USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-2.8!) USER MOD Single : A 9 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.056) USER MOD Single : A 11 THR OG1 : rot -23:sc= 0.601 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-3!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= -0.0448 (180deg=-0.314) USER MOD Single : A 24 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.8!) USER MOD Single : A 29 THR OG1 : rot 52:sc= 0.503 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 174:sc= -2.02 (180deg=-2.13) USER MOD Single : A 42 ASN : amide:sc= 0.0404 X(o=0.04,f=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.019 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -159:sc= 0 (180deg=-0.352) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 150:sc= -1.06 USER MOD Single : A 59 ASN : amide:sc= -0.857 K(o=-0.86,f=-0.21) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 66 HIS : no HE2:sc= 0.126 K(o=0.13,f=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 131:sc= -0.282 (180deg=-1.03) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot 180:sc= -0.96 USER MOD Single : B 102 SER OG : rot 162:sc= 1.06 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -18.722 -23.791 -7.865 1.00 0.00 N ATOM 51 CA LYS A 4 -17.950 -23.298 -8.997 1.00 0.00 C ATOM 52 C LYS A 4 -16.620 -24.025 -9.118 1.00 0.00 C ATOM 53 O LYS A 4 -16.132 -24.598 -8.145 1.00 0.00 O ATOM 54 CB LYS A 4 -17.650 -21.810 -8.818 1.00 0.00 C ATOM 55 CG LYS A 4 -18.829 -20.978 -8.323 1.00 0.00 C ATOM 56 CD LYS A 4 -18.371 -19.872 -7.382 1.00 0.00 C ATOM 57 CE LYS A 4 -18.679 -20.197 -5.929 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.096 -19.901 -5.580 1.00 0.00 N ATOM 0 HA LYS A 4 -18.545 -23.471 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.825 -21.702 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.311 -21.404 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.351 -20.541 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.542 -21.623 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.298 -19.717 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.860 -18.937 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.472 -21.251 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.018 -19.622 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.264 -20.137 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.288 -18.891 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.727 -20.469 -6.180 1.00 0.00 H new ATOM 72 N GLY A 5 -15.993 -23.930 -10.292 1.00 0.00 N ATOM 73 CA GLY A 5 -14.674 -24.512 -10.462 1.00 0.00 C ATOM 74 C GLY A 5 -13.692 -23.608 -9.755 1.00 0.00 C ATOM 75 O GLY A 5 -12.837 -22.972 -10.370 1.00 0.00 O ATOM 0 H GLY A 5 -16.372 -23.466 -11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.641 -25.518 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.425 -24.598 -11.520 1.00 0.00 H new ATOM 79 N TRP A 6 -13.912 -23.493 -8.455 1.00 0.00 N ATOM 80 CA TRP A 6 -13.165 -22.601 -7.591 1.00 0.00 C ATOM 81 C TRP A 6 -11.824 -23.146 -7.135 1.00 0.00 C ATOM 82 O TRP A 6 -10.773 -22.577 -7.424 1.00 0.00 O ATOM 83 CB TRP A 6 -14.028 -22.359 -6.359 1.00 0.00 C ATOM 84 CG TRP A 6 -14.255 -20.930 -6.064 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.450 -20.294 -5.972 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.251 -19.961 -5.824 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.247 -18.971 -5.670 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.896 -18.744 -5.578 1.00 0.00 C ATOM 89 CE3 TRP A 6 -11.864 -20.014 -5.793 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.193 -17.581 -5.300 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.160 -18.868 -5.521 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.823 -17.659 -5.274 1.00 0.00 C ATOM 0 H TRP A 6 -14.629 -24.028 -7.964 1.00 0.00 H new ATOM 0 HA TRP A 6 -12.945 -21.697 -8.159 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -14.991 -22.849 -6.499 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -13.554 -22.828 -5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.414 -20.759 -6.115 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.978 -18.272 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.347 -20.943 -5.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.705 -16.649 -5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.081 -18.899 -5.497 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.246 -16.772 -5.059 1.00 0.00 H new ATOM 103 N HIS A 7 -11.882 -24.220 -6.379 1.00 0.00 N ATOM 104 CA HIS A 7 -10.680 -24.826 -5.817 1.00 0.00 C ATOM 105 C HIS A 7 -9.872 -25.590 -6.858 1.00 0.00 C ATOM 106 O HIS A 7 -8.726 -25.966 -6.612 1.00 0.00 O ATOM 107 CB HIS A 7 -11.065 -25.774 -4.690 1.00 0.00 C ATOM 108 CG HIS A 7 -9.991 -25.965 -3.665 1.00 0.00 C ATOM 109 ND1 HIS A 7 -9.405 -27.185 -3.407 1.00 0.00 N ATOM 110 CD2 HIS A 7 -9.398 -25.080 -2.828 1.00 0.00 C ATOM 111 CE1 HIS A 7 -8.499 -27.045 -2.456 1.00 0.00 C ATOM 112 NE2 HIS A 7 -8.475 -25.778 -2.088 1.00 0.00 N ATOM 0 H HIS A 7 -12.749 -24.698 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.055 -24.016 -5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.960 -25.393 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.324 -26.743 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.611 -24.024 -2.756 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.883 -27.833 -2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.869 -25.381 -1.370 1.00 0.00 H new ATOM 121 N GLU A 8 -10.479 -25.840 -8.007 1.00 0.00 N ATOM 122 CA GLU A 8 -9.823 -26.588 -9.077 1.00 0.00 C ATOM 123 C GLU A 8 -8.386 -26.124 -9.305 1.00 0.00 C ATOM 124 O GLU A 8 -7.459 -26.936 -9.304 1.00 0.00 O ATOM 125 CB GLU A 8 -10.607 -26.451 -10.382 1.00 0.00 C ATOM 126 CG GLU A 8 -11.096 -25.039 -10.661 1.00 0.00 C ATOM 127 CD GLU A 8 -10.291 -24.345 -11.743 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.728 -25.049 -12.608 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.224 -23.098 -11.726 1.00 0.00 O ATOM 0 H GLU A 8 -11.428 -25.537 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.799 -27.632 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.976 -26.777 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.465 -27.123 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.144 -25.074 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.045 -24.453 -9.743 1.00 0.00 H new ATOM 136 N HIS A 9 -8.199 -24.826 -9.512 1.00 0.00 N ATOM 137 CA HIS A 9 -6.861 -24.288 -9.753 1.00 0.00 C ATOM 138 C HIS A 9 -6.455 -23.245 -8.716 1.00 0.00 C ATOM 139 O HIS A 9 -5.561 -22.436 -8.961 1.00 0.00 O ATOM 140 CB HIS A 9 -6.773 -23.690 -11.158 1.00 0.00 C ATOM 141 CG HIS A 9 -6.359 -24.678 -12.203 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.262 -24.362 -13.542 1.00 0.00 N ATOM 143 CD2 HIS A 9 -6.015 -25.984 -12.101 1.00 0.00 C ATOM 144 CE1 HIS A 9 -5.877 -25.430 -14.219 1.00 0.00 C ATOM 145 NE2 HIS A 9 -5.720 -26.427 -13.367 1.00 0.00 N ATOM 0 H HIS A 9 -8.946 -24.131 -9.518 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.164 -25.121 -9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.743 -23.273 -11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.062 -22.864 -11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.979 -26.568 -11.193 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.718 -25.479 -15.286 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.427 -27.373 -13.610 1.00 0.00 H new ATOM 154 N VAL A 10 -7.084 -23.285 -7.550 1.00 0.00 N ATOM 155 CA VAL A 10 -6.745 -22.356 -6.479 1.00 0.00 C ATOM 156 C VAL A 10 -5.990 -23.098 -5.388 1.00 0.00 C ATOM 157 O VAL A 10 -4.889 -22.708 -5.003 1.00 0.00 O ATOM 158 CB VAL A 10 -7.992 -21.668 -5.884 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.611 -20.777 -4.713 1.00 0.00 C ATOM 160 CG2 VAL A 10 -8.700 -20.865 -6.962 1.00 0.00 C ATOM 0 H VAL A 10 -7.827 -23.945 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.118 -21.572 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.671 -22.435 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.506 -20.303 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.138 -21.379 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.915 -20.009 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.579 -20.381 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.023 -20.106 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.006 -21.530 -7.769 1.00 0.00 H new ATOM 170 N THR A 11 -6.581 -24.190 -4.919 1.00 0.00 N ATOM 171 CA THR A 11 -5.959 -25.020 -3.896 1.00 0.00 C ATOM 172 C THR A 11 -5.555 -24.196 -2.674 1.00 0.00 C ATOM 173 O THR A 11 -5.603 -22.966 -2.694 1.00 0.00 O ATOM 174 CB THR A 11 -4.736 -25.733 -4.483 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.601 -24.887 -4.455 1.00 0.00 O ATOM 176 CG2 THR A 11 -4.934 -26.189 -5.920 1.00 0.00 C ATOM 0 H THR A 11 -7.493 -24.522 -5.232 1.00 0.00 H new ATOM 0 HA THR A 11 -6.689 -25.760 -3.568 1.00 0.00 H new ATOM 0 HB THR A 11 -4.590 -26.613 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.891 -23.951 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.030 -26.686 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.772 -26.884 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.142 -25.325 -6.551 1.00 0.00 H new ATOM 184 N GLN A 12 -5.161 -24.886 -1.609 1.00 0.00 N ATOM 185 CA GLN A 12 -4.751 -24.222 -0.376 1.00 0.00 C ATOM 186 C GLN A 12 -3.368 -23.594 -0.520 1.00 0.00 C ATOM 187 O GLN A 12 -3.154 -22.445 -0.132 1.00 0.00 O ATOM 188 CB GLN A 12 -4.751 -25.219 0.786 1.00 0.00 C ATOM 189 CG GLN A 12 -3.744 -26.345 0.621 1.00 0.00 C ATOM 190 CD GLN A 12 -3.978 -27.483 1.594 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.141 -27.267 2.795 1.00 0.00 O ATOM 192 NE2 GLN A 12 -3.996 -28.707 1.078 1.00 0.00 N ATOM 0 H GLN A 12 -5.117 -25.904 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.467 -23.427 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.538 -24.685 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.749 -25.647 0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.796 -26.727 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.738 -25.951 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.856 -28.840 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.149 -29.513 1.683 1.00 0.00 H new ATOM 201 N ASP A 13 -2.431 -24.357 -1.072 1.00 0.00 N ATOM 202 CA ASP A 13 -1.064 -23.879 -1.260 1.00 0.00 C ATOM 203 C ASP A 13 -1.033 -22.589 -2.074 1.00 0.00 C ATOM 204 O ASP A 13 -0.490 -21.578 -1.629 1.00 0.00 O ATOM 205 CB ASP A 13 -0.220 -24.951 -1.953 1.00 0.00 C ATOM 206 CG ASP A 13 0.389 -25.932 -0.969 1.00 0.00 C ATOM 207 OD1 ASP A 13 -0.218 -26.155 0.099 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.471 -26.478 -1.269 1.00 0.00 O ATOM 0 H ASP A 13 -2.592 -25.310 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.646 -23.670 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.841 -25.494 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.575 -24.471 -2.523 1.00 0.00 H new ATOM 213 N LEU A 14 -1.612 -22.630 -3.270 1.00 0.00 N ATOM 214 CA LEU A 14 -1.644 -21.460 -4.142 1.00 0.00 C ATOM 215 C LEU A 14 -2.329 -20.283 -3.453 1.00 0.00 C ATOM 216 O LEU A 14 -2.003 -19.125 -3.711 1.00 0.00 O ATOM 217 CB LEU A 14 -2.361 -21.794 -5.453 1.00 0.00 C ATOM 218 CG LEU A 14 -1.563 -21.489 -6.722 1.00 0.00 C ATOM 219 CD1 LEU A 14 -0.714 -22.686 -7.120 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.498 -21.096 -7.857 1.00 0.00 C ATOM 0 H LEU A 14 -2.064 -23.458 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.616 -21.174 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.618 -22.853 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.298 -21.239 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.898 -20.650 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.154 -22.450 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.019 -22.923 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.360 -23.544 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.914 -20.882 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.188 -21.915 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.063 -20.208 -7.572 1.00 0.00 H new ATOM 232 N ARG A 15 -3.279 -20.590 -2.574 1.00 0.00 N ATOM 233 CA ARG A 15 -4.007 -19.557 -1.847 1.00 0.00 C ATOM 234 C ARG A 15 -3.072 -18.783 -0.924 1.00 0.00 C ATOM 235 O ARG A 15 -3.108 -17.553 -0.876 1.00 0.00 O ATOM 236 CB ARG A 15 -5.144 -20.181 -1.036 1.00 0.00 C ATOM 237 CG ARG A 15 -6.275 -19.213 -0.730 1.00 0.00 C ATOM 238 CD ARG A 15 -7.511 -19.941 -0.227 1.00 0.00 C ATOM 239 NE ARG A 15 -8.602 -19.021 0.083 1.00 0.00 N ATOM 240 CZ ARG A 15 -8.648 -18.268 1.179 1.00 0.00 C ATOM 241 NH1 ARG A 15 -7.668 -18.323 2.073 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.677 -17.457 1.383 1.00 0.00 N ATOM 0 H ARG A 15 -3.562 -21.544 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.428 -18.862 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.545 -21.034 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.742 -20.565 -0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.946 -18.492 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.525 -18.648 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.843 -20.655 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.256 -20.514 0.665 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.374 -18.952 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.874 -18.945 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.709 -17.743 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.433 -17.411 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.713 -16.880 2.223 1.00 0.00 H new ATOM 256 N SER A 16 -2.236 -19.512 -0.193 1.00 0.00 N ATOM 257 CA SER A 16 -1.289 -18.896 0.730 1.00 0.00 C ATOM 258 C SER A 16 -0.329 -17.969 -0.011 1.00 0.00 C ATOM 259 O SER A 16 0.138 -16.974 0.542 1.00 0.00 O ATOM 260 CB SER A 16 -0.501 -19.974 1.478 1.00 0.00 C ATOM 261 OG SER A 16 -1.089 -20.254 2.738 1.00 0.00 O ATOM 0 H SER A 16 -2.195 -20.531 -0.222 1.00 0.00 H new ATOM 0 HA SER A 16 -1.854 -18.303 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.466 -20.884 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.528 -19.645 1.619 1.00 0.00 H new ATOM 0 HG SER A 16 -0.568 -20.947 3.195 1.00 0.00 H new ATOM 267 N HIS A 17 -0.038 -18.306 -1.264 1.00 0.00 N ATOM 268 CA HIS A 17 0.866 -17.504 -2.079 1.00 0.00 C ATOM 269 C HIS A 17 0.219 -16.180 -2.472 1.00 0.00 C ATOM 270 O HIS A 17 0.902 -15.168 -2.634 1.00 0.00 O ATOM 271 CB HIS A 17 1.275 -18.276 -3.334 1.00 0.00 C ATOM 272 CG HIS A 17 2.342 -17.596 -4.134 1.00 0.00 C ATOM 273 ND1 HIS A 17 2.937 -16.414 -3.745 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.921 -17.936 -5.309 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.834 -16.057 -4.646 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.845 -16.964 -5.605 1.00 0.00 N ATOM 0 H HIS A 17 -0.415 -19.128 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 17 1.755 -17.290 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.626 -19.266 -3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.397 -18.421 -3.964 1.00 0.00 H new ATOM 0 HD1 HIS A 17 2.718 -15.896 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.698 -18.810 -5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.453 -15.173 -4.605 1.00 0.00 H new ATOM 285 N LEU A 18 -1.101 -16.193 -2.623 1.00 0.00 N ATOM 286 CA LEU A 18 -1.839 -14.992 -2.998 1.00 0.00 C ATOM 287 C LEU A 18 -2.049 -14.082 -1.791 1.00 0.00 C ATOM 288 O LEU A 18 -2.098 -12.859 -1.925 1.00 0.00 O ATOM 289 CB LEU A 18 -3.189 -15.369 -3.613 1.00 0.00 C ATOM 290 CG LEU A 18 -3.211 -15.416 -5.142 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.611 -15.736 -5.645 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.722 -14.097 -5.721 1.00 0.00 C ATOM 0 H LEU A 18 -1.682 -17.021 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.251 -14.450 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.486 -16.345 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.938 -14.653 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.539 -16.207 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.608 -15.765 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.925 -16.705 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.305 -14.967 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.744 -14.147 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.370 -13.288 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.702 -13.909 -5.387 1.00 0.00 H new ATOM 304 N VAL A 19 -2.170 -14.686 -0.613 1.00 0.00 N ATOM 305 CA VAL A 19 -2.373 -13.927 0.616 1.00 0.00 C ATOM 306 C VAL A 19 -1.226 -12.948 0.851 1.00 0.00 C ATOM 307 O VAL A 19 -1.416 -11.884 1.439 1.00 0.00 O ATOM 308 CB VAL A 19 -2.502 -14.859 1.837 1.00 0.00 C ATOM 309 CG1 VAL A 19 -2.797 -14.058 3.097 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.581 -15.903 1.597 1.00 0.00 C ATOM 0 H VAL A 19 -2.131 -15.697 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.302 -13.370 0.497 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.552 -15.374 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.884 -14.735 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.986 -13.352 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.732 -13.512 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.659 -16.553 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.536 -15.406 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.322 -16.499 0.722 1.00 0.00 H new ATOM 320 N HIS A 20 -0.037 -13.315 0.384 1.00 0.00 N ATOM 321 CA HIS A 20 1.140 -12.467 0.540 1.00 0.00 C ATOM 322 C HIS A 20 1.071 -11.264 -0.395 1.00 0.00 C ATOM 323 O HIS A 20 1.610 -10.199 -0.092 1.00 0.00 O ATOM 324 CB HIS A 20 2.412 -13.269 0.263 1.00 0.00 C ATOM 325 CG HIS A 20 2.980 -13.931 1.481 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.379 -15.006 2.103 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.100 -13.666 2.194 1.00 0.00 C ATOM 328 CE1 HIS A 20 3.105 -15.372 3.144 1.00 0.00 C ATOM 329 NE2 HIS A 20 4.155 -14.575 3.221 1.00 0.00 N ATOM 0 H HIS A 20 0.137 -14.193 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 20 1.163 -12.105 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.196 -14.030 -0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.164 -12.606 -0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.817 -12.884 1.992 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.878 -16.185 3.818 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.888 -14.626 3.929 1.00 0.00 H new ATOM 338 N LYS A 21 0.402 -11.439 -1.531 1.00 0.00 N ATOM 339 CA LYS A 21 0.261 -10.367 -2.510 1.00 0.00 C ATOM 340 C LYS A 21 -0.419 -9.151 -1.888 1.00 0.00 C ATOM 341 O LYS A 21 -0.002 -8.014 -2.109 1.00 0.00 O ATOM 342 CB LYS A 21 -0.541 -10.853 -3.718 1.00 0.00 C ATOM 343 CG LYS A 21 0.170 -11.924 -4.529 1.00 0.00 C ATOM 344 CD LYS A 21 0.872 -11.331 -5.740 1.00 0.00 C ATOM 345 CE LYS A 21 2.039 -10.447 -5.330 1.00 0.00 C ATOM 346 NZ LYS A 21 1.656 -9.009 -5.283 1.00 0.00 N ATOM 0 H LYS A 21 -0.051 -12.314 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 21 1.258 -10.075 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.498 -11.245 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.758 -10.003 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.898 -12.435 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.551 -12.673 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.231 -12.134 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.161 -10.748 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.404 -10.758 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.861 -10.581 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.244 -8.471 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.654 -8.908 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.801 -8.642 -4.321 1.00 0.00 H new ATOM 360 N LEU A 22 -1.466 -9.400 -1.109 1.00 0.00 N ATOM 361 CA LEU A 22 -2.202 -8.326 -0.453 1.00 0.00 C ATOM 362 C LEU A 22 -1.303 -7.570 0.520 1.00 0.00 C ATOM 363 O LEU A 22 -1.467 -6.367 0.728 1.00 0.00 O ATOM 364 CB LEU A 22 -3.416 -8.888 0.288 1.00 0.00 C ATOM 365 CG LEU A 22 -4.268 -9.871 -0.518 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.496 -10.288 0.277 1.00 0.00 C ATOM 367 CD2 LEU A 22 -4.677 -9.256 -1.848 1.00 0.00 C ATOM 0 H LEU A 22 -1.824 -10.336 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.545 -7.632 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.071 -9.387 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.047 -8.057 0.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.670 -10.760 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.090 -10.987 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.183 -10.768 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.096 -9.408 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.282 -9.969 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.257 -8.351 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.785 -9.007 -2.423 1.00 0.00 H new ATOM 379 N VAL A 23 -0.349 -8.283 1.110 1.00 0.00 N ATOM 380 CA VAL A 23 0.580 -7.682 2.058 1.00 0.00 C ATOM 381 C VAL A 23 1.607 -6.810 1.341 1.00 0.00 C ATOM 382 O VAL A 23 2.115 -5.841 1.904 1.00 0.00 O ATOM 383 CB VAL A 23 1.317 -8.758 2.879 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.157 -8.117 3.974 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.325 -9.749 3.470 1.00 0.00 C ATOM 0 H VAL A 23 -0.200 -9.279 0.947 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.010 -7.062 2.733 1.00 0.00 H new ATOM 0 HB VAL A 23 1.987 -9.301 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.669 -8.894 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.894 -7.451 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.511 -7.546 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.862 -10.502 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.372 -9.222 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.228 -10.234 2.665 1.00 0.00 H new ATOM 395 N GLN A 24 1.906 -7.162 0.094 1.00 0.00 N ATOM 396 CA GLN A 24 2.871 -6.413 -0.702 1.00 0.00 C ATOM 397 C GLN A 24 2.288 -5.078 -1.155 1.00 0.00 C ATOM 398 O GLN A 24 3.019 -4.107 -1.356 1.00 0.00 O ATOM 399 CB GLN A 24 3.301 -7.234 -1.919 1.00 0.00 C ATOM 400 CG GLN A 24 4.333 -6.536 -2.791 1.00 0.00 C ATOM 401 CD GLN A 24 5.747 -6.712 -2.275 1.00 0.00 C ATOM 402 OE1 GLN A 24 5.963 -7.288 -1.208 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.719 -6.212 -3.029 1.00 0.00 N ATOM 0 H GLN A 24 1.493 -7.962 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 24 3.742 -6.213 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.709 -8.186 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.422 -7.461 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.269 -6.927 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.099 -5.473 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.494 -5.742 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.691 -6.297 -2.731 1.00 0.00 H new ATOM 412 N ALA A 25 0.969 -5.034 -1.316 1.00 0.00 N ATOM 413 CA ALA A 25 0.292 -3.817 -1.747 1.00 0.00 C ATOM 414 C ALA A 25 0.552 -2.669 -0.778 1.00 0.00 C ATOM 415 O ALA A 25 1.198 -1.681 -1.127 1.00 0.00 O ATOM 416 CB ALA A 25 -1.202 -4.067 -1.884 1.00 0.00 C ATOM 0 H ALA A 25 0.348 -5.827 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 25 0.694 -3.532 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.696 -3.151 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.374 -4.851 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.608 -4.379 -0.922 1.00 0.00 H new ATOM 422 N ILE A 26 0.042 -2.805 0.442 1.00 0.00 N ATOM 423 CA ILE A 26 0.216 -1.778 1.463 1.00 0.00 C ATOM 424 C ILE A 26 1.691 -1.583 1.802 1.00 0.00 C ATOM 425 O ILE A 26 2.117 -0.480 2.145 1.00 0.00 O ATOM 426 CB ILE A 26 -0.554 -2.128 2.750 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.998 -2.516 2.419 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.523 -0.957 3.721 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.271 -3.999 2.556 1.00 0.00 C ATOM 0 H ILE A 26 -0.495 -3.616 0.748 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.184 -0.852 1.051 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.069 -2.981 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.673 -1.968 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.225 -2.206 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.071 -1.220 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.510 -0.725 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.986 -0.087 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.312 -4.202 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.621 -4.553 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.076 -4.312 3.582 1.00 0.00 H new ATOM 441 N PHE A 27 2.464 -2.659 1.707 1.00 0.00 N ATOM 442 CA PHE A 27 3.890 -2.603 2.005 1.00 0.00 C ATOM 443 C PHE A 27 4.692 -3.423 0.997 1.00 0.00 C ATOM 444 O PHE A 27 5.035 -4.576 1.254 1.00 0.00 O ATOM 445 CB PHE A 27 4.155 -3.114 3.423 1.00 0.00 C ATOM 446 CG PHE A 27 5.585 -2.962 3.863 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.318 -1.838 3.515 1.00 0.00 C ATOM 448 CD2 PHE A 27 6.194 -3.945 4.625 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.632 -1.697 3.919 1.00 0.00 C ATOM 450 CE2 PHE A 27 7.508 -3.811 5.033 1.00 0.00 C ATOM 451 CZ PHE A 27 8.228 -2.685 4.679 1.00 0.00 C ATOM 0 H PHE A 27 2.127 -3.580 1.426 1.00 0.00 H new ATOM 0 HA PHE A 27 4.210 -1.563 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.511 -2.577 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.877 -4.167 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.857 -1.063 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.636 -4.827 4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.192 -0.816 3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.971 -4.585 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.255 -2.578 4.996 1.00 0.00 H new ATOM 461 N PRO A 28 5.001 -2.833 -0.171 1.00 0.00 N ATOM 462 CA PRO A 28 5.765 -3.513 -1.224 1.00 0.00 C ATOM 463 C PRO A 28 7.138 -3.971 -0.742 1.00 0.00 C ATOM 464 O PRO A 28 7.425 -5.167 -0.702 1.00 0.00 O ATOM 465 CB PRO A 28 5.912 -2.446 -2.316 1.00 0.00 C ATOM 466 CG PRO A 28 4.822 -1.466 -2.048 1.00 0.00 C ATOM 467 CD PRO A 28 4.629 -1.462 -0.559 1.00 0.00 C ATOM 0 HA PRO A 28 5.263 -4.419 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.891 -1.969 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.814 -2.883 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.091 -0.474 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.904 -1.753 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.262 -0.720 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.599 -1.231 -0.286 1.00 0.00 H new ATOM 475 N THR A 29 7.984 -3.012 -0.381 1.00 0.00 N ATOM 476 CA THR A 29 9.329 -3.318 0.095 1.00 0.00 C ATOM 477 C THR A 29 9.281 -4.192 1.347 1.00 0.00 C ATOM 478 O THR A 29 8.425 -4.004 2.211 1.00 0.00 O ATOM 479 CB THR A 29 10.097 -2.029 0.388 1.00 0.00 C ATOM 480 OG1 THR A 29 9.337 -1.168 1.219 1.00 0.00 O ATOM 481 CG2 THR A 29 10.471 -1.258 -0.859 1.00 0.00 C ATOM 0 H THR A 29 7.763 -2.017 -0.409 1.00 0.00 H new ATOM 0 HA THR A 29 9.846 -3.869 -0.690 1.00 0.00 H new ATOM 0 HB THR A 29 11.013 -2.346 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.032 -1.661 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.014 -0.355 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.103 -1.879 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.567 -0.984 -1.403 1.00 0.00 H new ATOM 489 N PRO A 30 10.205 -5.162 1.462 1.00 0.00 N ATOM 490 CA PRO A 30 10.264 -6.064 2.614 1.00 0.00 C ATOM 491 C PRO A 30 10.891 -5.401 3.837 1.00 0.00 C ATOM 492 O PRO A 30 11.490 -4.331 3.737 1.00 0.00 O ATOM 493 CB PRO A 30 11.148 -7.204 2.114 1.00 0.00 C ATOM 494 CG PRO A 30 12.059 -6.562 1.125 1.00 0.00 C ATOM 495 CD PRO A 30 11.266 -5.458 0.477 1.00 0.00 C ATOM 0 HA PRO A 30 9.273 -6.381 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.707 -7.661 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.555 -7.994 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.949 -6.166 1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.399 -7.284 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.885 -4.583 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.848 -5.774 -0.479 1.00 0.00 H new ATOM 503 N ASP A 31 10.749 -6.046 4.991 1.00 0.00 N ATOM 504 CA ASP A 31 11.303 -5.519 6.234 1.00 0.00 C ATOM 505 C ASP A 31 11.047 -6.482 7.393 1.00 0.00 C ATOM 506 O ASP A 31 9.907 -6.654 7.823 1.00 0.00 O ATOM 507 CB ASP A 31 10.691 -4.153 6.549 1.00 0.00 C ATOM 508 CG ASP A 31 11.287 -3.525 7.794 1.00 0.00 C ATOM 509 OD1 ASP A 31 12.455 -3.832 8.112 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.586 -2.727 8.451 1.00 0.00 O ATOM 0 H ASP A 31 10.256 -6.933 5.091 1.00 0.00 H new ATOM 0 HA ASP A 31 12.380 -5.407 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.843 -3.486 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.614 -4.262 6.680 1.00 0.00 H new ATOM 515 N PRO A 32 12.106 -7.124 7.922 1.00 0.00 N ATOM 516 CA PRO A 32 11.977 -8.067 9.037 1.00 0.00 C ATOM 517 C PRO A 32 11.540 -7.379 10.326 1.00 0.00 C ATOM 518 O PRO A 32 10.918 -7.996 11.190 1.00 0.00 O ATOM 519 CB PRO A 32 13.387 -8.645 9.189 1.00 0.00 C ATOM 520 CG PRO A 32 14.287 -7.619 8.594 1.00 0.00 C ATOM 521 CD PRO A 32 13.506 -6.982 7.479 1.00 0.00 C ATOM 0 HA PRO A 32 11.216 -8.823 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.630 -8.824 10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.480 -9.600 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.580 -6.878 9.338 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.204 -8.074 8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.781 -5.936 7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.680 -7.485 6.528 1.00 0.00 H new ATOM 529 N ALA A 33 11.868 -6.097 10.446 1.00 0.00 N ATOM 530 CA ALA A 33 11.507 -5.323 11.627 1.00 0.00 C ATOM 531 C ALA A 33 10.052 -4.874 11.565 1.00 0.00 C ATOM 532 O ALA A 33 9.399 -4.701 12.595 1.00 0.00 O ATOM 533 CB ALA A 33 12.427 -4.121 11.771 1.00 0.00 C ATOM 0 H ALA A 33 12.383 -5.572 9.739 1.00 0.00 H new ATOM 0 HA ALA A 33 11.625 -5.963 12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.146 -3.552 12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.458 -4.462 11.870 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.338 -3.487 10.889 1.00 0.00 H new ATOM 539 N ALA A 34 9.547 -4.687 10.349 1.00 0.00 N ATOM 540 CA ALA A 34 8.167 -4.258 10.152 1.00 0.00 C ATOM 541 C ALA A 34 7.189 -5.250 10.774 1.00 0.00 C ATOM 542 O ALA A 34 6.102 -4.873 11.210 1.00 0.00 O ATOM 543 CB ALA A 34 7.876 -4.086 8.668 1.00 0.00 C ATOM 0 H ALA A 34 10.073 -4.826 9.486 1.00 0.00 H new ATOM 0 HA ALA A 34 8.035 -3.298 10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.843 -3.766 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.546 -3.334 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.031 -5.035 8.155 1.00 0.00 H new ATOM 549 N LEU A 35 7.584 -6.520 10.811 1.00 0.00 N ATOM 550 CA LEU A 35 6.741 -7.564 11.381 1.00 0.00 C ATOM 551 C LEU A 35 6.408 -7.257 12.837 1.00 0.00 C ATOM 552 O LEU A 35 5.320 -7.576 13.317 1.00 0.00 O ATOM 553 CB LEU A 35 7.436 -8.924 11.279 1.00 0.00 C ATOM 554 CG LEU A 35 8.110 -9.212 9.935 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.602 -10.649 9.884 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.150 -8.935 8.787 1.00 0.00 C ATOM 0 H LEU A 35 8.481 -6.849 10.454 1.00 0.00 H new ATOM 0 HA LEU A 35 5.811 -7.597 10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.187 -8.990 12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.701 -9.705 11.474 1.00 0.00 H new ATOM 0 HG LEU A 35 8.970 -8.550 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.078 -10.837 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.323 -10.815 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.758 -11.327 10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.646 -9.145 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.271 -9.572 8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.844 -7.889 8.813 1.00 0.00 H new ATOM 568 N LYS A 36 7.353 -6.634 13.534 1.00 0.00 N ATOM 569 CA LYS A 36 7.162 -6.280 14.935 1.00 0.00 C ATOM 570 C LYS A 36 6.428 -4.948 15.065 1.00 0.00 C ATOM 571 O LYS A 36 5.786 -4.678 16.080 1.00 0.00 O ATOM 572 CB LYS A 36 8.512 -6.203 15.652 1.00 0.00 C ATOM 573 CG LYS A 36 9.175 -7.557 15.845 1.00 0.00 C ATOM 574 CD LYS A 36 10.524 -7.423 16.533 1.00 0.00 C ATOM 575 CE LYS A 36 11.667 -7.468 15.532 1.00 0.00 C ATOM 576 NZ LYS A 36 12.149 -6.104 15.178 1.00 0.00 N ATOM 0 H LYS A 36 8.259 -6.364 13.151 1.00 0.00 H new ATOM 0 HA LYS A 36 6.554 -7.056 15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.181 -5.558 15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.371 -5.734 16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.525 -8.200 16.438 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.305 -8.041 14.877 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.560 -6.484 17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.644 -8.226 17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.491 -8.048 15.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.339 -7.983 14.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.928 -6.178 14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.370 -5.559 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.486 -5.622 16.035 1.00 0.00 H new ATOM 590 N ASP A 37 6.526 -4.117 14.030 1.00 0.00 N ATOM 591 CA ASP A 37 5.871 -2.814 14.030 1.00 0.00 C ATOM 592 C ASP A 37 4.361 -2.963 14.196 1.00 0.00 C ATOM 593 O ASP A 37 3.795 -4.015 13.900 1.00 0.00 O ATOM 594 CB ASP A 37 6.182 -2.063 12.736 1.00 0.00 C ATOM 595 CG ASP A 37 6.142 -0.558 12.916 1.00 0.00 C ATOM 596 OD1 ASP A 37 7.171 0.018 13.326 1.00 0.00 O ATOM 597 OD2 ASP A 37 5.082 0.044 12.646 1.00 0.00 O ATOM 0 H ASP A 37 7.053 -4.324 13.181 1.00 0.00 H new ATOM 0 HA ASP A 37 6.256 -2.242 14.874 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.168 -2.357 12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.464 -2.353 11.969 1.00 0.00 H new ATOM 602 N ARG A 38 3.717 -1.902 14.671 1.00 0.00 N ATOM 603 CA ARG A 38 2.274 -1.914 14.876 1.00 0.00 C ATOM 604 C ARG A 38 1.533 -1.850 13.545 1.00 0.00 C ATOM 605 O ARG A 38 0.440 -2.399 13.405 1.00 0.00 O ATOM 606 CB ARG A 38 1.855 -0.738 15.761 1.00 0.00 C ATOM 607 CG ARG A 38 2.357 -0.844 17.191 1.00 0.00 C ATOM 608 CD ARG A 38 1.800 -2.074 17.889 1.00 0.00 C ATOM 609 NE ARG A 38 2.633 -3.254 17.666 1.00 0.00 N ATOM 610 CZ ARG A 38 2.584 -4.349 18.422 1.00 0.00 C ATOM 611 NH1 ARG A 38 1.746 -4.419 19.449 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.377 -5.377 18.150 1.00 0.00 N ATOM 0 H ARG A 38 4.172 -1.024 14.921 1.00 0.00 H new ATOM 0 HA ARG A 38 2.011 -2.848 15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.228 0.187 15.322 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.767 -0.671 15.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.446 -0.886 17.193 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.071 0.050 17.745 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.724 -1.881 18.959 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.790 -2.270 17.528 1.00 0.00 H new ATOM 0 HE ARG A 38 3.290 -3.238 16.886 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.135 -3.631 19.663 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.713 -5.261 20.024 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.023 -5.328 17.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.340 -6.216 18.728 1.00 0.00 H new ATOM 626 N ARG A 39 2.134 -1.177 12.569 1.00 0.00 N ATOM 627 CA ARG A 39 1.532 -1.042 11.248 1.00 0.00 C ATOM 628 C ARG A 39 1.263 -2.410 10.629 1.00 0.00 C ATOM 629 O ARG A 39 0.152 -2.693 10.183 1.00 0.00 O ATOM 630 CB ARG A 39 2.442 -0.224 10.330 1.00 0.00 C ATOM 631 CG ARG A 39 1.720 0.383 9.139 1.00 0.00 C ATOM 632 CD ARG A 39 1.334 -0.679 8.120 1.00 0.00 C ATOM 633 NE ARG A 39 2.447 -1.577 7.816 1.00 0.00 N ATOM 634 CZ ARG A 39 3.420 -1.288 6.956 1.00 0.00 C ATOM 635 NH1 ARG A 39 3.422 -0.128 6.309 1.00 0.00 N ATOM 636 NH2 ARG A 39 4.393 -2.161 6.740 1.00 0.00 N ATOM 0 H ARG A 39 3.039 -0.716 12.669 1.00 0.00 H new ATOM 0 HA ARG A 39 0.581 -0.522 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.904 0.575 10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.248 -0.863 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.825 0.903 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.360 1.128 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.494 -1.259 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.997 -0.196 7.203 1.00 0.00 H new ATOM 0 HE ARG A 39 2.479 -2.479 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.675 0.547 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.171 0.088 5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.396 -3.054 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.139 -1.940 6.081 1.00 0.00 H new ATOM 650 N MET A 40 2.289 -3.254 10.604 1.00 0.00 N ATOM 651 CA MET A 40 2.165 -4.593 10.039 1.00 0.00 C ATOM 652 C MET A 40 1.069 -5.384 10.746 1.00 0.00 C ATOM 653 O MET A 40 0.425 -6.243 10.145 1.00 0.00 O ATOM 654 CB MET A 40 3.496 -5.339 10.141 1.00 0.00 C ATOM 655 CG MET A 40 3.591 -6.543 9.218 1.00 0.00 C ATOM 656 SD MET A 40 4.470 -6.177 7.687 1.00 0.00 S ATOM 657 CE MET A 40 3.461 -7.057 6.498 1.00 0.00 C ATOM 0 H MET A 40 3.216 -3.035 10.969 1.00 0.00 H new ATOM 0 HA MET A 40 1.894 -4.492 8.988 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.308 -4.650 9.910 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.641 -5.668 11.170 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.098 -7.356 9.738 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.587 -6.894 8.981 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.814 -6.840 5.490 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.531 -8.129 6.684 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.423 -6.739 6.595 1.00 0.00 H new ATOM 667 N GLU A 41 0.860 -5.087 12.025 1.00 0.00 N ATOM 668 CA GLU A 41 -0.162 -5.771 12.809 1.00 0.00 C ATOM 669 C GLU A 41 -1.532 -5.618 12.157 1.00 0.00 C ATOM 670 O GLU A 41 -2.330 -6.554 12.134 1.00 0.00 O ATOM 671 CB GLU A 41 -0.197 -5.217 14.235 1.00 0.00 C ATOM 672 CG GLU A 41 -1.034 -6.051 15.190 1.00 0.00 C ATOM 673 CD GLU A 41 -1.706 -5.213 16.261 1.00 0.00 C ATOM 674 OE1 GLU A 41 -0.984 -4.586 17.063 1.00 0.00 O ATOM 675 OE2 GLU A 41 -2.954 -5.184 16.296 1.00 0.00 O ATOM 0 H GLU A 41 1.384 -4.379 12.539 1.00 0.00 H new ATOM 0 HA GLU A 41 0.089 -6.831 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.822 -5.155 14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.591 -4.201 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.795 -6.590 14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.400 -6.800 15.664 1.00 0.00 H new ATOM 682 N ASN A 42 -1.795 -4.428 11.624 1.00 0.00 N ATOM 683 CA ASN A 42 -3.064 -4.148 10.966 1.00 0.00 C ATOM 684 C ASN A 42 -3.075 -4.704 9.545 1.00 0.00 C ATOM 685 O ASN A 42 -4.127 -5.058 9.015 1.00 0.00 O ATOM 686 CB ASN A 42 -3.327 -2.642 10.939 1.00 0.00 C ATOM 687 CG ASN A 42 -3.721 -2.099 12.299 1.00 0.00 C ATOM 688 OD1 ASN A 42 -4.900 -1.882 12.576 1.00 0.00 O ATOM 689 ND2 ASN A 42 -2.731 -1.876 13.156 1.00 0.00 N ATOM 0 H ASN A 42 -1.144 -3.643 11.636 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.855 -4.638 11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.432 -2.126 10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.119 -2.427 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.934 -1.510 14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.767 -2.070 12.884 1.00 0.00 H new ATOM 696 N LEU A 43 -1.895 -4.776 8.934 1.00 0.00 N ATOM 697 CA LEU A 43 -1.770 -5.288 7.573 1.00 0.00 C ATOM 698 C LEU A 43 -2.296 -6.718 7.478 1.00 0.00 C ATOM 699 O LEU A 43 -3.005 -7.067 6.534 1.00 0.00 O ATOM 700 CB LEU A 43 -0.309 -5.233 7.120 1.00 0.00 C ATOM 701 CG LEU A 43 -0.068 -4.490 5.804 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.282 -3.791 5.825 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.156 -5.451 4.628 1.00 0.00 C ATOM 0 H LEU A 43 -1.014 -4.487 9.359 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.370 -4.659 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.281 -4.756 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.063 -6.253 7.018 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.843 -3.732 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.436 -3.268 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.308 -3.074 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.072 -4.529 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.018 -4.907 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.598 -6.231 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.147 -5.905 4.602 1.00 0.00 H new ATOM 715 N VAL A 44 -1.944 -7.539 8.462 1.00 0.00 N ATOM 716 CA VAL A 44 -2.379 -8.930 8.488 1.00 0.00 C ATOM 717 C VAL A 44 -3.900 -9.027 8.548 1.00 0.00 C ATOM 718 O VAL A 44 -4.531 -9.605 7.664 1.00 0.00 O ATOM 719 CB VAL A 44 -1.782 -9.683 9.691 1.00 0.00 C ATOM 720 CG1 VAL A 44 -2.098 -11.168 9.605 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.280 -9.452 9.772 1.00 0.00 C ATOM 0 H VAL A 44 -1.359 -7.265 9.251 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.022 -9.391 7.567 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.236 -9.293 10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.667 -11.682 10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.179 -11.310 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.675 -11.578 8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.125 -9.991 10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.193 -9.812 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.081 -8.386 9.888 1.00 0.00 H new ATOM 731 N ALA A 45 -4.484 -8.456 9.597 1.00 0.00 N ATOM 732 CA ALA A 45 -5.931 -8.477 9.773 1.00 0.00 C ATOM 733 C ALA A 45 -6.638 -7.841 8.582 1.00 0.00 C ATOM 734 O ALA A 45 -7.663 -8.339 8.117 1.00 0.00 O ATOM 735 CB ALA A 45 -6.315 -7.763 11.061 1.00 0.00 C ATOM 0 H ALA A 45 -3.976 -7.973 10.338 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.250 -9.517 9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.398 -7.786 11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.846 -8.263 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.976 -6.728 11.018 1.00 0.00 H new ATOM 741 N TYR A 46 -6.082 -6.739 8.090 1.00 0.00 N ATOM 742 CA TYR A 46 -6.657 -6.034 6.951 1.00 0.00 C ATOM 743 C TYR A 46 -6.704 -6.939 5.722 1.00 0.00 C ATOM 744 O TYR A 46 -7.722 -7.019 5.035 1.00 0.00 O ATOM 745 CB TYR A 46 -5.846 -4.773 6.643 1.00 0.00 C ATOM 746 CG TYR A 46 -6.338 -4.010 5.434 1.00 0.00 C ATOM 747 CD1 TYR A 46 -6.076 -4.466 4.147 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.066 -2.835 5.578 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.525 -3.772 3.040 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.517 -2.136 4.475 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.245 -2.608 3.209 1.00 0.00 C ATOM 752 OH TYR A 46 -7.693 -1.915 2.109 1.00 0.00 O ATOM 0 H TYR A 46 -5.233 -6.315 8.463 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.677 -5.746 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.872 -4.115 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.804 -5.052 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.513 -5.377 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.283 -2.462 6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.313 -4.139 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.080 -1.224 4.604 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.524 -1.447 2.333 1.00 0.00 H new ATOM 762 N ALA A 47 -5.594 -7.616 5.451 1.00 0.00 N ATOM 763 CA ALA A 47 -5.507 -8.515 4.307 1.00 0.00 C ATOM 764 C ALA A 47 -6.279 -9.806 4.559 1.00 0.00 C ATOM 765 O ALA A 47 -6.765 -10.444 3.625 1.00 0.00 O ATOM 766 CB ALA A 47 -4.051 -8.823 3.990 1.00 0.00 C ATOM 0 H ALA A 47 -4.742 -7.559 6.008 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.959 -8.016 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.999 -9.495 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.526 -7.897 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.583 -9.298 4.853 1.00 0.00 H new ATOM 772 N LYS A 48 -6.387 -10.188 5.828 1.00 0.00 N ATOM 773 CA LYS A 48 -7.097 -11.406 6.203 1.00 0.00 C ATOM 774 C LYS A 48 -8.595 -11.271 5.943 1.00 0.00 C ATOM 775 O LYS A 48 -9.258 -12.236 5.567 1.00 0.00 O ATOM 776 CB LYS A 48 -6.852 -11.729 7.678 1.00 0.00 C ATOM 777 CG LYS A 48 -5.649 -12.627 7.912 1.00 0.00 C ATOM 778 CD LYS A 48 -5.113 -12.481 9.327 1.00 0.00 C ATOM 779 CE LYS A 48 -6.147 -12.895 10.361 1.00 0.00 C ATOM 780 NZ LYS A 48 -5.982 -12.152 11.640 1.00 0.00 N ATOM 0 H LYS A 48 -5.992 -9.672 6.614 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.714 -12.221 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.712 -10.798 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.740 -12.210 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.928 -13.665 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.864 -12.380 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.217 -13.091 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.818 -11.446 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.147 -12.718 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.063 -13.965 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.706 -12.463 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.037 -12.340 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.087 -11.132 11.465 1.00 0.00 H new ATOM 794 N LYS A 49 -9.122 -10.068 6.149 1.00 0.00 N ATOM 795 CA LYS A 49 -10.544 -9.813 5.939 1.00 0.00 C ATOM 796 C LYS A 49 -10.869 -9.704 4.453 1.00 0.00 C ATOM 797 O LYS A 49 -11.926 -10.147 4.005 1.00 0.00 O ATOM 798 CB LYS A 49 -10.965 -8.531 6.661 1.00 0.00 C ATOM 799 CG LYS A 49 -10.143 -7.315 6.270 1.00 0.00 C ATOM 800 CD LYS A 49 -10.823 -6.023 6.696 1.00 0.00 C ATOM 801 CE LYS A 49 -10.617 -4.921 5.671 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.820 -4.055 5.534 1.00 0.00 N ATOM 0 H LYS A 49 -8.588 -9.256 6.460 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.101 -10.655 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.016 -8.333 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.881 -8.685 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.157 -7.378 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.991 -7.309 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.890 -6.200 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.427 -5.703 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.762 -4.311 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.378 -5.365 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.637 -3.316 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.631 -4.632 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.034 -3.611 6.450 1.00 0.00 H new ATOM 816 N VAL A 50 -9.955 -9.111 3.691 1.00 0.00 N ATOM 817 CA VAL A 50 -10.151 -8.944 2.255 1.00 0.00 C ATOM 818 C VAL A 50 -9.939 -10.258 1.513 1.00 0.00 C ATOM 819 O VAL A 50 -10.789 -10.678 0.729 1.00 0.00 O ATOM 820 CB VAL A 50 -9.203 -7.878 1.675 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.548 -7.588 0.222 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.251 -6.605 2.508 1.00 0.00 C ATOM 0 H VAL A 50 -9.073 -8.739 4.043 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.181 -8.615 2.115 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.186 -8.268 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.867 -6.832 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.452 -8.502 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.573 -7.222 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.574 -5.865 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.267 -6.209 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.947 -6.828 3.531 1.00 0.00 H new ATOM 832 N GLU A 51 -8.805 -10.910 1.765 1.00 0.00 N ATOM 833 CA GLU A 51 -8.502 -12.182 1.114 1.00 0.00 C ATOM 834 C GLU A 51 -9.687 -13.131 1.232 1.00 0.00 C ATOM 835 O GLU A 51 -10.112 -13.737 0.249 1.00 0.00 O ATOM 836 CB GLU A 51 -7.250 -12.817 1.725 1.00 0.00 C ATOM 837 CG GLU A 51 -7.435 -13.276 3.163 1.00 0.00 C ATOM 838 CD GLU A 51 -6.152 -13.808 3.773 1.00 0.00 C ATOM 839 OE1 GLU A 51 -5.228 -13.001 4.008 1.00 0.00 O ATOM 840 OE2 GLU A 51 -6.073 -15.030 4.017 1.00 0.00 O ATOM 0 H GLU A 51 -8.087 -10.581 2.410 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.310 -11.991 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.953 -13.671 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.432 -12.097 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.800 -12.442 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.199 -14.053 3.198 1.00 0.00 H new ATOM 847 N GLY A 52 -10.235 -13.234 2.439 1.00 0.00 N ATOM 848 CA GLY A 52 -11.386 -14.086 2.652 1.00 0.00 C ATOM 849 C GLY A 52 -12.573 -13.604 1.846 1.00 0.00 C ATOM 850 O GLY A 52 -13.411 -14.396 1.416 1.00 0.00 O ATOM 0 H GLY A 52 -9.902 -12.744 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.142 -15.110 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.642 -14.099 3.711 1.00 0.00 H new ATOM 854 N ASP A 53 -12.628 -12.291 1.632 1.00 0.00 N ATOM 855 CA ASP A 53 -13.701 -11.681 0.859 1.00 0.00 C ATOM 856 C ASP A 53 -13.457 -11.879 -0.633 1.00 0.00 C ATOM 857 O ASP A 53 -14.398 -11.943 -1.426 1.00 0.00 O ATOM 858 CB ASP A 53 -13.805 -10.189 1.179 1.00 0.00 C ATOM 859 CG ASP A 53 -14.784 -9.905 2.300 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.805 -10.618 2.392 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.531 -8.969 3.087 1.00 0.00 O ATOM 0 H ASP A 53 -11.937 -11.629 1.986 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.640 -12.164 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.821 -9.810 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.115 -9.649 0.284 1.00 0.00 H new ATOM 866 N MET A 54 -12.184 -11.974 -1.007 1.00 0.00 N ATOM 867 CA MET A 54 -11.804 -12.166 -2.401 1.00 0.00 C ATOM 868 C MET A 54 -12.250 -13.537 -2.902 1.00 0.00 C ATOM 869 O MET A 54 -12.808 -13.660 -3.992 1.00 0.00 O ATOM 870 CB MET A 54 -10.290 -12.020 -2.562 1.00 0.00 C ATOM 871 CG MET A 54 -9.793 -10.595 -2.374 1.00 0.00 C ATOM 872 SD MET A 54 -10.324 -9.494 -3.699 1.00 0.00 S ATOM 873 CE MET A 54 -11.495 -8.455 -2.828 1.00 0.00 C ATOM 0 H MET A 54 -11.397 -11.921 -0.361 1.00 0.00 H new ATOM 0 HA MET A 54 -12.302 -11.401 -2.997 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.792 -12.668 -1.841 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.003 -12.368 -3.554 1.00 0.00 H new ATOM 0 HG2 MET A 54 -10.155 -10.211 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.704 -10.598 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.171 -7.989 -3.545 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.070 -9.062 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.957 -7.681 -2.280 1.00 0.00 H new ATOM 883 N TYR A 55 -12.000 -14.562 -2.095 1.00 0.00 N ATOM 884 CA TYR A 55 -12.373 -15.928 -2.449 1.00 0.00 C ATOM 885 C TYR A 55 -13.885 -16.057 -2.638 1.00 0.00 C ATOM 886 O TYR A 55 -14.365 -16.975 -3.292 1.00 0.00 O ATOM 887 CB TYR A 55 -11.887 -16.912 -1.382 1.00 0.00 C ATOM 888 CG TYR A 55 -11.971 -18.363 -1.810 1.00 0.00 C ATOM 889 CD1 TYR A 55 -10.943 -18.962 -2.535 1.00 0.00 C ATOM 890 CD2 TYR A 55 -13.080 -19.134 -1.488 1.00 0.00 C ATOM 891 CE1 TYR A 55 -11.021 -20.288 -2.924 1.00 0.00 C ATOM 892 CE2 TYR A 55 -13.165 -20.459 -1.873 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.134 -21.030 -2.591 1.00 0.00 C ATOM 894 OH TYR A 55 -12.217 -22.349 -2.975 1.00 0.00 O ATOM 0 H TYR A 55 -11.540 -14.473 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.891 -16.170 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.854 -16.677 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.478 -16.774 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.071 -18.382 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -13.890 -18.691 -0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.215 -20.738 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.034 -21.045 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.064 -22.729 -2.661 1.00 0.00 H new ATOM 904 N GLU A 56 -14.639 -15.151 -2.039 1.00 0.00 N ATOM 905 CA GLU A 56 -16.090 -15.189 -2.148 1.00 0.00 C ATOM 906 C GLU A 56 -16.588 -14.372 -3.337 1.00 0.00 C ATOM 907 O GLU A 56 -17.614 -14.693 -3.936 1.00 0.00 O ATOM 908 CB GLU A 56 -16.710 -14.714 -0.846 1.00 0.00 C ATOM 909 CG GLU A 56 -16.141 -15.455 0.347 1.00 0.00 C ATOM 910 CD GLU A 56 -17.214 -16.046 1.240 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.156 -15.311 1.603 1.00 0.00 O ATOM 912 OE2 GLU A 56 -17.115 -17.245 1.575 1.00 0.00 O ATOM 0 H GLU A 56 -14.274 -14.383 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.399 -16.219 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.535 -13.645 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.790 -14.858 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.488 -16.253 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.524 -14.773 0.932 1.00 0.00 H new ATOM 919 N SER A 57 -15.855 -13.316 -3.679 1.00 0.00 N ATOM 920 CA SER A 57 -16.226 -12.462 -4.802 1.00 0.00 C ATOM 921 C SER A 57 -16.091 -13.220 -6.119 1.00 0.00 C ATOM 922 O SER A 57 -17.003 -13.222 -6.945 1.00 0.00 O ATOM 923 CB SER A 57 -15.350 -11.207 -4.828 1.00 0.00 C ATOM 924 OG SER A 57 -15.751 -10.326 -5.863 1.00 0.00 O ATOM 0 H SER A 57 -15.003 -13.032 -3.196 1.00 0.00 H new ATOM 0 HA SER A 57 -17.267 -12.164 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.412 -10.696 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.307 -11.491 -4.971 1.00 0.00 H new ATOM 0 HG SER A 57 -15.558 -9.402 -5.599 1.00 0.00 H new ATOM 930 N ALA A 58 -14.948 -13.873 -6.297 1.00 0.00 N ATOM 931 CA ALA A 58 -14.681 -14.651 -7.497 1.00 0.00 C ATOM 932 C ALA A 58 -15.437 -15.952 -7.479 1.00 0.00 C ATOM 933 O ALA A 58 -15.373 -16.705 -6.516 1.00 0.00 O ATOM 934 CB ALA A 58 -13.195 -14.935 -7.622 1.00 0.00 C ATOM 0 H ALA A 58 -14.187 -13.877 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.014 -14.064 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.011 -15.518 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.648 -13.994 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.858 -15.498 -6.752 1.00 0.00 H new ATOM 940 N ASN A 59 -16.110 -16.241 -8.572 1.00 0.00 N ATOM 941 CA ASN A 59 -16.812 -17.498 -8.692 1.00 0.00 C ATOM 942 C ASN A 59 -15.941 -18.436 -9.507 1.00 0.00 C ATOM 943 O ASN A 59 -16.351 -19.536 -9.868 1.00 0.00 O ATOM 944 CB ASN A 59 -18.182 -17.338 -9.351 1.00 0.00 C ATOM 945 CG ASN A 59 -18.096 -16.694 -10.722 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.404 -15.514 -10.887 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.676 -17.471 -11.714 1.00 0.00 N ATOM 0 H ASN A 59 -16.185 -15.628 -9.383 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.996 -17.899 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.654 -18.316 -9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.822 -16.733 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.598 -17.095 -12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.431 -18.444 -11.531 1.00 0.00 H new ATOM 954 N SER A 60 -14.723 -17.972 -9.799 1.00 0.00 N ATOM 955 CA SER A 60 -13.778 -18.763 -10.581 1.00 0.00 C ATOM 956 C SER A 60 -12.337 -18.450 -10.192 1.00 0.00 C ATOM 957 O SER A 60 -12.073 -17.510 -9.442 1.00 0.00 O ATOM 958 CB SER A 60 -13.980 -18.504 -12.075 1.00 0.00 C ATOM 959 OG SER A 60 -13.657 -19.651 -12.841 1.00 0.00 O ATOM 0 H SER A 60 -14.373 -17.060 -9.507 1.00 0.00 H new ATOM 0 HA SER A 60 -13.968 -19.815 -10.368 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.016 -18.219 -12.261 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.357 -17.666 -12.389 1.00 0.00 H new ATOM 0 HG SER A 60 -13.796 -19.459 -13.792 1.00 0.00 H new ATOM 965 N ARG A 61 -11.407 -19.248 -10.711 1.00 0.00 N ATOM 966 CA ARG A 61 -9.990 -19.062 -10.424 1.00 0.00 C ATOM 967 C ARG A 61 -9.469 -17.783 -11.073 1.00 0.00 C ATOM 968 O ARG A 61 -8.995 -16.876 -10.388 1.00 0.00 O ATOM 969 CB ARG A 61 -9.187 -20.264 -10.928 1.00 0.00 C ATOM 970 CG ARG A 61 -7.809 -20.389 -10.297 1.00 0.00 C ATOM 971 CD ARG A 61 -6.899 -19.242 -10.706 1.00 0.00 C ATOM 972 NE ARG A 61 -5.519 -19.680 -10.902 1.00 0.00 N ATOM 973 CZ ARG A 61 -4.567 -18.917 -11.434 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.842 -17.679 -11.826 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.339 -19.393 -11.576 1.00 0.00 N ATOM 0 H ARG A 61 -11.611 -20.030 -11.333 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.870 -18.977 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.751 -21.175 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.076 -20.187 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.906 -20.408 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.357 -21.336 -10.593 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.272 -18.795 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.928 -18.466 -9.941 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.270 -20.626 -10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.786 -17.308 -11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.109 -17.098 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.123 -20.344 -11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.609 -18.808 -11.984 1.00 0.00 H new ATOM 989 N ASP A 62 -9.563 -17.718 -12.399 1.00 0.00 N ATOM 990 CA ASP A 62 -9.103 -16.552 -13.147 1.00 0.00 C ATOM 991 C ASP A 62 -9.652 -15.266 -12.540 1.00 0.00 C ATOM 992 O ASP A 62 -8.920 -14.294 -12.351 1.00 0.00 O ATOM 993 CB ASP A 62 -9.528 -16.660 -14.612 1.00 0.00 C ATOM 994 CG ASP A 62 -8.582 -17.520 -15.427 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.440 -18.718 -15.103 1.00 0.00 O ATOM 996 OD2 ASP A 62 -7.982 -16.996 -16.389 1.00 0.00 O ATOM 0 H ASP A 62 -9.954 -18.461 -12.978 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.015 -16.523 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.533 -17.079 -14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.575 -15.662 -15.048 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.944 -15.268 -12.229 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.588 -14.104 -11.635 1.00 0.00 C ATOM 1003 C GLU A 63 -10.914 -13.743 -10.316 1.00 0.00 C ATOM 1004 O GLU A 63 -10.553 -12.589 -10.086 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.075 -14.374 -11.406 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.861 -13.141 -10.993 1.00 0.00 C ATOM 1007 CD GLU A 63 -15.257 -13.114 -11.583 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.377 -12.978 -12.819 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -16.231 -13.229 -10.810 1.00 0.00 O ATOM 0 H GLU A 63 -11.565 -16.063 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.487 -13.266 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.507 -14.780 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.183 -15.138 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.930 -13.106 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.321 -12.248 -11.307 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.740 -14.745 -9.457 1.00 0.00 N ATOM 1017 CA TYR A 64 -10.101 -14.548 -8.159 1.00 0.00 C ATOM 1018 C TYR A 64 -8.794 -13.777 -8.311 1.00 0.00 C ATOM 1019 O TYR A 64 -8.499 -12.870 -7.533 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.839 -15.904 -7.497 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.137 -15.814 -6.159 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.597 -14.961 -5.165 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.014 -16.587 -5.892 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.958 -14.881 -3.942 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.370 -16.514 -4.672 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.846 -15.659 -3.701 1.00 0.00 C ATOM 1027 OH TYR A 64 -7.207 -15.582 -2.484 1.00 0.00 O ATOM 0 H TYR A 64 -11.034 -15.705 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.771 -13.964 -7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.790 -16.420 -7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.237 -16.515 -8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.468 -14.350 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.638 -17.257 -6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.328 -14.212 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.499 -17.123 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.443 -16.195 -2.476 1.00 0.00 H new ATOM 1037 N TYR A 65 -8.020 -14.144 -9.324 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.745 -13.493 -9.595 1.00 0.00 C ATOM 1039 C TYR A 65 -6.949 -12.147 -10.290 1.00 0.00 C ATOM 1040 O TYR A 65 -6.101 -11.260 -10.203 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.865 -14.400 -10.458 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.733 -15.050 -9.695 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.560 -14.354 -9.429 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.837 -16.358 -9.240 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.523 -14.944 -8.731 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.804 -16.955 -8.543 1.00 0.00 C ATOM 1047 CZ TYR A 65 -2.650 -16.245 -8.291 1.00 0.00 C ATOM 1048 OH TYR A 65 -1.619 -16.835 -7.596 1.00 0.00 O ATOM 0 H TYR A 65 -8.255 -14.893 -9.975 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.249 -13.311 -8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.486 -15.178 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.450 -13.815 -11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.457 -13.336 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.740 -16.918 -9.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.618 -14.389 -8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.901 -17.974 -8.197 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.868 -17.752 -7.357 1.00 0.00 H new ATOM 1058 N HIS A 66 -8.070 -12.009 -10.993 1.00 0.00 N ATOM 1059 CA HIS A 66 -8.374 -10.777 -11.718 1.00 0.00 C ATOM 1060 C HIS A 66 -8.796 -9.652 -10.775 1.00 0.00 C ATOM 1061 O HIS A 66 -8.188 -8.582 -10.766 1.00 0.00 O ATOM 1062 CB HIS A 66 -9.475 -11.030 -12.749 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.953 -11.347 -14.116 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -8.937 -12.622 -14.640 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -8.424 -10.544 -15.071 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -8.422 -12.590 -15.857 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.103 -11.341 -16.141 1.00 0.00 N ATOM 0 H HIS A 66 -8.783 -12.734 -11.076 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.462 -10.463 -12.226 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.099 -11.855 -12.407 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.115 -10.150 -12.808 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.271 -13.460 -14.163 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.282 -9.476 -15.003 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.285 -13.441 -16.508 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.843 -9.890 -9.990 1.00 0.00 N ATOM 1077 CA LEU A 67 -10.338 -8.878 -9.059 1.00 0.00 C ATOM 1078 C LEU A 67 -9.344 -8.641 -7.926 1.00 0.00 C ATOM 1079 O LEU A 67 -9.221 -7.525 -7.420 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.711 -9.283 -8.501 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.695 -10.253 -7.312 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.897 -10.011 -6.413 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.678 -11.692 -7.800 1.00 0.00 C ATOM 0 H LEU A 67 -10.362 -10.768 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.451 -7.942 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.239 -8.379 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.289 -9.736 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.789 -10.074 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.870 -10.707 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.870 -8.988 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.814 -10.164 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.667 -12.366 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.567 -11.883 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.788 -11.860 -8.406 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.636 -9.694 -7.535 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.654 -9.596 -6.463 1.00 0.00 C ATOM 1097 C LEU A 68 -6.451 -8.767 -6.904 1.00 0.00 C ATOM 1098 O LEU A 68 -5.822 -8.087 -6.093 1.00 0.00 O ATOM 1099 CB LEU A 68 -7.199 -10.991 -6.031 1.00 0.00 C ATOM 1100 CG LEU A 68 -6.236 -11.021 -4.844 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.402 -12.310 -4.055 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.799 -10.865 -5.319 1.00 0.00 C ATOM 0 H LEU A 68 -8.724 -10.624 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.124 -9.098 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.080 -11.582 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.720 -11.479 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.473 -10.184 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.709 -12.314 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.424 -12.380 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.192 -13.162 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.127 -10.889 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.549 -11.681 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.689 -9.914 -5.840 1.00 0.00 H new ATOM 1114 N ALA A 69 -6.138 -8.827 -8.194 1.00 0.00 N ATOM 1115 CA ALA A 69 -5.012 -8.081 -8.744 1.00 0.00 C ATOM 1116 C ALA A 69 -5.368 -6.610 -8.930 1.00 0.00 C ATOM 1117 O ALA A 69 -4.528 -5.730 -8.744 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.571 -8.691 -10.065 1.00 0.00 C ATOM 0 H ALA A 69 -6.649 -9.385 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.186 -8.141 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.730 -8.124 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.268 -9.726 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.398 -8.661 -10.774 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.619 -6.350 -9.300 1.00 0.00 N ATOM 1125 CA GLU A 70 -7.087 -4.984 -9.511 1.00 0.00 C ATOM 1126 C GLU A 70 -6.887 -4.141 -8.256 1.00 0.00 C ATOM 1127 O GLU A 70 -6.407 -3.009 -8.326 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.565 -4.983 -9.909 1.00 0.00 C ATOM 1129 CG GLU A 70 -9.116 -3.597 -10.200 1.00 0.00 C ATOM 1130 CD GLU A 70 -10.541 -3.422 -9.712 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -11.317 -4.397 -9.786 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -10.879 -2.311 -9.255 1.00 0.00 O ATOM 0 H GLU A 70 -7.326 -7.067 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.500 -4.547 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.695 -5.609 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.149 -5.436 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.479 -2.850 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.078 -3.413 -11.274 1.00 0.00 H new ATOM 1139 N LYS A 71 -7.253 -4.701 -7.107 1.00 0.00 N ATOM 1140 CA LYS A 71 -7.109 -4.002 -5.836 1.00 0.00 C ATOM 1141 C LYS A 71 -5.649 -3.653 -5.576 1.00 0.00 C ATOM 1142 O LYS A 71 -5.310 -2.495 -5.334 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.654 -4.859 -4.692 1.00 0.00 C ATOM 1144 CG LYS A 71 -9.170 -4.836 -4.582 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.624 -4.840 -3.132 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.251 -3.545 -2.428 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.392 -2.591 -2.377 1.00 0.00 N ATOM 0 H LYS A 71 -7.651 -5.637 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.683 -3.077 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.324 -5.888 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.225 -4.511 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.559 -3.950 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.586 -5.702 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.704 -4.981 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.171 -5.683 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.918 -3.766 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.412 -3.080 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.096 -1.721 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.694 -2.359 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.184 -3.025 -1.861 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.787 -4.662 -5.633 1.00 0.00 N ATOM 1162 CA ILE A 72 -3.361 -4.464 -5.409 1.00 0.00 C ATOM 1163 C ILE A 72 -2.757 -3.578 -6.493 1.00 0.00 C ATOM 1164 O ILE A 72 -1.810 -2.831 -6.244 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.605 -5.808 -5.379 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -3.293 -6.786 -4.425 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -1.154 -5.593 -4.972 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -3.490 -6.235 -3.029 1.00 0.00 C ATOM 0 H ILE A 72 -5.052 -5.626 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.255 -3.976 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.620 -6.237 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.263 -7.061 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.701 -7.699 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.635 -6.551 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.670 -4.930 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.117 -5.144 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.983 -6.983 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.521 -5.986 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.108 -5.338 -3.076 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.316 -3.665 -7.694 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.840 -2.872 -8.821 1.00 0.00 C ATOM 1182 C TYR A 73 -3.185 -1.397 -8.630 1.00 0.00 C ATOM 1183 O TYR A 73 -2.353 -0.520 -8.860 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.451 -3.399 -10.126 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.328 -2.447 -11.296 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.089 -1.958 -11.692 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.451 -2.040 -12.003 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.976 -1.088 -12.761 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.346 -1.172 -13.072 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.106 -0.698 -13.447 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.997 0.167 -14.511 1.00 0.00 O ATOM 0 H TYR A 73 -4.101 -4.278 -7.913 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.755 -2.962 -8.875 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.968 -4.341 -10.386 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.506 -3.617 -9.958 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.201 -2.262 -11.157 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.424 -2.408 -11.712 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.006 -0.716 -13.057 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.230 -0.866 -13.612 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.886 0.340 -14.885 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.417 -1.132 -8.208 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.873 0.236 -7.988 1.00 0.00 C ATOM 1203 C LYS A 74 -4.203 0.845 -6.760 1.00 0.00 C ATOM 1204 O LYS A 74 -3.742 1.985 -6.795 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.393 0.268 -7.824 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.986 1.665 -7.922 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.200 2.276 -6.548 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.336 3.286 -6.559 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.621 2.672 -6.994 1.00 0.00 N ATOM 0 H LYS A 74 -5.118 -1.847 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.596 0.829 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.846 -0.364 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.655 -0.162 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.323 2.303 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.936 1.622 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.420 1.488 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.282 2.763 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.455 3.709 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.083 4.110 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.373 2.927 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.870 3.022 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.519 1.637 -7.023 1.00 0.00 H new ATOM 1223 N ILE A 75 -4.155 0.078 -5.676 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.542 0.545 -4.437 1.00 0.00 C ATOM 1225 C ILE A 75 -2.039 0.740 -4.607 1.00 0.00 C ATOM 1226 O ILE A 75 -1.444 1.624 -3.991 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.795 -0.440 -3.277 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -5.289 -0.747 -3.156 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -3.259 0.129 -1.971 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.578 -2.136 -2.628 1.00 0.00 C ATOM 0 H ILE A 75 -4.533 -0.868 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.005 1.502 -4.197 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.268 -1.370 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.751 -0.012 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.756 -0.634 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.445 -0.578 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.187 0.302 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.761 1.071 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.656 -2.285 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.146 -2.878 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.141 -2.246 -1.636 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.430 -0.092 -5.447 1.00 0.00 N ATOM 1243 CA GLN A 76 0.004 -0.010 -5.697 1.00 0.00 C ATOM 1244 C GLN A 76 0.366 1.314 -6.363 1.00 0.00 C ATOM 1245 O GLN A 76 1.461 1.842 -6.165 1.00 0.00 O ATOM 1246 CB GLN A 76 0.457 -1.177 -6.575 1.00 0.00 C ATOM 1247 CG GLN A 76 0.861 -2.411 -5.786 1.00 0.00 C ATOM 1248 CD GLN A 76 2.365 -2.545 -5.644 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.035 -1.649 -5.130 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.905 -3.669 -6.101 1.00 0.00 N ATOM 0 H GLN A 76 -1.907 -0.830 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 76 0.518 -0.065 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.350 -1.441 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.300 -0.855 -7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.408 -2.369 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.466 -3.299 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.313 -4.386 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.912 -3.815 -6.033 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.559 1.845 -7.156 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.337 3.107 -7.852 1.00 0.00 C ATOM 1261 C LYS A 77 -0.463 4.289 -6.896 1.00 0.00 C ATOM 1262 O LYS A 77 0.173 5.324 -7.087 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.333 3.258 -9.005 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.770 2.838 -10.353 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.341 1.380 -10.349 1.00 0.00 C ATOM 1266 CE LYS A 77 0.883 1.157 -11.223 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.586 -0.111 -10.881 1.00 0.00 N ATOM 0 H LYS A 77 -1.470 1.421 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 77 0.676 3.098 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.220 2.662 -8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.655 4.298 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.521 2.995 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.083 3.468 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.122 1.067 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.162 0.757 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.582 1.134 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.570 1.996 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.414 -0.226 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.896 -0.079 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.939 -0.914 -11.016 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.287 4.127 -5.866 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.495 5.183 -4.880 1.00 0.00 C ATOM 1283 C GLU A 78 -0.218 5.460 -4.092 1.00 0.00 C ATOM 1284 O GLU A 78 -0.031 6.555 -3.562 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.624 4.797 -3.922 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.000 5.236 -4.395 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.879 5.723 -3.260 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.341 6.329 -2.311 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.106 5.498 -3.322 1.00 0.00 O ATOM 0 H GLU A 78 -1.821 3.276 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.771 6.092 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.623 3.715 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.427 5.238 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.890 6.032 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.490 4.402 -4.897 1.00 0.00 H new ATOM 1296 N LEU A 79 0.659 4.462 -4.016 1.00 0.00 N ATOM 1297 CA LEU A 79 1.916 4.600 -3.290 1.00 0.00 C ATOM 1298 C LEU A 79 2.720 5.794 -3.797 1.00 0.00 C ATOM 1299 O LEU A 79 3.342 6.513 -3.014 1.00 0.00 O ATOM 1300 CB LEU A 79 2.746 3.321 -3.421 1.00 0.00 C ATOM 1301 CG LEU A 79 4.074 3.329 -2.660 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.847 3.666 -1.194 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.774 1.985 -2.798 1.00 0.00 C ATOM 0 H LEU A 79 0.521 3.549 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 79 1.678 4.770 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.148 2.480 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.951 3.146 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 79 4.715 4.097 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.802 3.667 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.388 4.651 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.188 2.921 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.717 2.008 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.137 1.200 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.970 1.783 -3.851 1.00 0.00 H new ATOM 1315 N GLU A 80 2.705 6.000 -5.109 1.00 0.00 N ATOM 1316 CA GLU A 80 3.435 7.107 -5.718 1.00 0.00 C ATOM 1317 C GLU A 80 2.956 8.447 -5.165 1.00 0.00 C ATOM 1318 O GLU A 80 3.727 9.403 -5.073 1.00 0.00 O ATOM 1319 CB GLU A 80 3.274 7.080 -7.240 1.00 0.00 C ATOM 1320 CG GLU A 80 1.860 7.381 -7.711 1.00 0.00 C ATOM 1321 CD GLU A 80 1.730 8.764 -8.318 1.00 0.00 C ATOM 1322 OE1 GLU A 80 2.492 9.073 -9.258 1.00 0.00 O ATOM 1323 OE2 GLU A 80 0.866 9.538 -7.855 1.00 0.00 O ATOM 0 H GLU A 80 2.196 5.415 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 80 4.490 6.991 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.957 7.806 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.569 6.098 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.560 6.635 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.174 7.292 -6.869 1.00 0.00 H new ATOM 1330 N GLU A 81 1.680 8.510 -4.800 1.00 0.00 N ATOM 1331 CA GLU A 81 1.100 9.733 -4.258 1.00 0.00 C ATOM 1332 C GLU A 81 1.543 9.955 -2.815 1.00 0.00 C ATOM 1333 O GLU A 81 1.675 11.092 -2.364 1.00 0.00 O ATOM 1334 CB GLU A 81 -0.427 9.675 -4.331 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.088 11.042 -4.376 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.258 11.093 -5.338 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -2.143 10.524 -6.443 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -3.290 11.702 -4.985 1.00 0.00 O ATOM 0 H GLU A 81 1.028 7.729 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 81 1.455 10.570 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.718 9.111 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.803 9.128 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.432 11.308 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.350 11.789 -4.668 1.00 0.00 H new ATOM 1345 N LYS A 82 1.771 8.859 -2.096 1.00 0.00 N ATOM 1346 CA LYS A 82 2.200 8.935 -0.705 1.00 0.00 C ATOM 1347 C LYS A 82 3.682 9.284 -0.607 1.00 0.00 C ATOM 1348 O LYS A 82 4.123 9.892 0.368 1.00 0.00 O ATOM 1349 CB LYS A 82 1.927 7.607 0.006 1.00 0.00 C ATOM 1350 CG LYS A 82 0.613 7.587 0.772 1.00 0.00 C ATOM 1351 CD LYS A 82 0.796 8.061 2.204 1.00 0.00 C ATOM 1352 CE LYS A 82 -0.386 8.897 2.669 1.00 0.00 C ATOM 1353 NZ LYS A 82 0.019 9.928 3.663 1.00 0.00 N ATOM 0 H LYS A 82 1.666 7.910 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 82 1.629 9.726 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.921 6.804 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.744 7.399 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.113 8.224 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.206 6.576 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.915 7.200 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.711 8.649 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.847 9.383 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.141 8.245 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.815 10.476 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.436 9.463 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.720 10.566 3.235 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.140 4.920 7.540 1.00 0.00 N ATOM 1547 CA GLU B 94 -5.967 4.170 7.971 1.00 0.00 C ATOM 1548 C GLU B 94 -5.170 3.666 6.772 1.00 0.00 C ATOM 1549 O GLU B 94 -3.953 3.497 6.851 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.385 2.990 8.852 1.00 0.00 C ATOM 1551 CG GLU B 94 -5.398 2.685 9.967 1.00 0.00 C ATOM 1552 CD GLU B 94 -6.072 2.128 11.205 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -6.769 1.098 11.090 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -5.903 2.722 12.291 1.00 0.00 O ATOM 0 HA GLU B 94 -5.332 4.841 8.550 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.361 3.201 9.289 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.501 2.104 8.228 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -4.659 1.969 9.607 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -4.859 3.595 10.230 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.863 3.429 5.661 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.216 2.947 4.446 1.00 0.00 C ATOM 1563 C LEU B 95 -4.086 3.881 4.025 1.00 0.00 C ATOM 1564 O LEU B 95 -3.051 3.437 3.528 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.238 2.820 3.315 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.978 1.677 2.332 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.290 1.131 1.789 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -5.082 2.147 1.195 1.00 0.00 C ATOM 0 H LEU B 95 -6.871 3.563 5.578 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.792 1.965 4.654 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.227 2.684 3.753 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.261 3.758 2.760 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.467 0.874 2.863 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.085 0.319 1.091 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.897 0.757 2.613 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.829 1.925 1.273 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.907 1.322 0.505 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.567 2.967 0.665 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.130 2.489 1.600 1.00 0.00 H new ATOM 1580 N SER B 96 -4.293 5.177 4.231 1.00 0.00 N ATOM 1581 CA SER B 96 -3.292 6.177 3.878 1.00 0.00 C ATOM 1582 C SER B 96 -2.181 6.223 4.921 1.00 0.00 C ATOM 1583 O SER B 96 -1.027 6.511 4.601 1.00 0.00 O ATOM 1584 CB SER B 96 -3.943 7.555 3.747 1.00 0.00 C ATOM 1585 OG SER B 96 -3.343 8.305 2.705 1.00 0.00 O ATOM 0 H SER B 96 -5.145 5.560 4.641 1.00 0.00 H new ATOM 0 HA SER B 96 -2.855 5.897 2.919 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.009 7.440 3.549 1.00 0.00 H new ATOM 0 HB3 SER B 96 -3.850 8.096 4.689 1.00 0.00 H new ATOM 0 HG SER B 96 -3.778 9.181 2.640 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.535 5.938 6.170 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.566 5.947 7.260 1.00 0.00 C ATOM 1593 C ASP B 97 -0.578 4.793 7.120 1.00 0.00 C ATOM 1594 O ASP B 97 0.628 4.972 7.286 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.284 5.857 8.608 1.00 0.00 C ATOM 1596 CG ASP B 97 -1.603 6.684 9.681 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.519 6.277 10.147 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.155 7.741 10.056 1.00 0.00 O ATOM 0 H ASP B 97 -3.485 5.698 6.452 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.011 6.884 7.212 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.314 6.195 8.491 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.324 4.815 8.927 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.098 3.610 6.812 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.261 2.427 6.649 1.00 0.00 C ATOM 1605 C LEU B 98 0.746 2.623 5.521 1.00 0.00 C ATOM 1606 O LEU B 98 1.922 2.289 5.660 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.128 1.198 6.367 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.566 0.416 7.608 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -2.901 0.936 8.122 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.655 -1.070 7.298 1.00 0.00 C ATOM 0 H LEU B 98 -2.094 3.445 6.670 1.00 0.00 H new ATOM 0 HA LEU B 98 0.288 2.271 7.578 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.018 1.517 5.824 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.577 0.526 5.709 1.00 0.00 H new ATOM 0 HG LEU B 98 -0.818 0.560 8.388 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.197 0.369 9.004 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -2.805 1.990 8.384 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.659 0.822 7.347 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.968 -1.610 8.192 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.382 -1.233 6.503 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.679 -1.434 6.977 1.00 0.00 H new ATOM 1622 N LEU B 99 0.275 3.166 4.402 1.00 0.00 N ATOM 1623 CA LEU B 99 1.135 3.407 3.248 1.00 0.00 C ATOM 1624 C LEU B 99 2.284 4.344 3.612 1.00 0.00 C ATOM 1625 O LEU B 99 3.376 4.248 3.053 1.00 0.00 O ATOM 1626 CB LEU B 99 0.321 3.997 2.094 1.00 0.00 C ATOM 1627 CG LEU B 99 0.650 3.426 0.713 1.00 0.00 C ATOM 1628 CD1 LEU B 99 0.112 2.009 0.581 1.00 0.00 C ATOM 1629 CD2 LEU B 99 0.081 4.318 -0.380 1.00 0.00 C ATOM 0 H LEU B 99 -0.697 3.447 4.270 1.00 0.00 H new ATOM 0 HA LEU B 99 1.557 2.453 2.933 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.738 3.834 2.295 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.479 5.075 2.072 1.00 0.00 H new ATOM 0 HG LEU B 99 1.734 3.394 0.601 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.355 1.618 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.565 1.375 1.343 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -0.970 2.017 0.712 1.00 0.00 H new ATOM 0 HD21 LEU B 99 0.324 3.898 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.002 4.381 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU B 99 0.513 5.315 -0.297 1.00 0.00 H new ATOM 1641 N ASP B 100 2.030 5.248 4.552 1.00 0.00 N ATOM 1642 CA ASP B 100 3.042 6.201 4.989 1.00 0.00 C ATOM 1643 C ASP B 100 4.244 5.479 5.591 1.00 0.00 C ATOM 1644 O ASP B 100 5.391 5.837 5.328 1.00 0.00 O ATOM 1645 CB ASP B 100 2.451 7.172 6.014 1.00 0.00 C ATOM 1646 CG ASP B 100 3.237 8.465 6.106 1.00 0.00 C ATOM 1647 OD1 ASP B 100 4.432 8.409 6.467 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.659 9.534 5.817 1.00 0.00 O ATOM 0 H ASP B 100 1.131 5.340 5.026 1.00 0.00 H new ATOM 0 HA ASP B 100 3.376 6.763 4.117 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.419 7.396 5.745 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.429 6.693 6.993 1.00 0.00 H new ATOM 1653 N PHE B 101 3.970 4.460 6.398 1.00 0.00 N ATOM 1654 CA PHE B 101 5.028 3.685 7.036 1.00 0.00 C ATOM 1655 C PHE B 101 5.937 3.044 5.993 1.00 0.00 C ATOM 1656 O PHE B 101 7.130 2.849 6.228 1.00 0.00 O ATOM 1657 CB PHE B 101 4.425 2.605 7.938 1.00 0.00 C ATOM 1658 CG PHE B 101 5.451 1.773 8.653 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.923 2.153 9.899 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.942 0.611 8.080 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.867 1.390 10.561 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.886 -0.156 8.737 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.348 0.234 9.978 1.00 0.00 C ATOM 0 H PHE B 101 3.025 4.151 6.626 1.00 0.00 H new ATOM 0 HA PHE B 101 5.626 4.364 7.644 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.777 3.080 8.675 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.795 1.951 7.335 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.549 3.056 10.359 1.00 0.00 H new ATOM 0 HD2 PHE B 101 5.583 0.301 7.110 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.227 1.697 11.532 1.00 0.00 H new ATOM 0 HE2 PHE B 101 7.262 -1.059 8.280 1.00 0.00 H new ATOM 0 HZ PHE B 101 8.085 -0.364 10.493 1.00 0.00 H new ATOM 1673 N SER B 102 5.366 2.717 4.838 1.00 0.00 N ATOM 1674 CA SER B 102 6.125 2.099 3.757 1.00 0.00 C ATOM 1675 C SER B 102 6.911 3.146 2.975 1.00 0.00 C ATOM 1676 O SER B 102 8.079 2.941 2.644 1.00 0.00 O ATOM 1677 CB SER B 102 5.186 1.341 2.815 1.00 0.00 C ATOM 1678 OG SER B 102 4.335 0.468 3.537 1.00 0.00 O ATOM 0 H SER B 102 4.380 2.870 4.627 1.00 0.00 H new ATOM 0 HA SER B 102 6.831 1.396 4.199 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.586 2.051 2.246 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.772 0.770 2.095 1.00 0.00 H new ATOM 0 HG SER B 102 3.571 0.218 2.976 1.00 0.00 H new ATOM 1684 N ALA B 103 6.263 4.269 2.685 1.00 0.00 N ATOM 1685 CA ALA B 103 6.901 5.349 1.941 1.00 0.00 C ATOM 1686 C ALA B 103 8.112 5.892 2.691 1.00 0.00 C ATOM 1687 O ALA B 103 9.071 6.365 2.083 1.00 0.00 O ATOM 1688 CB ALA B 103 5.902 6.464 1.671 1.00 0.00 C ATOM 0 H ALA B 103 5.297 4.455 2.954 1.00 0.00 H new ATOM 0 HA ALA B 103 7.247 4.947 0.989 1.00 0.00 H new ATOM 0 HB1 ALA B 103 6.391 7.264 1.115 1.00 0.00 H new ATOM 0 HB2 ALA B 103 5.069 6.073 1.087 1.00 0.00 H new ATOM 0 HB3 ALA B 103 5.529 6.855 2.617 1.00 0.00 H new ATOM 1694 N MET B 104 8.061 5.823 4.019 1.00 0.00 N ATOM 1695 CA MET B 104 9.154 6.308 4.853 1.00 0.00 C ATOM 1696 C MET B 104 10.455 5.582 4.523 1.00 0.00 C ATOM 1697 O MET B 104 11.492 6.211 4.315 1.00 0.00 O ATOM 1698 CB MET B 104 8.815 6.123 6.333 1.00 0.00 C ATOM 1699 CG MET B 104 9.733 6.892 7.268 1.00 0.00 C ATOM 1700 SD MET B 104 8.934 7.325 8.826 1.00 0.00 S ATOM 1701 CE MET B 104 9.534 6.014 9.888 1.00 0.00 C ATOM 0 H MET B 104 7.274 5.436 4.539 1.00 0.00 H new ATOM 0 HA MET B 104 9.290 7.370 4.648 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.787 6.441 6.504 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.866 5.062 6.579 1.00 0.00 H new ATOM 0 HG2 MET B 104 10.620 6.293 7.473 1.00 0.00 H new ATOM 0 HG3 MET B 104 10.071 7.802 6.772 1.00 0.00 H new ATOM 0 HE1 MET B 104 9.127 6.143 10.891 1.00 0.00 H new ATOM 0 HE2 MET B 104 9.219 5.050 9.489 1.00 0.00 H new ATOM 0 HE3 MET B 104 10.623 6.050 9.931 1.00 0.00 H new