21.810 -14.939 -16.292 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.135 -16.890 -15.063 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.078 -15.893 -16.043 1.00 0.00 H new ATOM 0 HG2 ARG A 80 21.086 -16.187 -17.832 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.374 -17.642 -16.898 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.538 -17.491 -17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.297 -17.137 -18.865 1.00 0.00 H new ATOM 0 HE ARG A 80 20.443 -19.468 -17.436 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.072 -18.314 -19.810 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.913 -19.888 -20.595 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.237 -21.503 -18.452 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.142 -21.699 -19.824 1.00 0.00 H new ATOM 1355 N TRP A 81 20.750 -12.580 -15.436 1.00 0.00 N ATOM 1356 CA TRP A 81 20.067 -11.301 -15.530 1.00 0.00 C ATOM 1357 C TRP A 81 19.434 -11.204 -16.920 1.00 0.00 C ATOM 1358 O TRP A 81 18.349 -10.645 -17.074 1.00 0.00 O ATOM 1359 CB TRP A 81 21.022 -10.145 -15.227 1.00 0.00 C ATOM 1360 CG TRP A 81 22.037 -10.450 -14.123 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.372 -10.514 -14.225 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.743 -10.731 -12.739 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.957 -10.814 -13.012 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.936 -10.951 -12.080 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.511 -10.798 -12.065 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.013 -11.252 -10.715 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.605 -11.100 -10.701 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.798 -11.324 -10.023 1.00 0.00 C ATOM 0 H TRP A 81 21.720 -12.523 -15.127 1.00 0.00 H new ATOM 0 HA TRP A 81 19.278 -11.230 -14.782 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.559 -9.883 -16.138 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.438 -9.271 -14.938 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.920 -10.351 -15.141 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.956 -10.916 -12.833 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.566 -10.630 -12.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.959 -11.420 -10.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.687 -11.163 -10.136 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.788 -11.552 -8.967 1.00 0.00 H new ATOM 1379 N ALA A 82 20.139 -11.758 -17.896 1.00 0.00 N ATOM 1380 CA ALA A 82 19.659 -11.741 -19.267 1.00 0.00 C ATOM 1381 C ALA A 82 18.285 -12.410 -19.331 1.00 0.00 C ATOM 1382 O ALA A 82 17.498 -12.135 -20.236 1.00 0.00 O ATOM 1383 CB ALA A 82 20.683 -12.426 -20.175 1.00 0.00 C ATOM 0 H ALA A 82 21.038 -12.221 -17.764 1.00 0.00 H new ATOM 0 HA ALA A 82 19.543 -10.716 -19.620 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.323 -12.413 -21.204 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.633 -11.896 -20.117 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.823 -13.458 -19.852 1.00 0.00 H new ATOM 1389 N GLU A 83 18.037 -13.274 -18.358 1.00 0.00 N ATOM 1390 CA GLU A 83 16.771 -13.984 -18.292 1.00 0.00 C ATOM 1391 C GLU A 83 15.844 -13.323 -17.269 1.00 0.00 C ATOM 1392 O GLU A 83 14.634 -13.255 -17.475 1.00 0.00 O ATOM 1393 CB GLU A 83 16.988 -15.462 -17.960 1.00 0.00 C ATOM 1394 CG GLU A 83 16.714 -15.738 -16.480 1.00 0.00 C ATOM 1395 CD GLU A 83 15.210 -15.788 -16.201 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.496 -16.373 -17.043 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.810 -15.239 -15.152 1.00 0.00 O ATOM 0 H GLU A 83 18.691 -13.499 -17.609 1.00 0.00 H new ATOM 0 HA GLU A 83 16.296 -13.931 -19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.332 -16.077 -18.576 1.00 0.00 H new ATOM 0 HB3 GLU A 83 18.012 -15.746 -18.203 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.173 -16.684 -16.192 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.175 -14.961 -15.870 1.00 0.00 H new ATOM 1404 N ILE A 84 16.449 -12.852 -16.188 1.00 0.00 N ATOM 1405 CA ILE A 84 15.693 -12.199 -15.133 1.00 0.00 C ATOM 1406 C ILE A 84 14.852 -11.072 -15.736 1.00 0.00 C ATOM 1407 O ILE A 84 13.647 -10.998 -15.501 1.00 0.00 O ATOM 1408 CB ILE A 84 16.627 -11.737 -14.012 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.381 -12.921 -13.404 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.861 -10.940 -12.954 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.571 -13.568 -12.279 1.00 0.00 C ATOM 0 H ILE A 84 17.453 -12.910 -16.020 1.00 0.00 H new ATOM 0 HA ILE A 84 15.000 -12.902 -14.670 1.00 0.00 H new ATOM 0 HB ILE A 84 17.372 -11.068 -14.442 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.590 -13.660 -14.178 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.343 -12.584 -13.017 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.548 -10.624 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.409 -10.062 -13.416 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.080 -11.566 -12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.130 -14.407 -11.864 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.385 -12.833 -11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.620 -13.926 -12.674 1.00 0.00 H new ATOM 1423 N ALA A 85 15.521 -10.223 -16.502 1.00 0.00 N ATOM 1424 CA ALA A 85 14.850 -9.103 -17.141 1.00 0.00 C ATOM 1425 C ALA A 85 13.795 -9.634 -18.114 1.00 0.00 C ATOM 1426 O ALA A 85 12.744 -9.020 -18.290 1.00 0.00 O ATOM 1427 CB ALA A 85 15.886 -8.215 -17.833 1.00 0.00 C ATOM 0 H ALA A 85 16.521 -10.288 -16.695 1.00 0.00 H new ATOM 0 HA ALA A 85 14.337 -8.490 -16.400 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.383 -7.375 -18.312 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.595 -7.840 -17.095 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.419 -8.796 -18.586 1.00 0.00 H new ATOM 1433 N LYS A 86 14.112 -10.769 -18.719 1.00 0.00 N ATOM 1434 CA LYS A 86 13.204 -11.390 -19.669 1.00 0.00 C ATOM 1435 C LYS A 86 11.893 -11.739 -18.962 1.00 0.00 C ATOM 1436 O LYS A 86 10.824 -11.685 -19.567 1.00 0.00 O ATOM 1437 CB LYS A 86 13.874 -12.586 -20.347 1.00 0.00 C ATOM 1438 CG LYS A 86 14.607 -12.156 -21.620 1.00 0.00 C ATOM 1439 CD LYS A 86 14.599 -13.276 -22.662 1.00 0.00 C ATOM 1440 CE LYS A 86 15.984 -13.909 -22.797 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.481 -13.780 -24.186 1.00 0.00 N ATOM 0 H LYS A 86 14.985 -11.275 -18.570 1.00 0.00 H new ATOM 0 HA LYS A 86 12.958 -10.694 -20.471 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.578 -13.052 -19.658 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.123 -13.337 -20.592 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.133 -11.266 -22.034 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.635 -11.886 -21.378 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.873 -14.038 -22.377 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.281 -12.878 -23.626 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.679 -13.427 -22.110 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.938 -14.962 -22.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.423 -14.215 -24.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.826 -14.261 -24.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.544 -12.773 -24.440 1.00 0.00 H new ATOM 1455 N LEU A 87 12.019 -12.088 -17.690 1.00 0.00 N ATOM 1456 CA LEU A 87 10.857 -12.445 -16.894 1.00 0.00 C ATOM 1457 C LEU A 87 10.163 -11.170 -16.411 1.00 0.00 C ATOM 1458 O LEU A 87 9.169 -11.235 -15.689 1.00 0.00 O ATOM 1459 CB LEU A 87 11.254 -13.395 -15.762 1.00 0.00 C ATOM 1460 CG LEU A 87 10.641 -14.796 -15.815 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.729 -15.870 -15.847 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.660 -15.008 -14.660 1.00 0.00 C ATOM 0 H LEU A 87 12.908 -12.131 -17.191 1.00 0.00 H new ATOM 0 HA LEU A 87 10.134 -12.992 -17.500 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.339 -13.495 -15.762 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.977 -12.934 -14.814 1.00 0.00 H new ATOM 0 HG LEU A 87 10.073 -14.886 -16.741 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.266 -16.856 -15.884 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.354 -15.729 -16.729 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.344 -15.792 -14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.238 -16.011 -14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.184 -14.891 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.858 -14.273 -14.724 1.00 0.00 H new ATOM 1474 N LEU A 88 10.713 -10.040 -16.830 1.00 0.00 N ATOM 1475 CA LEU A 88 10.160 -8.752 -16.449 1.00 0.00 C ATOM 1476 C LEU A 88 9.553 -8.078 -17.682 1.00 0.00 C ATOM 1477 O LEU A 88 9.888 -8.428 -18.813 1.00 0.00 O ATOM 1478 CB LEU A 88 11.217 -7.902 -15.742 1.00 0.00 C ATOM 1479 CG LEU A 88 11.521 -8.280 -14.291 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.971 -7.952 -13.931 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.528 -7.619 -13.332 1.00 0.00 C ATOM 0 H LEU A 88 11.536 -9.990 -17.430 1.00 0.00 H new ATOM 0 HA LEU A 88 9.354 -8.882 -15.726 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.143 -7.960 -16.314 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.893 -6.862 -15.765 1.00 0.00 H new ATOM 0 HG LEU A 88 11.400 -9.358 -14.187 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.160 -8.231 -12.894 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.643 -8.508 -14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.144 -6.883 -14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.767 -7.904 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.593 -6.535 -13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.517 -7.946 -13.573 1.00 0.00 H new ATOM 1493 N PRO A 89 8.648 -7.099 -17.415 1.00 0.00 N ATOM 1494 CA PRO A 89 7.992 -6.373 -18.489 1.00 0.00 C ATOM 1495 C PRO A 89 8.945 -5.364 -19.132 1.00 0.00 C ATOM 1496 O PRO A 89 8.614 -4.750 -20.145 1.00 0.00 O ATOM 1497 CB PRO A 89 6.783 -5.719 -17.840 1.00 0.00 C ATOM 1498 CG PRO A 89 7.061 -5.717 -16.346 1.00 0.00 C ATOM 1499 CD PRO A 89 8.227 -6.659 -16.088 1.00 0.00 C ATOM 0 HA PRO A 89 7.685 -7.022 -19.309 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.641 -4.704 -18.212 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.871 -6.272 -18.067 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.300 -4.710 -16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.179 -6.041 -15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.037 -6.152 -15.563 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.925 -7.503 -15.468 1.00 0.00 H new ATOM 1507 N GLY A 90 10.110 -5.224 -18.516 1.00 0.00 N ATOM 1508 CA GLY A 90 11.114 -4.300 -19.016 1.00 0.00 C ATOM 1509 C GLY A 90 12.523 -4.770 -18.648 1.00 0.00 C ATOM 1510 O GLY A 90 12.805 -5.967 -18.660 1.00 0.00 O ATOM 0 H GLY A 90 10.381 -5.735 -17.676 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.027 -4.214 -20.099 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.938 -3.307 -18.602 1.00 0.00 H new ATOM 1514 N ARG A 91 13.370 -3.803 -18.329 1.00 0.00 N ATOM 1515 CA ARG A 91 14.743 -4.102 -17.958 1.00 0.00 C ATOM 1516 C ARG A 91 15.425 -4.915 -19.060 1.00 0.00 C ATOM 1517 O ARG A 91 14.757 -5.469 -19.932 1.00 0.00 O ATOM 1518 CB ARG A 91 14.800 -4.886 -16.646 1.00 0.00 C ATOM 1519 CG ARG A 91 13.919 -4.235 -15.579 1.00 0.00 C ATOM 1520 CD ARG A 91 14.492 -2.884 -15.144 1.00 0.00 C ATOM 1521 NE ARG A 91 13.521 -2.178 -14.278 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.729 -0.963 -13.752 1.00 0.00 C ATOM 1523 NH1 ARG A 91 14.874 -0.313 -13.999 1.00 0.00 N ATOM 1524 NH2 ARG A 91 12.792 -0.399 -12.978 1.00 0.00 N ATOM 0 H ARG A 91 13.132 -2.811 -18.320 1.00 0.00 H new ATOM 0 HA ARG A 91 15.265 -3.154 -17.825 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.473 -5.912 -16.817 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.830 -4.935 -16.292 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.911 -4.098 -15.969 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.839 -4.895 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.429 -3.033 -14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.719 -2.277 -16.020 1.00 0.00 H new ATOM 0 HE ARG A 91 12.639 -2.645 -14.069 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.588 -0.743 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.032 0.612 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.921 -0.894 -12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.950 0.526 -12.578 1.00 0.00 H new ATOM 1538 N THR A 92 16.747 -4.961 -18.986 1.00 0.00 N ATOM 1539 CA THR A 92 17.527 -5.697 -19.966 1.00 0.00 C ATOM 1540 C THR A 92 18.380 -6.764 -19.277 1.00 0.00 C ATOM 1541 O THR A 92 18.177 -7.958 -19.489 1.00 0.00 O ATOM 1542 CB THR A 92 18.349 -4.687 -20.770 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.267 -4.152 -19.821 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.522 -3.478 -21.213 1.00 0.00 C ATOM 0 H THR A 92 17.298 -4.500 -18.262 1.00 0.00 H new ATOM 0 HA THR A 92 16.883 -6.239 -20.658 1.00 0.00 H new ATOM 0 HB THR A 92 18.770 -5.179 -21.647 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.841 -3.489 -20.259 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.153 -2.793 -21.779 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.696 -3.813 -21.840 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.127 -2.966 -20.335 1.00 0.00 H new ATOM 1552 N ASP A 93 19.317 -6.294 -18.467 1.00 0.00 N ATOM 1553 CA ASP A 93 20.202 -7.193 -17.745 1.00 0.00 C ATOM 1554 C ASP A 93 21.114 -6.376 -16.827 1.00 0.00 C ATOM 1555 O ASP A 93 21.282 -6.711 -15.656 1.00 0.00 O ATOM 1556 CB ASP A 93 21.088 -7.985 -18.709 1.00 0.00 C ATOM 1557 CG ASP A 93 21.694 -7.166 -19.851 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.911 -6.764 -20.738 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.926 -6.961 -19.810 1.00 0.00 O ATOM 0 H ASP A 93 19.483 -5.302 -18.294 1.00 0.00 H new ATOM 0 HA ASP A 93 19.585 -7.885 -17.171 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.898 -8.443 -18.141 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.499 -8.797 -19.137 1.00 0.00 H new ATOM 1564 N ASN A 94 21.678 -5.320 -17.394 1.00 0.00 N ATOM 1565 CA ASN A 94 22.569 -4.453 -16.642 1.00 0.00 C ATOM 1566 C ASN A 94 21.787 -3.787 -15.508 1.00 0.00 C ATOM 1567 O ASN A 94 22.378 -3.220 -14.591 1.00 0.00 O ATOM 1568 CB ASN A 94 23.144 -3.349 -17.531 1.00 0.00 C ATOM 1569 CG ASN A 94 24.659 -3.500 -17.682 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.396 -3.621 -16.718 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.080 -3.488 -18.944 1.00 0.00 N ATOM 0 H ASN A 94 21.535 -5.045 -18.366 1.00 0.00 H new ATOM 0 HA ASN A 94 23.384 -5.063 -16.253 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.672 -3.385 -18.513 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.913 -2.374 -17.102 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.074 -3.584 -19.151 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.409 -3.383 -19.705 1.00 0.00 H new ATOM 1578 N ALA A 95 20.469 -3.878 -15.607 1.00 0.00 N ATOM 1579 CA ALA A 95 19.600 -3.292 -14.601 1.00 0.00 C ATOM 1580 C ALA A 95 19.501 -4.239 -13.404 1.00 0.00 C ATOM 1581 O ALA A 95 19.939 -3.903 -12.305 1.00 0.00 O ATOM 1582 CB ALA A 95 18.233 -2.990 -15.220 1.00 0.00 C ATOM 0 H ALA A 95 19.982 -4.349 -16.369 1.00 0.00 H new ATOM 0 HA ALA A 95 20.011 -2.349 -14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.581 -2.550 -14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.355 -2.290 -16.047 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.789 -3.914 -15.589 1.00 0.00 H new ATOM 1588 N VAL A 96 18.923 -5.404 -13.658 1.00 0.00 N ATOM 1589 CA VAL A 96 18.761 -6.402 -12.614 1.00 0.00 C ATOM 1590 C VAL A 96 20.121 -6.691 -11.975 1.00 0.00 C ATOM 1591 O VAL A 96 20.291 -6.526 -10.768 1.00 0.00 O ATOM 1592 CB VAL A 96 18.092 -7.654 -13.186 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.978 -8.749 -12.124 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.722 -7.320 -13.780 1.00 0.00 C ATOM 0 H VAL A 96 18.561 -5.679 -14.571 1.00 0.00 H new ATOM 0 HA VAL A 96 18.105 -6.029 -11.828 1.00 0.00 H new ATOM 0 HB VAL A 96 18.722 -8.033 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.499 -9.627 -12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.973 -9.016 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.380 -8.385 -11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.268 -8.227 -14.180 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.080 -6.905 -13.003 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.841 -6.590 -14.581 1.00 0.00 H new ATOM 1604 N LYS A 97 21.055 -7.116 -12.814 1.00 0.00 N ATOM 1605 CA LYS A 97 22.395 -7.428 -12.346 1.00 0.00 C ATOM 1606 C LYS A 97 22.813 -6.404 -11.289 1.00 0.00 C ATOM 1607 O LYS A 97 23.063 -6.761 -10.138 1.00 0.00 O ATOM 1608 CB LYS A 97 23.365 -7.527 -13.525 1.00 0.00 C ATOM 1609 CG LYS A 97 24.771 -7.895 -13.048 1.00 0.00 C ATOM 1610 CD LYS A 97 25.691 -8.194 -14.234 1.00 0.00 C ATOM 1611 CE LYS A 97 26.100 -6.906 -14.949 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.567 -6.716 -14.878 1.00 0.00 N ATOM 0 H LYS A 97 20.910 -7.251 -13.815 1.00 0.00 H new ATOM 0 HA LYS A 97 22.413 -8.407 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 97 23.009 -8.277 -14.232 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.395 -6.576 -14.057 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.185 -7.077 -12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.721 -8.765 -12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.581 -8.719 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.183 -8.857 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.783 -6.945 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.595 -6.054 -14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.827 -5.837 -15.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.862 -6.657 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.044 -7.520 -15.333 1.00 0.00 H new ATOM 1626 N ASN A 98 22.876 -5.152 -11.717 1.00 0.00 N ATOM 1627 CA ASN A 98 23.260 -4.074 -10.821 1.00 0.00 C ATOM 1628 C ASN A 98 22.281 -4.019 -9.647 1.00 0.00 C ATOM 1629 O ASN A 98 22.691 -4.073 -8.489 1.00 0.00 O ATOM 1630 CB ASN A 98 23.217 -2.722 -11.537 1.00 0.00 C ATOM 1631 CG ASN A 98 24.190 -1.731 -10.895 1.00 0.00 C ATOM 1632 OD1 ASN A 98 25.254 -1.455 -11.643 1.00 0.00 O flip ATOM 1633 ND2 ASN A 98 23.987 -1.248 -9.793 1.00 0.00 N flip ATOM 0 H ASN A 98 22.668 -4.860 -12.672 1.00 0.00 H new ATOM 0 HA ASN A 98 24.276 -4.267 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.469 -2.855 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.205 -2.319 -11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 98 23.149 -1.503 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.656 -0.589 -9.394 1.00 0.00 H new ATOM 1640 N HIS A 99 21.005 -3.912 -9.987 1.00 0.00 N ATOM 1641 CA HIS A 99 19.963 -3.848 -8.976 1.00 0.00 C ATOM 1642 C HIS A 99 20.231 -4.900 -7.897 1.00 0.00 C ATOM 1643 O HIS A 99 19.840 -4.726 -6.744 1.00 0.00 O ATOM 1644 CB HIS A 99 18.579 -3.990 -9.611 1.00 0.00 C ATOM 1645 CG HIS A 99 17.447 -4.043 -8.613 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.407 -3.246 -7.482 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.316 -4.805 -8.588 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.297 -3.525 -6.814 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.623 -4.491 -7.500 1.00 0.00 N ATOM 0 H HIS A 99 20.669 -3.868 -10.949 1.00 0.00 H new ATOM 0 HA HIS A 99 19.978 -2.870 -8.494 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.414 -3.152 -10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.559 -4.897 -10.215 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.032 -5.539 -9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.982 -3.067 -5.888 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.733 -4.905 -7.223 1.00 0.00 H new ATOM 1657 N TRP A 100 20.896 -5.969 -8.310 1.00 0.00 N ATOM 1658 CA TRP A 100 21.221 -7.049 -7.394 1.00 0.00 C ATOM 1659 C TRP A 100 22.136 -6.486 -6.305 1.00 0.00 C ATOM 1660 O TRP A 100 21.743 -6.398 -5.143 1.00 0.00 O ATOM 1661 CB TRP A 100 21.838 -8.234 -8.140 1.00 0.00 C ATOM 1662 CG TRP A 100 21.679 -9.574 -7.419 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.634 -10.460 -7.104 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.448 -10.148 -6.932 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.110 -11.558 -6.453 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.738 -11.362 -6.346 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.131 -9.656 -6.987 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.766 -12.187 -5.768 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.171 -10.493 -6.405 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.447 -11.718 -5.811 1.00 0.00 C ATOM 0 H TRP A 100 21.219 -6.110 -9.267 1.00 0.00 H new ATOM 0 HA TRP A 100 20.319 -7.440 -6.923 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.380 -8.307 -9.126 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.899 -8.040 -8.295 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.682 -10.331 -7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.633 -12.365 -6.113 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.881 -8.709 -7.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.019 -13.133 -5.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.143 -10.163 -6.419 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.648 -12.306 -5.384 1.00 0.00 H new ATOM 1681 N ASN A 101 23.339 -6.118 -6.719 1.00 0.00 N ATOM 1682 CA ASN A 101 24.313 -5.565 -5.793 1.00 0.00 C ATOM 1683 C ASN A 101 23.884 -4.153 -5.391 1.00 0.00 C ATOM 1684 O ASN A 101 24.538 -3.513 -4.569 1.00 0.00 O ATOM 1685 CB ASN A 101 25.697 -5.473 -6.440 1.00 0.00 C ATOM 1686 CG ASN A 101 26.295 -6.864 -6.658 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.663 -7.563 -5.728 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.371 -7.226 -7.936 1.00 0.00 N ATOM 0 H ASN A 101 23.662 -6.192 -7.684 1.00 0.00 H new ATOM 0 HA ASN A 101 24.364 -6.222 -4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.622 -4.952 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.360 -4.884 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.755 -8.137 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.045 -6.592 -8.666 1.00 0.00 H new ATOM 1695 N SER A 102 22.788 -3.709 -5.988 1.00 0.00 N ATOM 1696 CA SER A 102 22.264 -2.385 -5.702 1.00 0.00 C ATOM 1697 C SER A 102 21.618 -2.366 -4.316 1.00 0.00 C ATOM 1698 O SER A 102 22.228 -1.912 -3.349 1.00 0.00 O ATOM 1699 CB SER A 102 21.252 -1.951 -6.765 1.00 0.00 C ATOM 1700 OG SER A 102 21.838 -1.879 -8.062 1.00 0.00 O ATOM 0 H SER A 102 22.248 -4.243 -6.669 1.00 0.00 H new ATOM 0 HA SER A 102 23.094 -1.678 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.420 -2.655 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.841 -0.977 -6.498 1.00 0.00 H new ATOM 0 HG SER A 102 22.573 -2.524 -8.125 1.00 0.00 H new ATOM 1706 N THR A 103 20.391 -2.864 -4.263 1.00 0.00 N ATOM 1707 CA THR A 103 19.656 -2.911 -3.010 1.00 0.00 C ATOM 1708 C THR A 103 19.383 -4.361 -2.605 1.00 0.00 C ATOM 1709 O THR A 103 19.032 -4.633 -1.458 1.00 0.00 O ATOM 1710 CB THR A 103 18.383 -2.078 -3.178 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.776 -0.763 -2.793 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.299 -2.454 -2.167 1.00 0.00 C ATOM 0 H THR A 103 19.888 -3.238 -5.067 1.00 0.00 H new ATOM 0 HA THR A 103 20.238 -2.483 -2.194 1.00 0.00 H new ATOM 0 HB THR A 103 17.996 -2.207 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.011 -0.156 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.418 -1.833 -2.330 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.032 -3.503 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.673 -2.294 -1.156 1.00 0.00 H new ATOM 1720 N ILE A 104 19.556 -5.253 -3.569 1.00 0.00 N ATOM 1721 CA ILE A 104 19.334 -6.669 -3.326 1.00 0.00 C ATOM 1722 C ILE A 104 20.632 -7.306 -2.827 1.00 0.00 C ATOM 1723 O ILE A 104 20.901 -8.474 -3.106 1.00 0.00 O ATOM 1724 CB ILE A 104 18.758 -7.342 -4.574 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.684 -6.466 -5.223 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.237 -8.743 -4.250 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.330 -6.978 -6.621 1.00 0.00 C ATOM 0 H ILE A 104 19.847 -5.023 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 104 18.589 -6.810 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 104 19.561 -7.458 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.791 -6.457 -4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.039 -5.437 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.833 -9.199 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.054 -9.356 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.452 -8.674 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.565 -6.338 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.220 -6.963 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.953 -7.998 -6.550 1.00 0.00 H new ATOM 1739 N LYS A 105 21.401 -6.512 -2.097 1.00 0.00 N ATOM 1740 CA LYS A 105 22.664 -6.985 -1.556 1.00 0.00 C ATOM 1741 C LYS A 105 22.998 -6.196 -0.289 1.00 0.00 C ATOM 1742 O LYS A 105 23.476 -5.065 -0.365 1.00 0.00 O ATOM 1743 CB LYS A 105 23.759 -6.926 -2.623 1.00 0.00 C ATOM 1744 CG LYS A 105 23.628 -8.090 -3.608 1.00 0.00 C ATOM 1745 CD LYS A 105 23.587 -9.430 -2.871 1.00 0.00 C ATOM 1746 CE LYS A 105 24.517 -10.449 -3.533 1.00 0.00 C ATOM 1747 NZ LYS A 105 24.305 -11.795 -2.957 1.00 0.00 N ATOM 0 H LYS A 105 21.174 -5.544 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 105 22.587 -8.034 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.696 -5.980 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.739 -6.957 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.721 -7.969 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.467 -8.079 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.881 -9.286 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.567 -9.814 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.333 -10.474 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.555 -10.147 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.944 -12.474 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.503 -11.771 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.319 -12.088 -3.112 1.00 0.00 H new ATOM 1761 N ARG A 106 22.733 -6.824 0.848 1.00 0.00 N ATOM 1762 CA ARG A 106 23.000 -6.195 2.130 1.00 0.00 C ATOM 1763 C ARG A 106 24.460 -6.410 2.534 1.00 0.00 C ATOM 1764 O ARG A 106 25.251 -5.468 2.542 1.00 0.00 O ATOM 1765 CB ARG A 106 22.088 -6.761 3.221 1.00 0.00 C ATOM 1766 CG ARG A 106 20.743 -6.031 3.243 1.00 0.00 C ATOM 1767 CD ARG A 106 19.586 -7.006 3.015 1.00 0.00 C ATOM 1768 NE ARG A 106 19.659 -7.567 1.647 1.00 0.00 N ATOM 1769 CZ ARG A 106 18.676 -8.273 1.072 1.00 0.00 C ATOM 1770 NH1 ARG A 106 17.540 -8.509 1.742 1.00 0.00 N ATOM 1771 NH2 ARG A 106 18.830 -8.742 -0.174 1.00 0.00 N ATOM 0 H ARG A 106 22.336 -7.762 0.907 1.00 0.00 H new ATOM 0 HA ARG A 106 22.803 -5.128 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.926 -7.825 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.574 -6.666 4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.615 -5.526 4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.731 -5.260 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.627 -7.810 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 106 18.634 -6.494 3.157 1.00 0.00 H new ATOM 0 HE ARG A 106 20.510 -7.406 1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.423 -8.151 2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.792 -9.046 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.695 -8.561 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.082 -9.280 -0.613 1.00 0.00 H new ATOM 1785 N LYS A 107 24.773 -7.656 2.859 1.00 0.00 N ATOM 1786 CA LYS A 107 26.124 -8.007 3.262 1.00 0.00 C ATOM 1787 C LYS A 107 27.072 -7.819 2.076 1.00 0.00 C ATOM 1788 O LYS A 107 27.531 -8.793 1.483 1.00 0.00 O ATOM 1789 CB LYS A 107 26.157 -9.416 3.858 1.00 0.00 C ATOM 1790 CG LYS A 107 27.014 -9.457 5.124 1.00 0.00 C ATOM 1791 CD LYS A 107 28.105 -10.524 5.014 1.00 0.00 C ATOM 1792 CE LYS A 107 28.782 -10.757 6.366 1.00 0.00 C ATOM 1793 NZ LYS A 107 29.592 -11.996 6.334 1.00 0.00 N ATOM 0 H LYS A 107 24.114 -8.435 2.851 1.00 0.00 H new ATOM 0 HA LYS A 107 26.469 -7.342 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 107 25.143 -9.740 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.554 -10.116 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 107 27.470 -8.481 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 107 26.383 -9.665 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 107 27.671 -11.457 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.849 -10.215 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 107 29.417 -9.906 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 107 28.028 -10.829 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 30.044 -12.139 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 28.977 -12.807 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 30.324 -11.913 5.600 1.00 0.00 H new ATOM 1807 N VAL A 108 27.335 -6.558 1.764 1.00 0.00 N ATOM 1808 CA VAL A 108 28.220 -6.229 0.659 1.00 0.00 C ATOM 1809 C VAL A 108 29.611 -5.901 1.205 1.00 0.00 C ATOM 1810 O VAL A 108 30.619 -6.291 0.619 1.00 0.00 O ATOM 1811 CB VAL A 108 27.619 -5.093 -0.171 1.00 0.00 C ATOM 1812 CG1 VAL A 108 28.107 -5.156 -1.620 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.091 -5.114 -0.106 1.00 0.00 C ATOM 0 H VAL A 108 26.951 -5.752 2.257 1.00 0.00 H new ATOM 0 HA VAL A 108 28.328 -7.082 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 108 27.959 -4.150 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 108 27.665 -4.338 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 108 29.193 -5.068 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.811 -6.107 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 108 25.690 -4.296 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 108 25.723 -6.063 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 108 25.769 -4.998 0.929 1.00 0.00 H new ATOM 1823 N ASP A 109 29.620 -5.186 2.321 1.00 0.00 N ATOM 1824 CA ASP A 109 30.870 -4.801 2.952 1.00 0.00 C ATOM 1825 C ASP A 109 31.263 -5.859 3.985 1.00 0.00 C ATOM 1826 O ASP A 109 32.005 -5.571 4.923 1.00 0.00 O ATOM 1827 CB ASP A 109 30.731 -3.461 3.678 1.00 0.00 C ATOM 1828 CG ASP A 109 31.424 -2.280 2.996 1.00 0.00 C ATOM 1829 OD1 ASP A 109 32.006 -2.512 1.914 1.00 0.00 O ATOM 1830 OD2 ASP A 109 31.355 -1.172 3.571 1.00 0.00 O ATOM 0 H ASP A 109 28.781 -4.864 2.804 1.00 0.00 H new ATOM 0 HA ASP A 109 31.627 -4.713 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 109 29.671 -3.230 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 109 31.134 -3.567 4.685 1.00 0.00 H new ATOM 1835 N THR A 110 30.749 -7.062 3.777 1.00 0.00 N ATOM 1836 CA THR A 110 31.036 -8.165 4.678 1.00 0.00 C ATOM 1837 C THR A 110 30.588 -7.823 6.100 1.00 0.00 C ATOM 1838 O THR A 110 31.390 -7.373 6.916 1.00 0.00 O ATOM 1839 CB THR A 110 32.529 -8.485 4.572 1.00 0.00 C ATOM 1840 OG1 THR A 110 32.700 -8.900 3.219 1.00 0.00 O ATOM 1841 CG2 THR A 110 32.923 -9.716 5.391 1.00 0.00 C ATOM 0 H THR A 110 30.135 -7.297 2.997 1.00 0.00 H new ATOM 0 HA THR A 110 30.476 -9.058 4.401 1.00 0.00 H new ATOM 0 HB THR A 110 33.109 -7.625 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 110 33.641 -9.125 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 110 33.992 -9.899 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 110 32.690 -9.544 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 110 32.368 -10.583 5.034 1.00 0.00 H new TER 1849 THR A 110