USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 942 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 57 ASN : amide:sc= -15! C(o=-19!,f=-24!) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -3.6! C(o=-20!,f=-19!) USER MOD Single : A 6 MET CE :methyl -174:sc= 0 (180deg=-0.0511) USER MOD Single : A 8 MET CE :methyl 140:sc= -8.82! (180deg=-10.4!) USER MOD Single : A 15 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.5) USER MOD Single : A 17 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -12.9! C(o=-13!,f=-22!) USER MOD Single : A 39 MET CE :methyl -162:sc= -12! (180deg=-14.9!) USER MOD Single : A 40 HIS : no HD1:sc=-0.00268 X(o=-0.0027,f=-0.3) USER MOD Single : A 44 HIS : no HD1:sc= -0.903 X(o=-0.9,f=-0.63) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.166 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -3.32! C(o=-4.6!,f=-3.3!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.328) USER MOD Single : A 80 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.71) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -135:sc= -3.37 (180deg=-7.13!) USER MOD Single : A 86 ASN : amide:sc= -3.99! C(o=-4!,f=-10!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.215 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 18:sc= 0.0177 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.623 K(o=-0.62,f=-5!) USER MOD Single : A 104 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.3) USER MOD Single : A 109 TYR OH : rot 0:sc= -2.06 USER MOD Single : A 111 MET CE :methyl -116:sc= -1.04 (180deg=-3.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 104.796 -7.626 -16.837 1.00 0.00 N ATOM 2 CA PRO A 2 104.455 -6.245 -17.219 1.00 0.00 C ATOM 3 C PRO A 2 102.970 -5.972 -16.960 1.00 0.00 C ATOM 4 O PRO A 2 102.239 -6.836 -16.519 1.00 0.00 O ATOM 5 CB PRO A 2 104.762 -6.202 -18.718 1.00 0.00 C ATOM 6 CG PRO A 2 104.708 -7.667 -19.216 1.00 0.00 C ATOM 7 CD PRO A 2 104.904 -8.560 -17.977 1.00 0.00 C ATOM 0 HA PRO A 2 105.007 -5.494 -16.653 1.00 0.00 H new ATOM 0 HB2 PRO A 2 104.035 -5.585 -19.246 1.00 0.00 H new ATOM 0 HB3 PRO A 2 105.744 -5.765 -18.901 1.00 0.00 H new ATOM 0 HG2 PRO A 2 103.753 -7.877 -19.698 1.00 0.00 H new ATOM 0 HG3 PRO A 2 105.487 -7.854 -19.955 1.00 0.00 H new ATOM 0 HD2 PRO A 2 104.146 -9.341 -17.925 1.00 0.00 H new ATOM 0 HD3 PRO A 2 105.874 -9.058 -17.994 1.00 0.00 H new ATOM 17 N VAL A 3 102.519 -4.778 -17.233 1.00 0.00 N ATOM 18 CA VAL A 3 101.082 -4.455 -17.005 1.00 0.00 C ATOM 19 C VAL A 3 100.624 -3.415 -18.030 1.00 0.00 C ATOM 20 O VAL A 3 101.421 -2.684 -18.585 1.00 0.00 O ATOM 21 CB VAL A 3 100.899 -3.900 -15.591 1.00 0.00 C ATOM 22 CG1 VAL A 3 101.589 -2.539 -15.478 1.00 0.00 C ATOM 23 CG2 VAL A 3 99.406 -3.740 -15.296 1.00 0.00 C ATOM 0 H VAL A 3 103.083 -4.013 -17.604 1.00 0.00 H new ATOM 0 HA VAL A 3 100.484 -5.360 -17.116 1.00 0.00 H new ATOM 0 HB VAL A 3 101.342 -4.590 -14.872 1.00 0.00 H new ATOM 0 HG11 VAL A 3 101.457 -2.147 -14.470 1.00 0.00 H new ATOM 0 HG12 VAL A 3 102.653 -2.652 -15.687 1.00 0.00 H new ATOM 0 HG13 VAL A 3 101.150 -1.848 -16.197 1.00 0.00 H new ATOM 0 HG21 VAL A 3 99.274 -3.345 -14.289 1.00 0.00 H new ATOM 0 HG22 VAL A 3 98.964 -3.052 -16.017 1.00 0.00 H new ATOM 0 HG23 VAL A 3 98.914 -4.710 -15.372 1.00 0.00 H new ATOM 33 N GLU A 4 99.348 -3.346 -18.290 1.00 0.00 N ATOM 34 CA GLU A 4 98.845 -2.357 -19.285 1.00 0.00 C ATOM 35 C GLU A 4 99.005 -0.938 -18.733 1.00 0.00 C ATOM 36 O GLU A 4 99.713 -0.124 -19.291 1.00 0.00 O ATOM 37 CB GLU A 4 97.367 -2.629 -19.573 1.00 0.00 C ATOM 38 CG GLU A 4 97.240 -3.832 -20.511 1.00 0.00 C ATOM 39 CD GLU A 4 95.785 -3.982 -20.955 1.00 0.00 C ATOM 40 OE1 GLU A 4 95.239 -3.018 -21.466 1.00 0.00 O ATOM 41 OE2 GLU A 4 95.240 -5.060 -20.778 1.00 0.00 O ATOM 0 H GLU A 4 98.633 -3.930 -17.858 1.00 0.00 H new ATOM 0 HA GLU A 4 99.420 -2.451 -20.206 1.00 0.00 H new ATOM 0 HB2 GLU A 4 96.834 -2.823 -18.642 1.00 0.00 H new ATOM 0 HB3 GLU A 4 96.907 -1.751 -20.027 1.00 0.00 H new ATOM 0 HG2 GLU A 4 97.884 -3.699 -21.380 1.00 0.00 H new ATOM 0 HG3 GLU A 4 97.572 -4.738 -20.004 1.00 0.00 H new ATOM 48 N ARG A 5 98.351 -0.631 -17.646 1.00 0.00 N ATOM 49 CA ARG A 5 98.468 0.740 -17.073 1.00 0.00 C ATOM 50 C ARG A 5 98.462 0.668 -15.544 1.00 0.00 C ATOM 51 O ARG A 5 97.518 1.086 -14.903 1.00 0.00 O ATOM 52 CB ARG A 5 97.288 1.589 -17.548 1.00 0.00 C ATOM 53 CG ARG A 5 97.142 1.458 -19.065 1.00 0.00 C ATOM 54 CD ARG A 5 95.979 2.328 -19.544 1.00 0.00 C ATOM 55 NE ARG A 5 94.970 1.476 -20.234 1.00 0.00 N ATOM 56 CZ ARG A 5 95.260 0.908 -21.373 1.00 0.00 C ATOM 57 NH1 ARG A 5 96.434 1.085 -21.916 1.00 0.00 N ATOM 58 NH2 ARG A 5 94.373 0.162 -21.972 1.00 0.00 N ATOM 0 H ARG A 5 97.743 -1.268 -17.131 1.00 0.00 H new ATOM 0 HA ARG A 5 99.403 1.191 -17.406 1.00 0.00 H new ATOM 0 HB2 ARG A 5 96.372 1.265 -17.055 1.00 0.00 H new ATOM 0 HB3 ARG A 5 97.445 2.633 -17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 5 98.065 1.764 -19.557 1.00 0.00 H new ATOM 0 HG3 ARG A 5 96.966 0.417 -19.335 1.00 0.00 H new ATOM 0 HD2 ARG A 5 95.521 2.839 -18.697 1.00 0.00 H new ATOM 0 HD3 ARG A 5 96.344 3.099 -20.222 1.00 0.00 H new ATOM 0 HE ARG A 5 94.050 1.336 -19.815 1.00 0.00 H new ATOM 0 HH11 ARG A 5 97.129 1.669 -21.450 1.00 0.00 H new ATOM 0 HH12 ARG A 5 96.657 0.639 -22.806 1.00 0.00 H new ATOM 0 HH21 ARG A 5 93.455 0.023 -21.550 1.00 0.00 H new ATOM 0 HH22 ARG A 5 94.598 -0.283 -22.862 1.00 0.00 H new ATOM 72 N MET A 6 99.518 0.150 -14.966 1.00 0.00 N ATOM 73 CA MET A 6 99.613 0.039 -13.476 1.00 0.00 C ATOM 74 C MET A 6 98.226 -0.148 -12.856 1.00 0.00 C ATOM 75 O MET A 6 97.708 0.732 -12.198 1.00 0.00 O ATOM 76 CB MET A 6 100.244 1.314 -12.914 1.00 0.00 C ATOM 77 CG MET A 6 101.767 1.171 -12.908 1.00 0.00 C ATOM 78 SD MET A 6 102.441 1.944 -11.416 1.00 0.00 S ATOM 79 CE MET A 6 102.595 0.434 -10.428 1.00 0.00 C ATOM 0 H MET A 6 100.330 -0.206 -15.471 1.00 0.00 H new ATOM 0 HA MET A 6 100.227 -0.827 -13.230 1.00 0.00 H new ATOM 0 HB2 MET A 6 99.951 2.173 -13.517 1.00 0.00 H new ATOM 0 HB3 MET A 6 99.881 1.496 -11.902 1.00 0.00 H new ATOM 0 HG2 MET A 6 102.044 0.117 -12.941 1.00 0.00 H new ATOM 0 HG3 MET A 6 102.190 1.640 -13.796 1.00 0.00 H new ATOM 0 HE1 MET A 6 102.899 0.692 -9.414 1.00 0.00 H new ATOM 0 HE2 MET A 6 101.635 -0.081 -10.399 1.00 0.00 H new ATOM 0 HE3 MET A 6 103.344 -0.219 -10.876 1.00 0.00 H new ATOM 89 N ARG A 7 97.624 -1.287 -13.056 1.00 0.00 N ATOM 90 CA ARG A 7 96.275 -1.524 -12.470 1.00 0.00 C ATOM 91 C ARG A 7 96.351 -1.359 -10.951 1.00 0.00 C ATOM 92 O ARG A 7 97.417 -1.199 -10.387 1.00 0.00 O ATOM 93 CB ARG A 7 95.814 -2.944 -12.806 1.00 0.00 C ATOM 94 CG ARG A 7 94.308 -2.944 -13.074 1.00 0.00 C ATOM 95 CD ARG A 7 94.050 -3.269 -14.546 1.00 0.00 C ATOM 96 NE ARG A 7 92.805 -4.079 -14.665 1.00 0.00 N ATOM 97 CZ ARG A 7 91.638 -3.517 -14.491 1.00 0.00 C ATOM 98 NH1 ARG A 7 91.558 -2.244 -14.214 1.00 0.00 N ATOM 99 NH2 ARG A 7 90.549 -4.230 -14.594 1.00 0.00 N ATOM 0 H ARG A 7 98.006 -2.062 -13.598 1.00 0.00 H new ATOM 0 HA ARG A 7 95.565 -0.807 -12.882 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.349 -3.314 -13.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.047 -3.618 -11.981 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.815 -3.678 -12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.884 -1.971 -12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.954 -2.348 -15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 7 94.895 -3.818 -14.962 1.00 0.00 H new ATOM 0 HE ARG A 7 92.864 -5.074 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.408 -1.685 -14.133 1.00 0.00 H new ATOM 0 HH12 ARG A 7 90.646 -1.808 -14.079 1.00 0.00 H new ATOM 0 HH21 ARG A 7 90.609 -5.225 -14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 7 89.638 -3.792 -14.458 1.00 0.00 H new ATOM 113 N MET A 8 95.234 -1.399 -10.282 1.00 0.00 N ATOM 114 CA MET A 8 95.253 -1.245 -8.802 1.00 0.00 C ATOM 115 C MET A 8 95.947 -2.457 -8.168 1.00 0.00 C ATOM 116 O MET A 8 96.561 -2.358 -7.123 1.00 0.00 O ATOM 117 CB MET A 8 93.818 -1.150 -8.280 1.00 0.00 C ATOM 118 CG MET A 8 93.835 -0.619 -6.846 1.00 0.00 C ATOM 119 SD MET A 8 93.967 -2.006 -5.691 1.00 0.00 S ATOM 120 CE MET A 8 93.678 -1.069 -4.171 1.00 0.00 C ATOM 0 H MET A 8 94.311 -1.531 -10.695 1.00 0.00 H new ATOM 0 HA MET A 8 95.797 -0.337 -8.540 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.230 -0.490 -8.917 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.342 -2.130 -8.311 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.674 0.063 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.927 -0.051 -6.646 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.045 -1.650 -3.500 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.631 -0.864 -3.683 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.184 -0.128 -4.412 1.00 0.00 H new ATOM 130 N ARG A 9 95.850 -3.601 -8.793 1.00 0.00 N ATOM 131 CA ARG A 9 96.495 -4.826 -8.234 1.00 0.00 C ATOM 132 C ARG A 9 98.011 -4.620 -8.114 1.00 0.00 C ATOM 133 O ARG A 9 98.564 -4.714 -7.033 1.00 0.00 O ATOM 134 CB ARG A 9 96.210 -6.013 -9.156 1.00 0.00 C ATOM 135 CG ARG A 9 95.039 -6.822 -8.598 1.00 0.00 C ATOM 136 CD ARG A 9 95.096 -8.250 -9.146 1.00 0.00 C ATOM 137 NE ARG A 9 93.732 -8.849 -9.104 1.00 0.00 N ATOM 138 CZ ARG A 9 93.189 -9.164 -7.958 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.837 -8.954 -6.844 1.00 0.00 N ATOM 140 NH2 ARG A 9 91.993 -9.686 -7.927 1.00 0.00 N ATOM 0 H ARG A 9 95.349 -3.740 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 9 96.087 -5.023 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.976 -5.659 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.095 -6.644 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.080 -6.837 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.095 -6.353 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.472 -8.244 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.788 -8.851 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 9 93.221 -9.013 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 9 94.770 -8.543 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.410 -9.201 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 9 91.484 -9.847 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 9 91.567 -9.933 -7.034 1.00 0.00 H new ATOM 154 N PRO A 10 98.642 -4.340 -9.225 1.00 0.00 N ATOM 155 CA PRO A 10 100.096 -4.115 -9.266 1.00 0.00 C ATOM 156 C PRO A 10 100.448 -2.800 -8.573 1.00 0.00 C ATOM 157 O PRO A 10 101.535 -2.633 -8.056 1.00 0.00 O ATOM 158 CB PRO A 10 100.423 -4.083 -10.757 1.00 0.00 C ATOM 159 CG PRO A 10 99.102 -3.752 -11.476 1.00 0.00 C ATOM 160 CD PRO A 10 97.974 -4.206 -10.533 1.00 0.00 C ATOM 0 HA PRO A 10 100.668 -4.883 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.183 -3.333 -10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.818 -5.043 -11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.029 -2.685 -11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.040 -4.269 -12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.165 -3.476 -10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.537 -5.150 -10.858 1.00 0.00 H new ATOM 168 N TRP A 11 99.532 -1.872 -8.535 1.00 0.00 N ATOM 169 CA TRP A 11 99.820 -0.586 -7.849 1.00 0.00 C ATOM 170 C TRP A 11 99.928 -0.853 -6.346 1.00 0.00 C ATOM 171 O TRP A 11 100.731 -0.259 -5.653 1.00 0.00 O ATOM 172 CB TRP A 11 98.689 0.410 -8.116 1.00 0.00 C ATOM 173 CG TRP A 11 99.086 1.756 -7.601 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.695 2.719 -8.330 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.917 2.302 -6.262 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.912 3.820 -7.521 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.450 3.612 -6.239 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.358 1.793 -5.076 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.431 4.390 -5.084 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.336 2.573 -3.909 1.00 0.00 C ATOM 181 CH2 TRP A 11 98.872 3.869 -3.912 1.00 0.00 C ATOM 0 H TRP A 11 98.602 -1.950 -8.947 1.00 0.00 H new ATOM 0 HA TRP A 11 100.753 -0.165 -8.223 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.480 0.464 -9.185 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.773 0.077 -7.629 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.967 2.641 -9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.360 4.681 -7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 11 97.943 0.796 -5.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 99.845 5.388 -5.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 97.904 2.173 -3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 11 98.853 4.464 -3.011 1.00 0.00 H new ATOM 192 N LEU A 12 99.133 -1.760 -5.841 1.00 0.00 N ATOM 193 CA LEU A 12 99.196 -2.082 -4.391 1.00 0.00 C ATOM 194 C LEU A 12 100.403 -2.984 -4.145 1.00 0.00 C ATOM 195 O LEU A 12 101.090 -2.863 -3.154 1.00 0.00 O ATOM 196 CB LEU A 12 97.916 -2.805 -3.969 1.00 0.00 C ATOM 197 CG LEU A 12 97.407 -2.220 -2.651 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.131 -0.725 -2.826 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.115 -2.932 -2.246 1.00 0.00 C ATOM 0 H LEU A 12 98.443 -2.290 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 12 99.292 -1.166 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.155 -2.700 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.110 -3.872 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 12 98.161 -2.360 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.768 -0.309 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.050 -0.217 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.377 -0.582 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.750 -2.517 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.363 -2.790 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.310 -3.997 -2.120 1.00 0.00 H new ATOM 211 N GLU A 13 100.675 -3.883 -5.052 1.00 0.00 N ATOM 212 CA GLU A 13 101.852 -4.778 -4.873 1.00 0.00 C ATOM 213 C GLU A 13 103.123 -3.927 -4.914 1.00 0.00 C ATOM 214 O GLU A 13 104.120 -4.245 -4.294 1.00 0.00 O ATOM 215 CB GLU A 13 101.887 -5.807 -6.006 1.00 0.00 C ATOM 216 CG GLU A 13 102.627 -7.063 -5.539 1.00 0.00 C ATOM 217 CD GLU A 13 102.998 -7.917 -6.753 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.632 -7.389 -7.652 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.641 -9.084 -6.764 1.00 0.00 O ATOM 0 H GLU A 13 100.136 -4.035 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 13 101.784 -5.300 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.872 -6.063 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 13 102.384 -5.384 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.526 -6.785 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.999 -7.635 -4.856 1.00 0.00 H new ATOM 226 N GLU A 14 103.089 -2.843 -5.642 1.00 0.00 N ATOM 227 CA GLU A 14 104.285 -1.959 -5.733 1.00 0.00 C ATOM 228 C GLU A 14 104.377 -1.092 -4.474 1.00 0.00 C ATOM 229 O GLU A 14 105.424 -0.969 -3.873 1.00 0.00 O ATOM 230 CB GLU A 14 104.162 -1.063 -6.969 1.00 0.00 C ATOM 231 CG GLU A 14 105.111 -1.564 -8.060 1.00 0.00 C ATOM 232 CD GLU A 14 105.984 -0.407 -8.548 1.00 0.00 C ATOM 233 OE1 GLU A 14 105.494 0.710 -8.569 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.128 -0.657 -8.892 1.00 0.00 O ATOM 0 H GLU A 14 102.280 -2.531 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 14 105.185 -2.569 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.135 -1.069 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.402 -0.032 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.737 -2.367 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.540 -1.978 -8.891 1.00 0.00 H new ATOM 241 N GLN A 15 103.291 -0.493 -4.065 1.00 0.00 N ATOM 242 CA GLN A 15 103.326 0.356 -2.837 1.00 0.00 C ATOM 243 C GLN A 15 103.820 -0.477 -1.658 1.00 0.00 C ATOM 244 O GLN A 15 104.722 -0.091 -0.943 1.00 0.00 O ATOM 245 CB GLN A 15 101.920 0.865 -2.531 1.00 0.00 C ATOM 246 CG GLN A 15 101.505 1.878 -3.594 1.00 0.00 C ATOM 247 CD GLN A 15 102.560 2.982 -3.692 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.027 3.482 -2.688 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.957 3.388 -4.868 1.00 0.00 N ATOM 0 H GLN A 15 102.383 -0.554 -4.526 1.00 0.00 H new ATOM 0 HA GLN A 15 103.997 1.200 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.216 0.033 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.895 1.326 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.392 1.383 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.536 2.309 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.565 2.969 -5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.659 4.124 -4.943 1.00 0.00 H new ATOM 258 N ILE A 16 103.225 -1.614 -1.450 1.00 0.00 N ATOM 259 CA ILE A 16 103.640 -2.486 -0.316 1.00 0.00 C ATOM 260 C ILE A 16 105.064 -3.001 -0.546 1.00 0.00 C ATOM 261 O ILE A 16 105.915 -2.905 0.315 1.00 0.00 O ATOM 262 CB ILE A 16 102.687 -3.677 -0.220 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.318 -3.203 0.278 1.00 0.00 C ATOM 264 CG2 ILE A 16 103.258 -4.703 0.758 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.429 -4.417 0.561 1.00 0.00 C ATOM 0 H ILE A 16 102.463 -1.981 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 16 103.610 -1.909 0.608 1.00 0.00 H new ATOM 0 HB ILE A 16 102.574 -4.132 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 16 101.435 -2.606 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.849 -2.562 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.581 -5.554 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 16 104.231 -5.042 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 16 103.370 -4.246 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.455 -4.080 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.302 -4.996 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.896 -5.041 1.323 1.00 0.00 H new ATOM 277 N ASN A 17 105.327 -3.561 -1.696 1.00 0.00 N ATOM 278 CA ASN A 17 106.692 -4.094 -1.970 1.00 0.00 C ATOM 279 C ASN A 17 107.745 -3.040 -1.621 1.00 0.00 C ATOM 280 O ASN A 17 108.798 -3.350 -1.100 1.00 0.00 O ATOM 281 CB ASN A 17 106.808 -4.457 -3.452 1.00 0.00 C ATOM 282 CG ASN A 17 106.323 -5.892 -3.668 1.00 0.00 C ATOM 283 OD1 ASN A 17 105.366 -6.321 -3.055 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.948 -6.657 -4.521 1.00 0.00 N ATOM 0 H ASN A 17 104.656 -3.672 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 17 106.858 -4.981 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.215 -3.768 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.842 -4.359 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.633 -7.615 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.752 -6.297 -5.036 1.00 0.00 H new ATOM 291 N SER A 18 107.473 -1.799 -1.910 1.00 0.00 N ATOM 292 CA SER A 18 108.461 -0.725 -1.601 1.00 0.00 C ATOM 293 C SER A 18 108.270 -0.247 -0.161 1.00 0.00 C ATOM 294 O SER A 18 109.166 0.308 0.443 1.00 0.00 O ATOM 295 CB SER A 18 108.255 0.450 -2.559 1.00 0.00 C ATOM 296 OG SER A 18 109.039 1.553 -2.124 1.00 0.00 O ATOM 0 H SER A 18 106.609 -1.480 -2.347 1.00 0.00 H new ATOM 0 HA SER A 18 109.470 -1.120 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 18 108.540 0.163 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.201 0.728 -2.591 1.00 0.00 H new ATOM 0 HG SER A 18 108.911 2.307 -2.736 1.00 0.00 H new ATOM 302 N ASN A 19 107.111 -0.460 0.397 1.00 0.00 N ATOM 303 CA ASN A 19 106.868 -0.021 1.798 1.00 0.00 C ATOM 304 C ASN A 19 106.675 1.495 1.835 1.00 0.00 C ATOM 305 O ASN A 19 107.545 2.231 2.257 1.00 0.00 O ATOM 306 CB ASN A 19 108.070 -0.400 2.666 1.00 0.00 C ATOM 307 CG ASN A 19 108.637 -1.741 2.198 1.00 0.00 C ATOM 308 OD1 ASN A 19 107.956 -2.509 1.547 1.00 0.00 O ATOM 309 ND2 ASN A 19 109.865 -2.056 2.504 1.00 0.00 N ATOM 0 H ASN A 19 106.322 -0.919 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 19 105.972 -0.510 2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.836 0.373 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 19 107.770 -0.465 3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 19 110.254 -2.947 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 19 110.436 -1.411 3.050 1.00 0.00 H new ATOM 316 N THR A 20 105.541 1.970 1.403 1.00 0.00 N ATOM 317 CA THR A 20 105.296 3.438 1.422 1.00 0.00 C ATOM 318 C THR A 20 104.902 3.863 2.839 1.00 0.00 C ATOM 319 O THR A 20 105.135 4.983 3.249 1.00 0.00 O ATOM 320 CB THR A 20 104.170 3.778 0.446 1.00 0.00 C ATOM 321 OG1 THR A 20 103.825 5.149 0.580 1.00 0.00 O ATOM 322 CG2 THR A 20 102.951 2.909 0.753 1.00 0.00 C ATOM 0 H THR A 20 104.774 1.406 1.038 1.00 0.00 H new ATOM 0 HA THR A 20 106.200 3.968 1.123 1.00 0.00 H new ATOM 0 HB THR A 20 104.502 3.587 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.104 5.368 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.147 3.151 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.218 1.857 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.617 3.098 1.773 1.00 0.00 H new ATOM 330 N ILE A 21 104.318 2.971 3.594 1.00 0.00 N ATOM 331 CA ILE A 21 103.922 3.315 4.991 1.00 0.00 C ATOM 332 C ILE A 21 104.205 2.108 5.896 1.00 0.00 C ATOM 333 O ILE A 21 103.967 0.980 5.507 1.00 0.00 O ATOM 334 CB ILE A 21 102.426 3.657 5.063 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.866 3.946 3.659 1.00 0.00 C ATOM 336 CG2 ILE A 21 102.234 4.886 5.954 1.00 0.00 C ATOM 337 CD1 ILE A 21 102.269 5.354 3.204 1.00 0.00 C ATOM 0 H ILE A 21 104.098 2.018 3.304 1.00 0.00 H new ATOM 0 HA ILE A 21 104.495 4.183 5.318 1.00 0.00 H new ATOM 0 HB ILE A 21 101.889 2.805 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.241 3.207 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.780 3.856 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 21 101.174 5.134 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 21 102.609 4.672 6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 21 102.782 5.729 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.866 5.544 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.872 6.090 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 21 103.356 5.430 3.176 1.00 0.00 H new ATOM 349 N PRO A 22 104.702 2.378 7.079 1.00 0.00 N ATOM 350 CA PRO A 22 105.032 1.325 8.058 1.00 0.00 C ATOM 351 C PRO A 22 103.759 0.756 8.690 1.00 0.00 C ATOM 352 O PRO A 22 103.810 -0.100 9.552 1.00 0.00 O ATOM 353 CB PRO A 22 105.894 2.052 9.095 1.00 0.00 C ATOM 354 CG PRO A 22 105.556 3.556 8.965 1.00 0.00 C ATOM 355 CD PRO A 22 104.967 3.752 7.555 1.00 0.00 C ATOM 0 HA PRO A 22 105.546 0.473 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.679 1.691 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.954 1.875 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.841 3.860 9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 22 106.448 4.167 9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 22 104.054 4.347 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.666 4.273 6.900 1.00 0.00 H new ATOM 363 N GLY A 23 102.616 1.214 8.260 1.00 0.00 N ATOM 364 CA GLY A 23 101.342 0.690 8.824 1.00 0.00 C ATOM 365 C GLY A 23 100.672 -0.207 7.781 1.00 0.00 C ATOM 366 O GLY A 23 99.781 -0.976 8.086 1.00 0.00 O ATOM 0 H GLY A 23 102.510 1.930 7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.537 0.127 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.681 1.514 9.093 1.00 0.00 H new ATOM 370 N LEU A 24 101.106 -0.121 6.551 1.00 0.00 N ATOM 371 CA LEU A 24 100.514 -0.971 5.481 1.00 0.00 C ATOM 372 C LEU A 24 101.612 -1.905 4.960 1.00 0.00 C ATOM 373 O LEU A 24 102.699 -1.465 4.644 1.00 0.00 O ATOM 374 CB LEU A 24 99.971 -0.055 4.357 1.00 0.00 C ATOM 375 CG LEU A 24 100.466 -0.505 2.972 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.741 -1.789 2.566 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.179 0.590 1.937 1.00 0.00 C ATOM 0 H LEU A 24 101.849 0.505 6.242 1.00 0.00 H new ATOM 0 HA LEU A 24 99.686 -1.571 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.881 -0.063 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.285 0.972 4.540 1.00 0.00 H new ATOM 0 HG LEU A 24 101.540 -0.687 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.091 -2.109 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.947 -2.570 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.668 -1.604 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.532 0.266 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.106 0.777 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.695 1.506 2.224 1.00 0.00 H new ATOM 389 N LYS A 25 101.356 -3.182 4.861 1.00 0.00 N ATOM 390 CA LYS A 25 102.440 -4.082 4.349 1.00 0.00 C ATOM 391 C LYS A 25 101.964 -5.532 4.221 1.00 0.00 C ATOM 392 O LYS A 25 100.830 -5.855 4.496 1.00 0.00 O ATOM 393 CB LYS A 25 103.629 -4.030 5.306 1.00 0.00 C ATOM 394 CG LYS A 25 103.119 -3.884 6.735 1.00 0.00 C ATOM 395 CD LYS A 25 102.202 -5.060 7.064 1.00 0.00 C ATOM 396 CE LYS A 25 102.275 -5.361 8.563 1.00 0.00 C ATOM 397 NZ LYS A 25 103.300 -6.415 8.810 1.00 0.00 N ATOM 0 H LYS A 25 100.474 -3.634 5.103 1.00 0.00 H new ATOM 0 HA LYS A 25 102.726 -3.732 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.226 -4.937 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.279 -3.192 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.957 -3.855 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.579 -2.944 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.176 -4.826 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.500 -5.938 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.529 -4.456 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.302 -5.693 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 103.349 -6.619 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.039 -7.280 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.228 -6.082 8.478 1.00 0.00 H new ATOM 411 N TRP A 26 102.845 -6.409 3.799 1.00 0.00 N ATOM 412 CA TRP A 26 102.476 -7.848 3.644 1.00 0.00 C ATOM 413 C TRP A 26 102.666 -8.579 4.974 1.00 0.00 C ATOM 414 O TRP A 26 103.776 -8.716 5.449 1.00 0.00 O ATOM 415 CB TRP A 26 103.418 -8.535 2.644 1.00 0.00 C ATOM 416 CG TRP A 26 103.195 -8.068 1.242 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.098 -7.378 0.512 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.042 -8.278 0.374 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.572 -7.140 -0.743 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.305 -7.670 -0.876 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.806 -8.923 0.550 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.374 -7.702 -1.915 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.866 -8.957 -0.494 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.149 -8.346 -1.723 1.00 0.00 C ATOM 0 H TRP A 26 103.810 -6.185 3.554 1.00 0.00 H new ATOM 0 HA TRP A 26 101.441 -7.888 3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.452 -8.340 2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.272 -9.614 2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.073 -7.063 0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 26 104.061 -6.634 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.577 -9.396 1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.599 -7.232 -2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.920 -9.457 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.421 -8.373 -2.521 1.00 0.00 H new ATOM 435 N LEU A 27 101.629 -9.114 5.556 1.00 0.00 N ATOM 436 CA LEU A 27 101.853 -9.891 6.810 1.00 0.00 C ATOM 437 C LEU A 27 102.367 -11.262 6.379 1.00 0.00 C ATOM 438 O LEU A 27 103.039 -11.960 7.112 1.00 0.00 O ATOM 439 CB LEU A 27 100.573 -10.068 7.633 1.00 0.00 C ATOM 440 CG LEU A 27 99.343 -9.878 6.761 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.164 -10.620 7.390 1.00 0.00 C ATOM 442 CD2 LEU A 27 99.030 -8.387 6.680 1.00 0.00 C ATOM 0 H LEU A 27 100.664 -9.052 5.232 1.00 0.00 H new ATOM 0 HA LEU A 27 102.558 -9.355 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.557 -11.062 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.559 -9.349 8.452 1.00 0.00 H new ATOM 0 HG LEU A 27 99.522 -10.272 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 27 97.278 -10.488 6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.400 -11.682 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 97.972 -10.221 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 98.149 -8.234 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 27 98.838 -8.001 7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 99.879 -7.860 6.244 1.00 0.00 H new ATOM 454 N ASN A 28 102.053 -11.630 5.164 1.00 0.00 N ATOM 455 CA ASN A 28 102.502 -12.929 4.605 1.00 0.00 C ATOM 456 C ASN A 28 102.440 -12.824 3.079 1.00 0.00 C ATOM 457 O ASN A 28 101.593 -13.416 2.437 1.00 0.00 O ATOM 458 CB ASN A 28 101.573 -14.049 5.083 1.00 0.00 C ATOM 459 CG ASN A 28 102.216 -14.783 6.260 1.00 0.00 C ATOM 460 OD1 ASN A 28 101.647 -14.850 7.332 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.387 -15.339 6.108 1.00 0.00 N ATOM 0 H ASN A 28 101.491 -11.067 4.525 1.00 0.00 H new ATOM 0 HA ASN A 28 103.516 -13.156 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 28 100.611 -13.634 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.379 -14.747 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.824 -15.829 6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 28 103.865 -15.283 5.209 1.00 0.00 H new ATOM 468 N LYS A 29 103.317 -12.048 2.495 1.00 0.00 N ATOM 469 CA LYS A 29 103.295 -11.883 1.013 1.00 0.00 C ATOM 470 C LYS A 29 103.440 -13.249 0.338 1.00 0.00 C ATOM 471 O LYS A 29 103.170 -13.399 -0.837 1.00 0.00 O ATOM 472 CB LYS A 29 104.429 -10.948 0.570 1.00 0.00 C ATOM 473 CG LYS A 29 105.787 -11.638 0.720 1.00 0.00 C ATOM 474 CD LYS A 29 106.428 -11.226 2.048 1.00 0.00 C ATOM 475 CE LYS A 29 106.164 -12.304 3.099 1.00 0.00 C ATOM 476 NZ LYS A 29 107.446 -12.970 3.464 1.00 0.00 N ATOM 0 H LYS A 29 104.045 -11.523 2.980 1.00 0.00 H new ATOM 0 HA LYS A 29 102.344 -11.441 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.278 -10.652 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.410 -10.037 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.662 -12.720 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.439 -11.365 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 29 107.501 -11.085 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 29 106.020 -10.272 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 29 105.708 -11.860 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 29 105.458 -13.039 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 107.265 -13.703 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 107.863 -13.407 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.106 -12.265 3.850 1.00 0.00 H new ATOM 490 N GLU A 30 103.847 -14.251 1.070 1.00 0.00 N ATOM 491 CA GLU A 30 103.980 -15.600 0.457 1.00 0.00 C ATOM 492 C GLU A 30 102.611 -16.017 -0.081 1.00 0.00 C ATOM 493 O GLU A 30 102.487 -16.522 -1.179 1.00 0.00 O ATOM 494 CB GLU A 30 104.446 -16.602 1.516 1.00 0.00 C ATOM 495 CG GLU A 30 103.351 -16.776 2.569 1.00 0.00 C ATOM 496 CD GLU A 30 103.854 -17.698 3.681 1.00 0.00 C ATOM 497 OE1 GLU A 30 104.514 -17.204 4.580 1.00 0.00 O ATOM 498 OE2 GLU A 30 103.570 -18.882 3.615 1.00 0.00 O ATOM 0 H GLU A 30 104.091 -14.193 2.059 1.00 0.00 H new ATOM 0 HA GLU A 30 104.711 -15.578 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 30 104.673 -17.561 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.365 -16.250 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.073 -15.807 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 30 102.455 -17.196 2.111 1.00 0.00 H new ATOM 505 N LYS A 31 101.578 -15.786 0.684 1.00 0.00 N ATOM 506 CA LYS A 31 100.208 -16.140 0.223 1.00 0.00 C ATOM 507 C LYS A 31 99.498 -14.860 -0.227 1.00 0.00 C ATOM 508 O LYS A 31 98.294 -14.825 -0.388 1.00 0.00 O ATOM 509 CB LYS A 31 99.428 -16.787 1.369 1.00 0.00 C ATOM 510 CG LYS A 31 99.230 -18.275 1.072 1.00 0.00 C ATOM 511 CD LYS A 31 98.512 -18.944 2.247 1.00 0.00 C ATOM 512 CE LYS A 31 99.324 -20.151 2.722 1.00 0.00 C ATOM 513 NZ LYS A 31 98.714 -20.705 3.964 1.00 0.00 N ATOM 0 H LYS A 31 101.626 -15.365 1.612 1.00 0.00 H new ATOM 0 HA LYS A 31 100.265 -16.845 -0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 31 99.968 -16.661 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.462 -16.297 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 98.648 -18.399 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.195 -18.753 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.387 -18.232 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 97.514 -19.260 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 31 99.348 -20.915 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.356 -19.856 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 99.266 -21.525 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 98.713 -19.976 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 97.736 -21.001 3.768 1.00 0.00 H new ATOM 527 N LYS A 32 100.249 -13.810 -0.433 1.00 0.00 N ATOM 528 CA LYS A 32 99.653 -12.519 -0.881 1.00 0.00 C ATOM 529 C LYS A 32 98.732 -11.950 0.201 1.00 0.00 C ATOM 530 O LYS A 32 97.625 -11.542 -0.079 1.00 0.00 O ATOM 531 CB LYS A 32 98.849 -12.741 -2.164 1.00 0.00 C ATOM 532 CG LYS A 32 99.795 -13.150 -3.294 1.00 0.00 C ATOM 533 CD LYS A 32 99.289 -12.578 -4.620 1.00 0.00 C ATOM 534 CE LYS A 32 99.123 -11.063 -4.494 1.00 0.00 C ATOM 535 NZ LYS A 32 99.429 -10.421 -5.803 1.00 0.00 N ATOM 0 H LYS A 32 101.261 -13.793 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 32 100.460 -11.810 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.098 -13.515 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.315 -11.830 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.801 -12.785 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.856 -14.237 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 99.991 -12.812 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.337 -13.038 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.105 -10.822 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.789 -10.676 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 99.317 -9.391 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 100.408 -10.641 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 98.777 -10.782 -6.528 1.00 0.00 H new ATOM 549 N ILE A 33 99.178 -11.900 1.428 1.00 0.00 N ATOM 550 CA ILE A 33 98.307 -11.336 2.501 1.00 0.00 C ATOM 551 C ILE A 33 98.860 -9.987 2.957 1.00 0.00 C ATOM 552 O ILE A 33 99.982 -9.890 3.414 1.00 0.00 O ATOM 553 CB ILE A 33 98.270 -12.277 3.699 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.706 -13.634 3.271 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.380 -11.662 4.777 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.850 -14.642 3.148 1.00 0.00 C ATOM 0 H ILE A 33 100.097 -12.221 1.732 1.00 0.00 H new ATOM 0 HA ILE A 33 97.300 -11.213 2.101 1.00 0.00 H new ATOM 0 HB ILE A 33 99.277 -12.422 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 33 96.975 -13.983 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.185 -13.540 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.344 -12.325 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 33 97.787 -10.696 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.373 -11.525 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.451 -15.610 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.564 -14.293 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.351 -14.743 4.111 1.00 0.00 H new ATOM 568 N PHE A 34 98.087 -8.941 2.843 1.00 0.00 N ATOM 569 CA PHE A 34 98.594 -7.610 3.274 1.00 0.00 C ATOM 570 C PHE A 34 97.583 -6.923 4.196 1.00 0.00 C ATOM 571 O PHE A 34 96.388 -6.995 3.989 1.00 0.00 O ATOM 572 CB PHE A 34 98.828 -6.730 2.039 1.00 0.00 C ATOM 573 CG PHE A 34 97.502 -6.236 1.499 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.692 -7.082 0.729 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.084 -4.928 1.772 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.467 -6.618 0.234 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.859 -4.465 1.277 1.00 0.00 C ATOM 578 CZ PHE A 34 95.051 -5.310 0.508 1.00 0.00 C ATOM 0 H PHE A 34 97.136 -8.951 2.474 1.00 0.00 H new ATOM 0 HA PHE A 34 99.529 -7.751 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.462 -5.883 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.354 -7.298 1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.013 -8.091 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.707 -4.275 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.843 -7.270 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.538 -3.456 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.106 -4.953 0.126 1.00 0.00 H new ATOM 588 N GLN A 35 98.059 -6.240 5.204 1.00 0.00 N ATOM 589 CA GLN A 35 97.132 -5.531 6.122 1.00 0.00 C ATOM 590 C GLN A 35 97.394 -4.034 6.048 1.00 0.00 C ATOM 591 O GLN A 35 98.516 -3.587 5.870 1.00 0.00 O ATOM 592 CB GLN A 35 97.327 -6.012 7.564 1.00 0.00 C ATOM 593 CG GLN A 35 98.701 -5.601 8.074 1.00 0.00 C ATOM 594 CD GLN A 35 98.611 -4.255 8.797 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.751 -3.449 8.506 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.475 -3.976 9.734 1.00 0.00 N ATOM 0 H GLN A 35 99.050 -6.145 5.428 1.00 0.00 H new ATOM 0 HA GLN A 35 96.107 -5.745 5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.552 -5.590 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 35 97.223 -7.096 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.089 -6.362 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 35 99.401 -5.530 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.198 -4.653 9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.428 -3.081 10.221 1.00 0.00 H new ATOM 605 N ILE A 36 96.359 -3.261 6.192 1.00 0.00 N ATOM 606 CA ILE A 36 96.512 -1.784 6.145 1.00 0.00 C ATOM 607 C ILE A 36 96.091 -1.238 7.514 1.00 0.00 C ATOM 608 O ILE A 36 95.311 -1.871 8.193 1.00 0.00 O ATOM 609 CB ILE A 36 95.595 -1.243 5.029 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.319 -1.347 3.687 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.211 0.223 5.271 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.338 -1.025 2.559 1.00 0.00 C ATOM 0 H ILE A 36 95.406 -3.591 6.341 1.00 0.00 H new ATOM 0 HA ILE A 36 97.537 -1.481 5.933 1.00 0.00 H new ATOM 0 HB ILE A 36 94.684 -1.841 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.162 -0.656 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.725 -2.350 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.565 0.568 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.683 0.309 6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.112 0.835 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.850 -1.098 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.510 -1.734 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.953 -0.013 2.689 1.00 0.00 H new ATOM 624 N PRO A 37 96.620 -0.093 7.882 1.00 0.00 N ATOM 625 CA PRO A 37 96.297 0.559 9.171 1.00 0.00 C ATOM 626 C PRO A 37 94.983 1.348 9.070 1.00 0.00 C ATOM 627 O PRO A 37 94.176 1.329 9.976 1.00 0.00 O ATOM 628 CB PRO A 37 97.472 1.500 9.396 1.00 0.00 C ATOM 629 CG PRO A 37 98.089 1.774 8.001 1.00 0.00 C ATOM 630 CD PRO A 37 97.608 0.644 7.070 1.00 0.00 C ATOM 0 HA PRO A 37 96.158 -0.154 9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.142 2.428 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.207 1.050 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.773 2.746 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.177 1.792 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.159 1.041 6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.433 0.000 6.764 1.00 0.00 H new ATOM 638 N TRP A 38 94.749 2.017 7.967 1.00 0.00 N ATOM 639 CA TRP A 38 93.466 2.772 7.809 1.00 0.00 C ATOM 640 C TRP A 38 93.431 3.968 8.759 1.00 0.00 C ATOM 641 O TRP A 38 94.437 4.599 9.014 1.00 0.00 O ATOM 642 CB TRP A 38 92.313 1.822 8.109 1.00 0.00 C ATOM 643 CG TRP A 38 92.547 0.597 7.305 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.335 -0.432 7.667 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.038 0.279 5.990 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.349 -1.364 6.645 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.552 -0.973 5.593 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.184 0.951 5.117 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.228 -1.534 4.364 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.852 0.400 3.884 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.372 -0.843 3.502 1.00 0.00 C ATOM 0 H TRP A 38 95.387 2.073 7.173 1.00 0.00 H new ATOM 0 HA TRP A 38 93.381 3.152 6.791 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.274 1.585 9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.358 2.279 7.849 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.869 -0.516 8.602 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.883 -2.233 6.668 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.776 1.910 5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.633 -2.493 4.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.190 0.933 3.218 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.112 -1.267 2.543 1.00 0.00 H new ATOM 662 N MET A 39 92.279 4.294 9.277 1.00 0.00 N ATOM 663 CA MET A 39 92.185 5.459 10.197 1.00 0.00 C ATOM 664 C MET A 39 92.039 4.978 11.642 1.00 0.00 C ATOM 665 O MET A 39 91.233 4.122 11.948 1.00 0.00 O ATOM 666 CB MET A 39 90.972 6.307 9.818 1.00 0.00 C ATOM 667 CG MET A 39 90.850 7.479 10.790 1.00 0.00 C ATOM 668 SD MET A 39 91.376 9.005 9.970 1.00 0.00 S ATOM 669 CE MET A 39 93.091 8.526 9.657 1.00 0.00 C ATOM 0 H MET A 39 91.401 3.804 9.103 1.00 0.00 H new ATOM 0 HA MET A 39 93.093 6.055 10.111 1.00 0.00 H new ATOM 0 HB2 MET A 39 91.076 6.676 8.798 1.00 0.00 H new ATOM 0 HB3 MET A 39 90.067 5.700 9.847 1.00 0.00 H new ATOM 0 HG2 MET A 39 89.820 7.575 11.133 1.00 0.00 H new ATOM 0 HG3 MET A 39 91.464 7.298 11.672 1.00 0.00 H new ATOM 0 HE1 MET A 39 93.685 9.416 9.451 1.00 0.00 H new ATOM 0 HE2 MET A 39 93.492 8.017 10.533 1.00 0.00 H new ATOM 0 HE3 MET A 39 93.131 7.856 8.798 1.00 0.00 H new ATOM 679 N HIS A 40 92.814 5.535 12.531 1.00 0.00 N ATOM 680 CA HIS A 40 92.730 5.133 13.963 1.00 0.00 C ATOM 681 C HIS A 40 92.693 6.392 14.831 1.00 0.00 C ATOM 682 O HIS A 40 92.846 6.333 16.035 1.00 0.00 O ATOM 683 CB HIS A 40 93.955 4.297 14.332 1.00 0.00 C ATOM 684 CG HIS A 40 93.530 3.152 15.209 1.00 0.00 C ATOM 685 ND1 HIS A 40 93.649 3.196 16.589 1.00 0.00 N ATOM 686 CD2 HIS A 40 92.982 1.928 14.918 1.00 0.00 C ATOM 687 CE1 HIS A 40 93.183 2.030 17.072 1.00 0.00 C ATOM 688 NE2 HIS A 40 92.764 1.221 16.096 1.00 0.00 N ATOM 0 H HIS A 40 93.506 6.256 12.326 1.00 0.00 H new ATOM 0 HA HIS A 40 91.829 4.543 14.128 1.00 0.00 H new ATOM 0 HB2 HIS A 40 94.437 3.920 13.430 1.00 0.00 H new ATOM 0 HB3 HIS A 40 94.688 4.915 14.851 1.00 0.00 H new ATOM 0 HD2 HIS A 40 92.755 1.568 13.925 1.00 0.00 H new ATOM 0 HE1 HIS A 40 93.152 1.779 18.122 1.00 0.00 H new ATOM 0 HE2 HIS A 40 92.369 0.286 16.193 1.00 0.00 H new ATOM 696 N ALA A 41 92.495 7.533 14.226 1.00 0.00 N ATOM 697 CA ALA A 41 92.451 8.797 15.011 1.00 0.00 C ATOM 698 C ALA A 41 91.386 9.731 14.427 1.00 0.00 C ATOM 699 O ALA A 41 90.295 9.844 14.950 1.00 0.00 O ATOM 700 CB ALA A 41 93.818 9.482 14.948 1.00 0.00 C ATOM 0 H ALA A 41 92.362 7.642 13.221 1.00 0.00 H new ATOM 0 HA ALA A 41 92.202 8.570 16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 41 93.788 10.408 15.522 1.00 0.00 H new ATOM 0 HB2 ALA A 41 94.576 8.820 15.366 1.00 0.00 H new ATOM 0 HB3 ALA A 41 94.065 9.707 13.910 1.00 0.00 H new ATOM 706 N ALA A 42 91.693 10.406 13.350 1.00 0.00 N ATOM 707 CA ALA A 42 90.693 11.335 12.747 1.00 0.00 C ATOM 708 C ALA A 42 89.418 10.568 12.396 1.00 0.00 C ATOM 709 O ALA A 42 89.463 9.496 11.834 1.00 0.00 O ATOM 710 CB ALA A 42 91.263 11.969 11.476 1.00 0.00 C ATOM 0 H ALA A 42 92.588 10.354 12.864 1.00 0.00 H new ATOM 0 HA ALA A 42 90.463 12.118 13.470 1.00 0.00 H new ATOM 0 HB1 ALA A 42 90.525 12.645 11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 92.167 12.527 11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 42 91.504 11.187 10.756 1.00 0.00 H new ATOM 716 N ARG A 43 88.277 11.111 12.716 1.00 0.00 N ATOM 717 CA ARG A 43 87.012 10.408 12.383 1.00 0.00 C ATOM 718 C ARG A 43 87.074 9.928 10.931 1.00 0.00 C ATOM 719 O ARG A 43 86.457 8.949 10.566 1.00 0.00 O ATOM 720 CB ARG A 43 85.835 11.370 12.558 1.00 0.00 C ATOM 721 CG ARG A 43 84.524 10.596 12.436 1.00 0.00 C ATOM 722 CD ARG A 43 83.775 10.649 13.768 1.00 0.00 C ATOM 723 NE ARG A 43 82.334 10.345 13.541 1.00 0.00 N ATOM 724 CZ ARG A 43 81.446 10.664 14.444 1.00 0.00 C ATOM 725 NH1 ARG A 43 81.817 11.250 15.551 1.00 0.00 N ATOM 726 NH2 ARG A 43 80.185 10.397 14.240 1.00 0.00 N ATOM 0 H ARG A 43 88.168 12.007 13.191 1.00 0.00 H new ATOM 0 HA ARG A 43 86.878 9.552 13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 43 85.892 11.859 13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 43 85.878 12.155 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.909 11.023 11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.725 9.561 12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 84.203 9.931 14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.883 11.636 14.219 1.00 0.00 H new ATOM 0 HE ARG A 43 82.040 9.887 12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.802 11.459 15.712 1.00 0.00 H new ATOM 0 HH12 ARG A 43 81.121 11.498 16.255 1.00 0.00 H new ATOM 0 HH21 ARG A 43 79.894 9.940 13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 43 79.491 10.646 14.945 1.00 0.00 H new ATOM 740 N HIS A 44 87.822 10.608 10.099 1.00 0.00 N ATOM 741 CA HIS A 44 87.922 10.183 8.673 1.00 0.00 C ATOM 742 C HIS A 44 89.238 10.681 8.065 1.00 0.00 C ATOM 743 O HIS A 44 90.115 9.906 7.740 1.00 0.00 O ATOM 744 CB HIS A 44 86.742 10.749 7.886 1.00 0.00 C ATOM 745 CG HIS A 44 85.945 9.610 7.323 1.00 0.00 C ATOM 746 ND1 HIS A 44 85.803 9.407 5.961 1.00 0.00 N ATOM 747 CD2 HIS A 44 85.255 8.592 7.929 1.00 0.00 C ATOM 748 CE1 HIS A 44 85.054 8.304 5.793 1.00 0.00 C ATOM 749 NE2 HIS A 44 84.691 7.767 6.962 1.00 0.00 N ATOM 0 H HIS A 44 88.365 11.435 10.346 1.00 0.00 H new ATOM 0 HA HIS A 44 87.901 9.094 8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 44 86.117 11.363 8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 44 87.099 11.393 7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 44 85.163 8.452 8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 44 84.779 7.900 4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 44 84.123 6.933 7.112 1.00 0.00 H new ATOM 757 N GLY A 45 89.377 11.965 7.899 1.00 0.00 N ATOM 758 CA GLY A 45 90.632 12.513 7.307 1.00 0.00 C ATOM 759 C GLY A 45 91.229 13.581 8.234 1.00 0.00 C ATOM 760 O GLY A 45 91.607 13.310 9.352 1.00 0.00 O ATOM 0 H GLY A 45 88.675 12.662 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 91.352 11.709 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 45 90.423 12.945 6.328 1.00 0.00 H new ATOM 764 N TRP A 46 91.320 14.795 7.764 1.00 0.00 N ATOM 765 CA TRP A 46 91.896 15.904 8.590 1.00 0.00 C ATOM 766 C TRP A 46 93.111 15.431 9.386 1.00 0.00 C ATOM 767 O TRP A 46 93.433 15.998 10.409 1.00 0.00 O ATOM 768 CB TRP A 46 90.857 16.439 9.574 1.00 0.00 C ATOM 769 CG TRP A 46 89.907 15.354 9.949 1.00 0.00 C ATOM 770 CD1 TRP A 46 89.999 14.566 11.043 1.00 0.00 C ATOM 771 CD2 TRP A 46 88.720 14.934 9.240 1.00 0.00 C ATOM 772 NE1 TRP A 46 88.929 13.687 11.045 1.00 0.00 N ATOM 773 CE2 TRP A 46 88.108 13.883 9.954 1.00 0.00 C ATOM 774 CE3 TRP A 46 88.128 15.371 8.055 1.00 0.00 C ATOM 775 CZ2 TRP A 46 86.931 13.285 9.501 1.00 0.00 C ATOM 776 CZ3 TRP A 46 86.944 14.776 7.588 1.00 0.00 C ATOM 777 CH2 TRP A 46 86.344 13.735 8.313 1.00 0.00 C ATOM 0 H TRP A 46 91.017 15.073 6.831 1.00 0.00 H new ATOM 0 HA TRP A 46 92.199 16.691 7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 46 91.352 16.825 10.465 1.00 0.00 H new ATOM 0 HB3 TRP A 46 90.314 17.271 9.126 1.00 0.00 H new ATOM 0 HD1 TRP A 46 90.777 14.614 11.791 1.00 0.00 H new ATOM 0 HE1 TRP A 46 88.768 12.982 11.764 1.00 0.00 H new ATOM 0 HE3 TRP A 46 88.583 16.173 7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 86.477 12.482 10.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 86.494 15.121 6.669 1.00 0.00 H new ATOM 0 HH2 TRP A 46 85.431 13.282 7.955 1.00 0.00 H new ATOM 788 N ASP A 47 93.783 14.419 8.914 1.00 0.00 N ATOM 789 CA ASP A 47 94.996 13.891 9.625 1.00 0.00 C ATOM 790 C ASP A 47 95.110 12.388 9.386 1.00 0.00 C ATOM 791 O ASP A 47 94.645 11.590 10.175 1.00 0.00 O ATOM 792 CB ASP A 47 94.894 14.128 11.136 1.00 0.00 C ATOM 793 CG ASP A 47 95.665 15.396 11.508 1.00 0.00 C ATOM 794 OD1 ASP A 47 95.955 16.172 10.612 1.00 0.00 O ATOM 795 OD2 ASP A 47 95.951 15.569 12.681 1.00 0.00 O ATOM 0 H ASP A 47 93.545 13.924 8.054 1.00 0.00 H new ATOM 0 HA ASP A 47 95.870 14.414 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 47 93.849 14.226 11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 47 95.298 13.272 11.677 1.00 0.00 H new ATOM 800 N VAL A 48 95.720 11.990 8.308 1.00 0.00 N ATOM 801 CA VAL A 48 95.853 10.540 8.033 1.00 0.00 C ATOM 802 C VAL A 48 97.254 10.255 7.490 1.00 0.00 C ATOM 803 O VAL A 48 97.418 9.675 6.435 1.00 0.00 O ATOM 804 CB VAL A 48 94.802 10.140 7.006 1.00 0.00 C ATOM 805 CG1 VAL A 48 94.612 8.623 7.028 1.00 0.00 C ATOM 806 CG2 VAL A 48 93.479 10.823 7.354 1.00 0.00 C ATOM 0 H VAL A 48 96.131 12.607 7.607 1.00 0.00 H new ATOM 0 HA VAL A 48 95.705 9.966 8.948 1.00 0.00 H new ATOM 0 HB VAL A 48 95.127 10.447 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.859 8.340 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 48 95.556 8.135 6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 48 94.285 8.312 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.721 10.542 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.159 10.510 8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.613 11.905 7.340 1.00 0.00 H new ATOM 816 N GLU A 49 98.266 10.663 8.208 1.00 0.00 N ATOM 817 CA GLU A 49 99.660 10.422 7.742 1.00 0.00 C ATOM 818 C GLU A 49 99.820 8.950 7.354 1.00 0.00 C ATOM 819 O GLU A 49 100.659 8.599 6.549 1.00 0.00 O ATOM 820 CB GLU A 49 100.637 10.768 8.868 1.00 0.00 C ATOM 821 CG GLU A 49 102.054 10.357 8.462 1.00 0.00 C ATOM 822 CD GLU A 49 103.053 10.879 9.496 1.00 0.00 C ATOM 823 OE1 GLU A 49 102.753 10.796 10.676 1.00 0.00 O ATOM 824 OE2 GLU A 49 104.101 11.354 9.091 1.00 0.00 O ATOM 0 H GLU A 49 98.186 11.154 9.099 1.00 0.00 H new ATOM 0 HA GLU A 49 99.870 11.048 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 49 100.603 11.837 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.347 10.255 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.123 9.272 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.292 10.757 7.476 1.00 0.00 H new ATOM 831 N LYS A 50 99.013 8.089 7.914 1.00 0.00 N ATOM 832 CA LYS A 50 99.111 6.643 7.569 1.00 0.00 C ATOM 833 C LYS A 50 98.794 6.468 6.091 1.00 0.00 C ATOM 834 O LYS A 50 99.528 5.847 5.349 1.00 0.00 O ATOM 835 CB LYS A 50 98.095 5.851 8.390 1.00 0.00 C ATOM 836 CG LYS A 50 98.477 5.901 9.872 1.00 0.00 C ATOM 837 CD LYS A 50 97.448 6.736 10.639 1.00 0.00 C ATOM 838 CE LYS A 50 97.736 6.652 12.141 1.00 0.00 C ATOM 839 NZ LYS A 50 97.062 5.450 12.709 1.00 0.00 N ATOM 0 H LYS A 50 98.291 8.325 8.595 1.00 0.00 H new ATOM 0 HA LYS A 50 100.116 6.282 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.097 6.265 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.063 4.817 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.519 4.892 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.471 6.334 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 97.487 7.774 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.442 6.373 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.811 6.595 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.380 7.552 12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.257 5.392 13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.036 5.523 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.422 4.595 12.239 1.00 0.00 H new ATOM 853 N ASP A 51 97.697 7.017 5.661 1.00 0.00 N ATOM 854 CA ASP A 51 97.314 6.897 4.232 1.00 0.00 C ATOM 855 C ASP A 51 97.300 8.292 3.605 1.00 0.00 C ATOM 856 O ASP A 51 96.519 8.581 2.721 1.00 0.00 O ATOM 857 CB ASP A 51 95.919 6.281 4.130 1.00 0.00 C ATOM 858 CG ASP A 51 95.784 5.147 5.149 1.00 0.00 C ATOM 859 OD1 ASP A 51 96.749 4.425 5.334 1.00 0.00 O ATOM 860 OD2 ASP A 51 94.717 5.021 5.727 1.00 0.00 O ATOM 0 H ASP A 51 97.046 7.546 6.241 1.00 0.00 H new ATOM 0 HA ASP A 51 98.029 6.262 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.160 7.041 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.751 5.900 3.123 1.00 0.00 H new ATOM 865 N ALA A 52 98.149 9.162 4.074 1.00 0.00 N ATOM 866 CA ALA A 52 98.185 10.550 3.534 1.00 0.00 C ATOM 867 C ALA A 52 98.939 10.620 2.192 1.00 0.00 C ATOM 868 O ALA A 52 98.495 11.305 1.291 1.00 0.00 O ATOM 869 CB ALA A 52 98.863 11.462 4.552 1.00 0.00 C ATOM 0 H ALA A 52 98.825 8.970 4.814 1.00 0.00 H new ATOM 0 HA ALA A 52 97.160 10.875 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 98.894 12.480 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 98.301 11.446 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.879 11.112 4.734 1.00 0.00 H new ATOM 875 N PRO A 53 100.051 9.928 2.080 1.00 0.00 N ATOM 876 CA PRO A 53 100.845 9.937 0.838 1.00 0.00 C ATOM 877 C PRO A 53 100.149 9.096 -0.234 1.00 0.00 C ATOM 878 O PRO A 53 100.497 9.134 -1.398 1.00 0.00 O ATOM 879 CB PRO A 53 102.190 9.338 1.256 1.00 0.00 C ATOM 880 CG PRO A 53 101.923 8.524 2.543 1.00 0.00 C ATOM 881 CD PRO A 53 100.616 9.074 3.149 1.00 0.00 C ATOM 0 HA PRO A 53 100.965 10.929 0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.593 8.700 0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.925 10.122 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.828 7.462 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.750 8.628 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.932 8.269 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.808 9.647 4.056 1.00 0.00 H new ATOM 889 N LEU A 54 99.147 8.359 0.154 1.00 0.00 N ATOM 890 CA LEU A 54 98.389 7.532 -0.828 1.00 0.00 C ATOM 891 C LEU A 54 97.217 8.368 -1.292 1.00 0.00 C ATOM 892 O LEU A 54 97.092 8.744 -2.440 1.00 0.00 O ATOM 893 CB LEU A 54 97.805 6.300 -0.137 1.00 0.00 C ATOM 894 CG LEU A 54 98.888 5.319 0.298 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.152 6.061 0.737 1.00 0.00 C ATOM 896 CD2 LEU A 54 98.333 4.526 1.470 1.00 0.00 C ATOM 0 H LEU A 54 98.817 8.293 1.117 1.00 0.00 H new ATOM 0 HA LEU A 54 99.046 7.227 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.229 6.612 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.113 5.799 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 54 99.156 4.667 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 54 100.910 5.340 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.532 6.656 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 54 99.916 6.717 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.081 3.810 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.083 5.206 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.436 3.992 1.156 1.00 0.00 H new ATOM 908 N PHE A 55 96.370 8.661 -0.353 1.00 0.00 N ATOM 909 CA PHE A 55 95.169 9.485 -0.601 1.00 0.00 C ATOM 910 C PHE A 55 95.479 10.562 -1.647 1.00 0.00 C ATOM 911 O PHE A 55 94.618 10.981 -2.391 1.00 0.00 O ATOM 912 CB PHE A 55 94.812 10.151 0.724 1.00 0.00 C ATOM 913 CG PHE A 55 93.838 9.299 1.498 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.773 8.672 0.846 1.00 0.00 C ATOM 915 CD2 PHE A 55 94.007 9.138 2.879 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.876 7.883 1.574 1.00 0.00 C ATOM 917 CE2 PHE A 55 93.112 8.351 3.607 1.00 0.00 C ATOM 918 CZ PHE A 55 92.045 7.722 2.955 1.00 0.00 C ATOM 0 H PHE A 55 96.468 8.349 0.613 1.00 0.00 H new ATOM 0 HA PHE A 55 94.347 8.873 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.715 10.308 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.377 11.133 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.642 8.796 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.831 9.623 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 55 91.053 7.398 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 55 93.243 8.228 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.352 7.113 3.517 1.00 0.00 H new ATOM 928 N ARG A 56 96.703 11.017 -1.708 1.00 0.00 N ATOM 929 CA ARG A 56 97.057 12.061 -2.712 1.00 0.00 C ATOM 930 C ARG A 56 97.290 11.384 -4.062 1.00 0.00 C ATOM 931 O ARG A 56 96.742 11.787 -5.069 1.00 0.00 O ATOM 932 CB ARG A 56 98.330 12.794 -2.269 1.00 0.00 C ATOM 933 CG ARG A 56 98.944 13.544 -3.459 1.00 0.00 C ATOM 934 CD ARG A 56 97.886 14.437 -4.116 1.00 0.00 C ATOM 935 NE ARG A 56 97.819 15.742 -3.399 1.00 0.00 N ATOM 936 CZ ARG A 56 97.175 16.749 -3.928 1.00 0.00 C ATOM 937 NH1 ARG A 56 96.585 16.617 -5.086 1.00 0.00 N ATOM 938 NH2 ARG A 56 97.121 17.890 -3.298 1.00 0.00 N ATOM 0 H ARG A 56 97.469 10.712 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 56 96.247 12.785 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.096 13.495 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 56 99.050 12.080 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 56 99.786 14.150 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 56 99.334 12.832 -4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.133 14.599 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 56 96.913 13.946 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 56 98.277 15.849 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 56 96.626 15.726 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 56 96.083 17.405 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 56 97.581 17.996 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 56 96.619 18.677 -3.710 1.00 0.00 H new ATOM 952 N ASN A 57 98.089 10.352 -4.095 1.00 0.00 N ATOM 953 CA ASN A 57 98.331 9.659 -5.387 1.00 0.00 C ATOM 954 C ASN A 57 96.977 9.424 -6.065 1.00 0.00 C ATOM 955 O ASN A 57 96.888 9.325 -7.270 1.00 0.00 O ATOM 956 CB ASN A 57 99.085 8.338 -5.135 1.00 0.00 C ATOM 957 CG ASN A 57 98.139 7.134 -5.196 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.549 6.862 -6.222 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.975 6.399 -4.134 1.00 0.00 N ATOM 0 H ASN A 57 98.580 9.963 -3.290 1.00 0.00 H new ATOM 0 HA ASN A 57 98.953 10.266 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.874 8.220 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.568 8.374 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.350 5.593 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.471 6.629 -3.273 1.00 0.00 H new ATOM 966 N TRP A 58 95.918 9.362 -5.294 1.00 0.00 N ATOM 967 CA TRP A 58 94.566 9.168 -5.894 1.00 0.00 C ATOM 968 C TRP A 58 94.397 10.184 -7.020 1.00 0.00 C ATOM 969 O TRP A 58 95.278 10.976 -7.284 1.00 0.00 O ATOM 970 CB TRP A 58 93.491 9.436 -4.837 1.00 0.00 C ATOM 971 CG TRP A 58 93.004 8.156 -4.243 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.707 7.782 -4.179 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.768 7.092 -3.610 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.626 6.553 -3.552 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.870 6.089 -3.182 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.138 6.899 -3.370 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.313 4.940 -2.538 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.586 5.739 -2.720 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.675 4.762 -2.304 1.00 0.00 C ATOM 0 H TRP A 58 95.934 9.438 -4.277 1.00 0.00 H new ATOM 0 HA TRP A 58 94.468 8.148 -6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.896 10.075 -4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.657 9.974 -5.288 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.870 8.351 -4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.754 6.052 -3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.850 7.647 -3.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.605 4.189 -2.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.642 5.599 -2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.027 3.872 -1.803 1.00 0.00 H new ATOM 990 N ALA A 59 93.272 10.191 -7.675 1.00 0.00 N ATOM 991 CA ALA A 59 93.074 11.183 -8.765 1.00 0.00 C ATOM 992 C ALA A 59 94.202 11.034 -9.788 1.00 0.00 C ATOM 993 O ALA A 59 94.103 10.279 -10.734 1.00 0.00 O ATOM 994 CB ALA A 59 93.112 12.592 -8.164 1.00 0.00 C ATOM 0 H ALA A 59 92.489 9.560 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 59 92.114 11.017 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.968 13.329 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.318 12.693 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.077 12.758 -7.685 1.00 0.00 H new ATOM 1000 N ILE A 60 95.276 11.749 -9.601 1.00 0.00 N ATOM 1001 CA ILE A 60 96.415 11.653 -10.553 1.00 0.00 C ATOM 1002 C ILE A 60 96.762 10.181 -10.803 1.00 0.00 C ATOM 1003 O ILE A 60 97.356 9.837 -11.806 1.00 0.00 O ATOM 1004 CB ILE A 60 97.626 12.367 -9.949 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.218 13.778 -9.518 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.739 12.454 -10.993 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.463 13.943 -8.019 1.00 0.00 C ATOM 0 H ILE A 60 95.413 12.398 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 60 96.141 12.119 -11.500 1.00 0.00 H new ATOM 0 HB ILE A 60 97.985 11.810 -9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.791 14.520 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 60 96.166 13.950 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.602 12.963 -10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.027 11.449 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.383 13.012 -11.859 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.173 14.948 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 60 96.871 13.210 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 60 98.520 13.789 -7.804 1.00 0.00 H new ATOM 1019 N HIS A 61 96.402 9.310 -9.898 1.00 0.00 N ATOM 1020 CA HIS A 61 96.719 7.863 -10.083 1.00 0.00 C ATOM 1021 C HIS A 61 95.569 7.168 -10.820 1.00 0.00 C ATOM 1022 O HIS A 61 95.590 7.024 -12.026 1.00 0.00 O ATOM 1023 CB HIS A 61 96.921 7.208 -8.711 1.00 0.00 C ATOM 1024 CG HIS A 61 96.878 5.709 -8.845 1.00 0.00 C ATOM 1025 ND1 HIS A 61 96.162 4.751 -8.171 1.00 0.00 N flip ATOM 1026 CD2 HIS A 61 97.643 5.026 -9.777 1.00 0.00 C flip ATOM 1027 CE1 HIS A 61 96.476 3.492 -8.675 1.00 0.00 C flip ATOM 1028 NE2 HIS A 61 97.373 3.714 -9.639 1.00 0.00 N flip ATOM 0 H HIS A 61 95.902 9.538 -9.039 1.00 0.00 H new ATOM 0 HA HIS A 61 97.631 7.766 -10.673 1.00 0.00 H new ATOM 0 HB2 HIS A 61 97.877 7.516 -8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.146 7.542 -8.022 1.00 0.00 H new ATOM 0 HD2 HIS A 61 98.330 5.466 -10.485 1.00 0.00 H new ATOM 0 HE1 HIS A 61 96.079 2.540 -8.355 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.801 2.979 -10.202 1.00 0.00 H new ATOM 1036 N THR A 62 94.575 6.727 -10.094 1.00 0.00 N ATOM 1037 CA THR A 62 93.421 6.027 -10.731 1.00 0.00 C ATOM 1038 C THR A 62 93.065 6.704 -12.057 1.00 0.00 C ATOM 1039 O THR A 62 92.893 6.053 -13.069 1.00 0.00 O ATOM 1040 CB THR A 62 92.214 6.075 -9.789 1.00 0.00 C ATOM 1041 OG1 THR A 62 91.844 7.428 -9.564 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.576 5.413 -8.457 1.00 0.00 C ATOM 0 H THR A 62 94.513 6.823 -9.080 1.00 0.00 H new ATOM 0 HA THR A 62 93.693 4.989 -10.924 1.00 0.00 H new ATOM 0 HB THR A 62 91.379 5.541 -10.241 1.00 0.00 H new ATOM 0 HG1 THR A 62 91.180 7.470 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.716 5.448 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.858 4.375 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.412 5.944 -8.002 1.00 0.00 H new ATOM 1050 N GLY A 63 92.956 8.003 -12.065 1.00 0.00 N ATOM 1051 CA GLY A 63 92.615 8.710 -13.331 1.00 0.00 C ATOM 1052 C GLY A 63 91.253 9.391 -13.191 1.00 0.00 C ATOM 1053 O GLY A 63 90.362 9.188 -13.991 1.00 0.00 O ATOM 0 H GLY A 63 93.088 8.605 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 63 93.380 9.451 -13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 63 92.595 8.002 -14.160 1.00 0.00 H new ATOM 1057 N LYS A 64 91.086 10.201 -12.184 1.00 0.00 N ATOM 1058 CA LYS A 64 89.782 10.897 -11.999 1.00 0.00 C ATOM 1059 C LYS A 64 90.028 12.397 -11.826 1.00 0.00 C ATOM 1060 O LYS A 64 89.113 13.162 -11.594 1.00 0.00 O ATOM 1061 CB LYS A 64 89.080 10.349 -10.754 1.00 0.00 C ATOM 1062 CG LYS A 64 88.055 9.289 -11.167 1.00 0.00 C ATOM 1063 CD LYS A 64 88.228 8.044 -10.294 1.00 0.00 C ATOM 1064 CE LYS A 64 87.688 6.819 -11.033 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.296 6.536 -10.580 1.00 0.00 N ATOM 0 H LYS A 64 91.795 10.411 -11.481 1.00 0.00 H new ATOM 0 HA LYS A 64 89.153 10.728 -12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 64 89.812 9.916 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.585 11.158 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 64 87.045 9.684 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 64 88.187 9.031 -12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 64 89.281 7.900 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.699 8.174 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 64 87.703 6.995 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.326 5.956 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 85.930 5.703 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.295 6.351 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 85.691 7.357 -10.784 1.00 0.00 H new ATOM 1079 N HIS A 65 91.256 12.827 -11.933 1.00 0.00 N ATOM 1080 CA HIS A 65 91.547 14.278 -11.768 1.00 0.00 C ATOM 1081 C HIS A 65 92.998 14.566 -12.165 1.00 0.00 C ATOM 1082 O HIS A 65 93.810 13.672 -12.298 1.00 0.00 O ATOM 1083 CB HIS A 65 91.322 14.675 -10.302 1.00 0.00 C ATOM 1084 CG HIS A 65 92.048 15.960 -9.996 1.00 0.00 C ATOM 1085 ND1 HIS A 65 93.342 16.210 -9.612 1.00 0.00 N flip ATOM 1086 CD2 HIS A 65 91.433 17.200 -10.082 1.00 0.00 C flip ATOM 1087 CE1 HIS A 65 93.531 17.580 -9.462 1.00 0.00 C flip ATOM 1088 NE2 HIS A 65 92.350 18.130 -9.757 1.00 0.00 N flip ATOM 0 H HIS A 65 92.066 12.239 -12.127 1.00 0.00 H new ATOM 0 HA HIS A 65 90.883 14.857 -12.410 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.256 14.796 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.677 13.882 -9.644 1.00 0.00 H new ATOM 0 HD1 HIS A 65 94.057 15.499 -9.460 1.00 0.00 H new ATOM 0 HD2 HIS A 65 90.406 17.386 -10.359 1.00 0.00 H new ATOM 0 HE1 HIS A 65 94.437 18.089 -9.170 1.00 0.00 H new ATOM 1096 N GLN A 66 93.321 15.816 -12.342 1.00 0.00 N ATOM 1097 CA GLN A 66 94.710 16.194 -12.717 1.00 0.00 C ATOM 1098 C GLN A 66 94.979 17.622 -12.226 1.00 0.00 C ATOM 1099 O GLN A 66 94.216 18.522 -12.516 1.00 0.00 O ATOM 1100 CB GLN A 66 94.861 16.143 -14.241 1.00 0.00 C ATOM 1101 CG GLN A 66 95.732 14.946 -14.630 1.00 0.00 C ATOM 1102 CD GLN A 66 96.055 15.013 -16.124 1.00 0.00 C ATOM 1103 OE1 GLN A 66 97.208 14.997 -16.508 1.00 0.00 O ATOM 1104 NE2 GLN A 66 95.080 15.087 -16.988 1.00 0.00 N ATOM 0 H GLN A 66 92.675 16.599 -12.242 1.00 0.00 H new ATOM 0 HA GLN A 66 95.419 15.502 -12.263 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.881 16.061 -14.711 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.312 17.067 -14.603 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.653 14.949 -14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 66 95.213 14.015 -14.401 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.112 15.100 -16.665 1.00 0.00 H new ATOM 0 HE22 GLN A 66 95.285 15.131 -17.986 1.00 0.00 H new ATOM 1113 N PRO A 67 96.051 17.795 -11.493 1.00 0.00 N ATOM 1114 CA PRO A 67 96.426 19.111 -10.950 1.00 0.00 C ATOM 1115 C PRO A 67 97.012 19.991 -12.057 1.00 0.00 C ATOM 1116 O PRO A 67 97.736 19.528 -12.915 1.00 0.00 O ATOM 1117 CB PRO A 67 97.474 18.779 -9.884 1.00 0.00 C ATOM 1118 CG PRO A 67 98.042 17.389 -10.253 1.00 0.00 C ATOM 1119 CD PRO A 67 96.987 16.707 -11.144 1.00 0.00 C ATOM 0 HA PRO A 67 95.583 19.667 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.264 19.530 -9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.027 18.765 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.991 17.485 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.234 16.798 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.440 16.270 -12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.480 15.900 -10.615 1.00 0.00 H new ATOM 1127 N GLY A 68 96.692 21.256 -12.051 1.00 0.00 N ATOM 1128 CA GLY A 68 97.218 22.162 -13.109 1.00 0.00 C ATOM 1129 C GLY A 68 96.221 22.216 -14.269 1.00 0.00 C ATOM 1130 O GLY A 68 96.493 22.781 -15.310 1.00 0.00 O ATOM 0 H GLY A 68 96.089 21.701 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.376 23.161 -12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.185 21.805 -13.462 1.00 0.00 H new ATOM 1134 N ILE A 69 95.066 21.629 -14.098 1.00 0.00 N ATOM 1135 CA ILE A 69 94.050 21.642 -15.187 1.00 0.00 C ATOM 1136 C ILE A 69 92.660 21.863 -14.578 1.00 0.00 C ATOM 1137 O ILE A 69 91.885 22.668 -15.055 1.00 0.00 O ATOM 1138 CB ILE A 69 94.086 20.301 -15.930 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.300 20.269 -16.861 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.810 20.128 -16.758 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.121 19.007 -16.590 1.00 0.00 C ATOM 0 H ILE A 69 94.783 21.140 -13.248 1.00 0.00 H new ATOM 0 HA ILE A 69 94.269 22.447 -15.888 1.00 0.00 H new ATOM 0 HB ILE A 69 94.156 19.492 -15.203 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.974 20.287 -17.901 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.915 21.156 -16.704 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.843 19.173 -17.283 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.943 20.149 -16.098 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.734 20.938 -17.483 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.985 18.986 -17.254 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.459 19.009 -15.554 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.504 18.126 -16.769 1.00 0.00 H new ATOM 1153 N ASP A 70 92.340 21.154 -13.529 1.00 0.00 N ATOM 1154 CA ASP A 70 91.001 21.325 -12.894 1.00 0.00 C ATOM 1155 C ASP A 70 91.168 21.488 -11.381 1.00 0.00 C ATOM 1156 O ASP A 70 92.270 21.554 -10.872 1.00 0.00 O ATOM 1157 CB ASP A 70 90.139 20.094 -13.184 1.00 0.00 C ATOM 1158 CG ASP A 70 88.749 20.541 -13.638 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.077 21.201 -12.863 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.380 20.217 -14.755 1.00 0.00 O ATOM 0 H ASP A 70 92.947 20.465 -13.085 1.00 0.00 H new ATOM 0 HA ASP A 70 90.517 22.212 -13.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.607 19.483 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.060 19.474 -12.291 1.00 0.00 H new ATOM 1165 N LYS A 71 90.082 21.553 -10.657 1.00 0.00 N ATOM 1166 CA LYS A 71 90.180 21.713 -9.177 1.00 0.00 C ATOM 1167 C LYS A 71 90.275 20.331 -8.518 1.00 0.00 C ATOM 1168 O LYS A 71 89.664 19.387 -8.976 1.00 0.00 O ATOM 1169 CB LYS A 71 88.937 22.440 -8.657 1.00 0.00 C ATOM 1170 CG LYS A 71 87.716 21.530 -8.804 1.00 0.00 C ATOM 1171 CD LYS A 71 86.468 22.263 -8.306 1.00 0.00 C ATOM 1172 CE LYS A 71 86.754 22.894 -6.943 1.00 0.00 C ATOM 1173 NZ LYS A 71 85.500 23.485 -6.395 1.00 0.00 N ATOM 0 H LYS A 71 89.133 21.502 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 71 91.069 22.294 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 71 89.075 22.716 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.784 23.365 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 71 87.589 21.241 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 71 87.863 20.612 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 71 86.177 23.033 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 71 85.632 21.568 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 71 87.144 22.142 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.519 23.664 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.695 23.914 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 85.146 24.214 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.783 22.739 -6.288 1.00 0.00 H new ATOM 1187 N PRO A 72 91.043 20.256 -7.460 1.00 0.00 N ATOM 1188 CA PRO A 72 91.246 19.001 -6.712 1.00 0.00 C ATOM 1189 C PRO A 72 90.056 18.715 -5.789 1.00 0.00 C ATOM 1190 O PRO A 72 89.426 19.615 -5.271 1.00 0.00 O ATOM 1191 CB PRO A 72 92.513 19.274 -5.896 1.00 0.00 C ATOM 1192 CG PRO A 72 92.633 20.812 -5.776 1.00 0.00 C ATOM 1193 CD PRO A 72 91.783 21.412 -6.913 1.00 0.00 C ATOM 0 HA PRO A 72 91.336 18.130 -7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.448 18.812 -4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.390 18.853 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.276 21.153 -4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.673 21.127 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.104 22.179 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.408 21.881 -7.673 1.00 0.00 H new ATOM 1201 N ASP A 73 89.753 17.462 -5.576 1.00 0.00 N ATOM 1202 CA ASP A 73 88.615 17.099 -4.684 1.00 0.00 C ATOM 1203 C ASP A 73 88.961 15.800 -3.943 1.00 0.00 C ATOM 1204 O ASP A 73 88.848 14.726 -4.500 1.00 0.00 O ATOM 1205 CB ASP A 73 87.354 16.888 -5.524 1.00 0.00 C ATOM 1206 CG ASP A 73 86.416 18.083 -5.343 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.084 18.384 -4.209 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.047 18.677 -6.343 1.00 0.00 O ATOM 0 H ASP A 73 90.249 16.670 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 73 88.437 17.899 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.619 16.776 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.852 15.969 -5.222 1.00 0.00 H new ATOM 1213 N PRO A 74 89.387 15.937 -2.711 1.00 0.00 N ATOM 1214 CA PRO A 74 89.777 14.787 -1.872 1.00 0.00 C ATOM 1215 C PRO A 74 88.545 14.057 -1.322 1.00 0.00 C ATOM 1216 O PRO A 74 88.635 12.934 -0.866 1.00 0.00 O ATOM 1217 CB PRO A 74 90.577 15.430 -0.736 1.00 0.00 C ATOM 1218 CG PRO A 74 90.126 16.908 -0.666 1.00 0.00 C ATOM 1219 CD PRO A 74 89.520 17.247 -2.040 1.00 0.00 C ATOM 0 HA PRO A 74 90.342 14.036 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.387 14.921 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.648 15.359 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.393 17.052 0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.970 17.561 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.554 17.742 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.165 17.920 -2.605 1.00 0.00 H new ATOM 1227 N LYS A 75 87.400 14.680 -1.352 1.00 0.00 N ATOM 1228 CA LYS A 75 86.179 14.011 -0.819 1.00 0.00 C ATOM 1229 C LYS A 75 85.964 12.674 -1.535 1.00 0.00 C ATOM 1230 O LYS A 75 85.881 11.633 -0.914 1.00 0.00 O ATOM 1231 CB LYS A 75 84.959 14.907 -1.044 1.00 0.00 C ATOM 1232 CG LYS A 75 83.776 14.366 -0.238 1.00 0.00 C ATOM 1233 CD LYS A 75 82.788 13.671 -1.178 1.00 0.00 C ATOM 1234 CE LYS A 75 81.662 14.640 -1.544 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.468 14.641 -3.022 1.00 0.00 N ATOM 0 H LYS A 75 87.256 15.620 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 75 86.309 13.834 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.184 15.929 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.707 14.938 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.129 13.665 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.280 15.181 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.301 13.337 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.376 12.783 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 75 80.738 14.346 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.905 15.644 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 80.703 15.300 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.348 14.941 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.218 13.683 -3.340 1.00 0.00 H new ATOM 1249 N THR A 76 85.865 12.695 -2.837 1.00 0.00 N ATOM 1250 CA THR A 76 85.646 11.427 -3.591 1.00 0.00 C ATOM 1251 C THR A 76 86.904 10.556 -3.527 1.00 0.00 C ATOM 1252 O THR A 76 86.829 9.344 -3.504 1.00 0.00 O ATOM 1253 CB THR A 76 85.326 11.754 -5.052 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.358 12.791 -5.102 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.777 10.508 -5.749 1.00 0.00 C ATOM 0 H THR A 76 85.926 13.536 -3.411 1.00 0.00 H new ATOM 0 HA THR A 76 84.813 10.884 -3.145 1.00 0.00 H new ATOM 0 HB THR A 76 86.235 12.079 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.153 13.003 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.550 10.743 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.521 9.712 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.868 10.179 -5.245 1.00 0.00 H new ATOM 1263 N TRP A 77 88.060 11.162 -3.505 1.00 0.00 N ATOM 1264 CA TRP A 77 89.318 10.363 -3.450 1.00 0.00 C ATOM 1265 C TRP A 77 89.243 9.351 -2.303 1.00 0.00 C ATOM 1266 O TRP A 77 89.613 8.203 -2.451 1.00 0.00 O ATOM 1267 CB TRP A 77 90.507 11.297 -3.216 1.00 0.00 C ATOM 1268 CG TRP A 77 90.633 12.251 -4.360 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.934 12.179 -5.516 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.500 13.416 -4.476 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.317 13.227 -6.334 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.280 14.017 -5.737 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.447 14.003 -3.617 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 91.975 15.160 -6.133 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.148 15.154 -4.013 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.912 15.731 -5.268 1.00 0.00 C ATOM 0 H TRP A 77 88.188 12.174 -3.523 1.00 0.00 H new ATOM 0 HA TRP A 77 89.444 9.833 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.372 11.847 -2.285 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.423 10.716 -3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.198 11.427 -5.760 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.935 13.396 -7.265 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.636 13.566 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.790 15.600 -7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.873 15.597 -3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.454 16.616 -5.566 1.00 0.00 H new ATOM 1287 N LYS A 78 88.778 9.769 -1.158 1.00 0.00 N ATOM 1288 CA LYS A 78 88.692 8.833 0.002 1.00 0.00 C ATOM 1289 C LYS A 78 87.677 7.726 -0.292 1.00 0.00 C ATOM 1290 O LYS A 78 87.805 6.615 0.183 1.00 0.00 O ATOM 1291 CB LYS A 78 88.250 9.605 1.246 1.00 0.00 C ATOM 1292 CG LYS A 78 88.084 8.632 2.415 1.00 0.00 C ATOM 1293 CD LYS A 78 89.290 8.747 3.350 1.00 0.00 C ATOM 1294 CE LYS A 78 88.979 9.748 4.464 1.00 0.00 C ATOM 1295 NZ LYS A 78 89.858 10.942 4.318 1.00 0.00 N ATOM 0 H LYS A 78 88.453 10.718 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 78 89.671 8.386 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.988 10.368 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.310 10.122 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.166 8.854 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.995 7.611 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.526 7.773 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.168 9.071 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.932 10.046 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 78 89.136 9.285 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 89.442 11.744 4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.798 10.731 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 89.948 11.186 3.311 1.00 0.00 H new ATOM 1309 N ALA A 79 86.667 8.017 -1.064 1.00 0.00 N ATOM 1310 CA ALA A 79 85.646 6.977 -1.375 1.00 0.00 C ATOM 1311 C ALA A 79 86.259 5.904 -2.279 1.00 0.00 C ATOM 1312 O ALA A 79 85.816 4.772 -2.301 1.00 0.00 O ATOM 1313 CB ALA A 79 84.458 7.626 -2.088 1.00 0.00 C ATOM 0 H ALA A 79 86.504 8.928 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 79 85.308 6.516 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.711 6.866 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 79 84.017 8.386 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.798 8.089 -3.014 1.00 0.00 H new ATOM 1319 N ASN A 80 87.270 6.248 -3.028 1.00 0.00 N ATOM 1320 CA ASN A 80 87.902 5.246 -3.933 1.00 0.00 C ATOM 1321 C ASN A 80 88.605 4.167 -3.104 1.00 0.00 C ATOM 1322 O ASN A 80 88.387 2.989 -3.297 1.00 0.00 O ATOM 1323 CB ASN A 80 88.923 5.944 -4.833 1.00 0.00 C ATOM 1324 CG ASN A 80 88.347 6.082 -6.243 1.00 0.00 C ATOM 1325 OD1 ASN A 80 89.021 5.813 -7.217 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.117 6.493 -6.394 1.00 0.00 N ATOM 0 H ASN A 80 87.686 7.179 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 80 87.131 4.781 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.167 6.927 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.850 5.372 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.722 6.588 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.551 6.719 -5.576 1.00 0.00 H new ATOM 1333 N PHE A 81 89.450 4.557 -2.189 1.00 0.00 N ATOM 1334 CA PHE A 81 90.166 3.547 -1.358 1.00 0.00 C ATOM 1335 C PHE A 81 89.175 2.497 -0.849 1.00 0.00 C ATOM 1336 O PHE A 81 89.430 1.311 -0.907 1.00 0.00 O ATOM 1337 CB PHE A 81 90.828 4.240 -0.165 1.00 0.00 C ATOM 1338 CG PHE A 81 92.226 3.697 0.018 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.492 2.348 -0.243 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.256 4.544 0.443 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.788 1.845 -0.078 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.552 4.042 0.607 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.819 2.692 0.347 1.00 0.00 C ATOM 0 H PHE A 81 89.675 5.530 -1.981 1.00 0.00 H new ATOM 0 HA PHE A 81 90.928 3.060 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.863 5.317 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.240 4.074 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.697 1.695 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.051 5.585 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.993 0.804 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.347 4.696 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.819 2.305 0.474 1.00 0.00 H new ATOM 1353 N ARG A 82 88.050 2.921 -0.346 1.00 0.00 N ATOM 1354 CA ARG A 82 87.053 1.941 0.169 1.00 0.00 C ATOM 1355 C ARG A 82 86.702 0.937 -0.931 1.00 0.00 C ATOM 1356 O ARG A 82 86.621 -0.252 -0.692 1.00 0.00 O ATOM 1357 CB ARG A 82 85.789 2.681 0.612 1.00 0.00 C ATOM 1358 CG ARG A 82 86.158 3.735 1.659 1.00 0.00 C ATOM 1359 CD ARG A 82 86.848 3.056 2.844 1.00 0.00 C ATOM 1360 NE ARG A 82 86.838 3.971 4.020 1.00 0.00 N ATOM 1361 CZ ARG A 82 85.711 4.272 4.608 1.00 0.00 C ATOM 1362 NH1 ARG A 82 84.587 3.775 4.166 1.00 0.00 N ATOM 1363 NH2 ARG A 82 85.709 5.064 5.645 1.00 0.00 N ATOM 0 H ARG A 82 87.778 3.901 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 82 87.477 1.408 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.313 3.156 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.068 1.976 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.818 4.484 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.263 4.257 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 82 86.337 2.125 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 82 87.874 2.797 2.581 1.00 0.00 H new ATOM 0 HE ARG A 82 87.713 4.363 4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.588 3.150 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.708 4.012 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 82 86.587 5.447 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 82 84.830 5.300 6.105 1.00 0.00 H new ATOM 1377 N CYS A 83 86.495 1.399 -2.135 1.00 0.00 N ATOM 1378 CA CYS A 83 86.155 0.458 -3.239 1.00 0.00 C ATOM 1379 C CYS A 83 87.336 -0.482 -3.475 1.00 0.00 C ATOM 1380 O CYS A 83 87.167 -1.640 -3.803 1.00 0.00 O ATOM 1381 CB CYS A 83 85.865 1.242 -4.520 1.00 0.00 C ATOM 1382 SG CYS A 83 84.206 1.961 -4.429 1.00 0.00 S ATOM 0 H CYS A 83 86.546 2.383 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 83 85.271 -0.118 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.607 2.029 -4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.940 0.584 -5.386 1.00 0.00 H new ATOM 0 HG CYS A 83 83.962 2.629 -5.518 1.00 0.00 H new ATOM 1388 N ALA A 84 88.534 0.008 -3.304 1.00 0.00 N ATOM 1389 CA ALA A 84 89.729 -0.854 -3.509 1.00 0.00 C ATOM 1390 C ALA A 84 89.551 -2.146 -2.722 1.00 0.00 C ATOM 1391 O ALA A 84 90.143 -3.159 -3.032 1.00 0.00 O ATOM 1392 CB ALA A 84 90.978 -0.116 -3.023 1.00 0.00 C ATOM 0 H ALA A 84 88.735 0.970 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 84 89.842 -1.087 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.854 -0.747 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.096 0.809 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.874 0.116 -1.963 1.00 0.00 H new ATOM 1398 N MET A 85 88.733 -2.124 -1.710 1.00 0.00 N ATOM 1399 CA MET A 85 88.515 -3.359 -0.917 1.00 0.00 C ATOM 1400 C MET A 85 87.347 -4.137 -1.520 1.00 0.00 C ATOM 1401 O MET A 85 87.337 -5.352 -1.535 1.00 0.00 O ATOM 1402 CB MET A 85 88.220 -2.989 0.537 1.00 0.00 C ATOM 1403 CG MET A 85 89.311 -2.042 1.054 1.00 0.00 C ATOM 1404 SD MET A 85 90.945 -2.620 0.515 1.00 0.00 S ATOM 1405 CE MET A 85 91.634 -0.994 0.114 1.00 0.00 C ATOM 0 H MET A 85 88.208 -1.306 -1.399 1.00 0.00 H new ATOM 0 HA MET A 85 89.409 -3.982 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.243 -2.511 0.611 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.182 -3.888 1.152 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.133 -1.033 0.683 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.275 -1.993 2.142 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.150 -1.044 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.828 -0.262 0.054 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.338 -0.696 0.891 1.00 0.00 H new ATOM 1415 N ASN A 86 86.369 -3.448 -2.036 1.00 0.00 N ATOM 1416 CA ASN A 86 85.217 -4.157 -2.654 1.00 0.00 C ATOM 1417 C ASN A 86 85.636 -4.678 -4.038 1.00 0.00 C ATOM 1418 O ASN A 86 84.853 -5.276 -4.750 1.00 0.00 O ATOM 1419 CB ASN A 86 84.020 -3.192 -2.772 1.00 0.00 C ATOM 1420 CG ASN A 86 83.976 -2.542 -4.162 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.456 -1.442 -4.348 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.416 -3.184 -5.150 1.00 0.00 N ATOM 0 H ASN A 86 86.318 -2.429 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 86 84.917 -5.001 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.092 -3.733 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.094 -2.419 -2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.382 -2.762 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.013 -4.108 -4.994 1.00 0.00 H new ATOM 1429 N SER A 87 86.866 -4.452 -4.422 1.00 0.00 N ATOM 1430 CA SER A 87 87.333 -4.928 -5.753 1.00 0.00 C ATOM 1431 C SER A 87 88.119 -6.218 -5.578 1.00 0.00 C ATOM 1432 O SER A 87 87.969 -6.891 -4.585 1.00 0.00 O ATOM 1433 CB SER A 87 88.218 -3.858 -6.397 1.00 0.00 C ATOM 1434 OG SER A 87 88.269 -4.072 -7.801 1.00 0.00 O ATOM 0 H SER A 87 87.566 -3.958 -3.869 1.00 0.00 H new ATOM 0 HA SER A 87 86.475 -5.115 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.822 -2.865 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.222 -3.898 -5.975 1.00 0.00 H new ATOM 0 HG SER A 87 88.834 -3.387 -8.216 1.00 0.00 H new ATOM 1440 N LEU A 88 88.951 -6.552 -6.538 1.00 0.00 N ATOM 1441 CA LEU A 88 89.773 -7.806 -6.463 1.00 0.00 C ATOM 1442 C LEU A 88 89.011 -8.900 -5.685 1.00 0.00 C ATOM 1443 O LEU A 88 88.921 -8.856 -4.473 1.00 0.00 O ATOM 1444 CB LEU A 88 91.108 -7.503 -5.764 1.00 0.00 C ATOM 1445 CG LEU A 88 91.264 -5.991 -5.530 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.540 -5.580 -4.244 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.747 -5.647 -5.404 1.00 0.00 C ATOM 0 H LEU A 88 89.098 -6.001 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 88 89.965 -8.166 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 88 91.154 -8.031 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.935 -7.870 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 88 90.829 -5.455 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.657 -4.508 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.480 -5.821 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.967 -6.119 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.859 -4.576 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.177 -6.191 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 88 93.265 -5.928 -6.321 1.00 0.00 H new ATOM 1459 N PRO A 89 88.475 -9.856 -6.409 1.00 0.00 N ATOM 1460 CA PRO A 89 87.687 -10.963 -5.817 1.00 0.00 C ATOM 1461 C PRO A 89 88.553 -11.971 -5.046 1.00 0.00 C ATOM 1462 O PRO A 89 88.209 -13.131 -4.937 1.00 0.00 O ATOM 1463 CB PRO A 89 87.025 -11.622 -7.031 1.00 0.00 C ATOM 1464 CG PRO A 89 87.878 -11.233 -8.258 1.00 0.00 C ATOM 1465 CD PRO A 89 88.617 -9.936 -7.878 1.00 0.00 C ATOM 0 HA PRO A 89 86.975 -10.599 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.987 -12.705 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.997 -11.278 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 89 88.585 -12.025 -8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 89 87.250 -11.080 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 89 89.665 -9.973 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 89 88.177 -9.068 -8.369 1.00 0.00 H new ATOM 1473 N ASP A 90 89.654 -11.549 -4.490 1.00 0.00 N ATOM 1474 CA ASP A 90 90.499 -12.488 -3.713 1.00 0.00 C ATOM 1475 C ASP A 90 90.921 -11.813 -2.403 1.00 0.00 C ATOM 1476 O ASP A 90 91.649 -12.380 -1.614 1.00 0.00 O ATOM 1477 CB ASP A 90 91.743 -12.852 -4.529 1.00 0.00 C ATOM 1478 CG ASP A 90 91.345 -13.080 -5.988 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.246 -13.561 -6.214 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.146 -12.771 -6.855 1.00 0.00 O ATOM 0 H ASP A 90 90.003 -10.592 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 90 89.937 -13.396 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.481 -12.053 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.208 -13.750 -4.123 1.00 0.00 H new ATOM 1485 N ILE A 91 90.476 -10.601 -2.163 1.00 0.00 N ATOM 1486 CA ILE A 91 90.873 -9.901 -0.906 1.00 0.00 C ATOM 1487 C ILE A 91 89.941 -10.305 0.244 1.00 0.00 C ATOM 1488 O ILE A 91 88.762 -10.529 0.057 1.00 0.00 O ATOM 1489 CB ILE A 91 90.836 -8.368 -1.117 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.570 -7.748 -0.517 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.856 -8.031 -2.603 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.622 -6.233 -0.721 1.00 0.00 C ATOM 0 H ILE A 91 89.860 -10.072 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 91 91.890 -10.194 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 91 91.716 -7.962 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.683 -8.163 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.500 -7.984 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.829 -6.949 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.766 -8.428 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.987 -8.475 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.726 -5.778 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.504 -5.829 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.673 -6.011 -1.787 1.00 0.00 H new ATOM 1504 N GLU A 92 90.469 -10.383 1.436 1.00 0.00 N ATOM 1505 CA GLU A 92 89.627 -10.755 2.607 1.00 0.00 C ATOM 1506 C GLU A 92 89.920 -9.797 3.762 1.00 0.00 C ATOM 1507 O GLU A 92 90.845 -9.991 4.526 1.00 0.00 O ATOM 1508 CB GLU A 92 89.948 -12.188 3.036 1.00 0.00 C ATOM 1509 CG GLU A 92 88.653 -12.915 3.406 1.00 0.00 C ATOM 1510 CD GLU A 92 88.040 -13.541 2.153 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.426 -13.143 1.066 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.195 -14.408 2.301 1.00 0.00 O ATOM 0 H GLU A 92 91.450 -10.204 1.649 1.00 0.00 H new ATOM 0 HA GLU A 92 88.574 -10.689 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.455 -12.715 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.628 -12.180 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.857 -13.687 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 92 87.948 -12.217 3.858 1.00 0.00 H new ATOM 1519 N GLU A 93 89.139 -8.760 3.892 1.00 0.00 N ATOM 1520 CA GLU A 93 89.370 -7.781 4.990 1.00 0.00 C ATOM 1521 C GLU A 93 89.336 -8.496 6.340 1.00 0.00 C ATOM 1522 O GLU A 93 88.429 -9.248 6.637 1.00 0.00 O ATOM 1523 CB GLU A 93 88.279 -6.713 4.957 1.00 0.00 C ATOM 1524 CG GLU A 93 86.905 -7.382 5.023 1.00 0.00 C ATOM 1525 CD GLU A 93 85.931 -6.636 4.110 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.897 -6.947 2.931 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.234 -5.765 4.606 1.00 0.00 O ATOM 0 H GLU A 93 88.349 -8.548 3.283 1.00 0.00 H new ATOM 0 HA GLU A 93 90.346 -7.315 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.402 -6.027 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.363 -6.121 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.981 -8.425 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.535 -7.377 6.048 1.00 0.00 H new ATOM 1534 N VAL A 94 90.320 -8.261 7.161 1.00 0.00 N ATOM 1535 CA VAL A 94 90.358 -8.916 8.497 1.00 0.00 C ATOM 1536 C VAL A 94 90.861 -7.908 9.532 1.00 0.00 C ATOM 1537 O VAL A 94 92.043 -7.818 9.798 1.00 0.00 O ATOM 1538 CB VAL A 94 91.310 -10.113 8.454 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.301 -10.820 9.810 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.860 -11.093 7.367 1.00 0.00 C ATOM 0 H VAL A 94 91.104 -7.640 6.963 1.00 0.00 H new ATOM 0 HA VAL A 94 89.359 -9.258 8.766 1.00 0.00 H new ATOM 0 HB VAL A 94 92.318 -9.763 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.979 -11.673 9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.626 -10.125 10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.292 -11.166 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.541 -11.944 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.851 -11.442 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.867 -10.591 6.399 1.00 0.00 H new ATOM 1550 N LYS A 95 89.977 -7.143 10.116 1.00 0.00 N ATOM 1551 CA LYS A 95 90.412 -6.135 11.130 1.00 0.00 C ATOM 1552 C LYS A 95 90.532 -6.781 12.510 1.00 0.00 C ATOM 1553 O LYS A 95 90.424 -6.126 13.527 1.00 0.00 O ATOM 1554 CB LYS A 95 89.381 -5.014 11.199 1.00 0.00 C ATOM 1555 CG LYS A 95 88.048 -5.601 11.664 1.00 0.00 C ATOM 1556 CD LYS A 95 87.228 -4.521 12.372 1.00 0.00 C ATOM 1557 CE LYS A 95 86.898 -4.983 13.793 1.00 0.00 C ATOM 1558 NZ LYS A 95 85.481 -4.645 14.112 1.00 0.00 N ATOM 0 H LYS A 95 88.973 -7.172 9.936 1.00 0.00 H new ATOM 0 HA LYS A 95 91.384 -5.739 10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.713 -4.238 11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.267 -4.545 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.494 -5.991 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 95 88.224 -6.439 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.787 -3.586 12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 95 86.309 -4.325 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 95 87.055 -6.058 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.567 -4.502 14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.258 -4.960 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 85.346 -3.616 14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.850 -5.123 13.438 1.00 0.00 H new ATOM 1572 N ASP A 96 90.758 -8.055 12.551 1.00 0.00 N ATOM 1573 CA ASP A 96 90.890 -8.750 13.861 1.00 0.00 C ATOM 1574 C ASP A 96 89.594 -8.589 14.657 1.00 0.00 C ATOM 1575 O ASP A 96 88.874 -7.623 14.501 1.00 0.00 O ATOM 1576 CB ASP A 96 92.051 -8.139 14.648 1.00 0.00 C ATOM 1577 CG ASP A 96 93.378 -8.572 14.024 1.00 0.00 C ATOM 1578 OD1 ASP A 96 93.489 -9.732 13.661 1.00 0.00 O ATOM 1579 OD2 ASP A 96 94.263 -7.738 13.920 1.00 0.00 O ATOM 0 H ASP A 96 90.859 -8.654 11.731 1.00 0.00 H new ATOM 0 HA ASP A 96 91.083 -9.809 13.692 1.00 0.00 H new ATOM 0 HB2 ASP A 96 91.974 -7.052 14.645 1.00 0.00 H new ATOM 0 HB3 ASP A 96 92.006 -8.458 15.689 1.00 0.00 H new ATOM 1584 N ARG A 97 89.291 -9.529 15.508 1.00 0.00 N ATOM 1585 CA ARG A 97 88.041 -9.433 16.312 1.00 0.00 C ATOM 1586 C ARG A 97 88.393 -9.359 17.799 1.00 0.00 C ATOM 1587 O ARG A 97 88.352 -8.308 18.407 1.00 0.00 O ATOM 1588 CB ARG A 97 87.181 -10.672 16.061 1.00 0.00 C ATOM 1589 CG ARG A 97 86.397 -10.498 14.760 1.00 0.00 C ATOM 1590 CD ARG A 97 87.262 -10.929 13.572 1.00 0.00 C ATOM 1591 NE ARG A 97 86.528 -11.944 12.763 1.00 0.00 N ATOM 1592 CZ ARG A 97 86.522 -13.200 13.125 1.00 0.00 C ATOM 1593 NH1 ARG A 97 87.160 -13.580 14.199 1.00 0.00 N ATOM 1594 NH2 ARG A 97 85.880 -14.081 12.407 1.00 0.00 N ATOM 0 H ARG A 97 89.856 -10.361 15.682 1.00 0.00 H new ATOM 0 HA ARG A 97 87.492 -8.537 16.022 1.00 0.00 H new ATOM 0 HB2 ARG A 97 87.812 -11.559 16.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 86.494 -10.825 16.893 1.00 0.00 H new ATOM 0 HG2 ARG A 97 85.484 -11.093 14.792 1.00 0.00 H new ATOM 0 HG3 ARG A 97 86.095 -9.457 14.643 1.00 0.00 H new ATOM 0 HD2 ARG A 97 87.507 -10.065 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 97 88.205 -11.345 13.927 1.00 0.00 H new ATOM 0 HE ARG A 97 86.028 -11.656 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 97 87.667 -12.895 14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 97 87.152 -14.561 14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 97 85.384 -13.789 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 97 85.874 -15.062 12.688 1.00 0.00 H new ATOM 1608 N SER A 98 88.733 -10.471 18.388 1.00 0.00 N ATOM 1609 CA SER A 98 89.082 -10.470 19.837 1.00 0.00 C ATOM 1610 C SER A 98 90.277 -11.389 20.079 1.00 0.00 C ATOM 1611 O SER A 98 90.296 -12.164 21.015 1.00 0.00 O ATOM 1612 CB SER A 98 87.893 -10.979 20.648 1.00 0.00 C ATOM 1613 OG SER A 98 86.966 -9.918 20.836 1.00 0.00 O ATOM 0 H SER A 98 88.785 -11.381 17.929 1.00 0.00 H new ATOM 0 HA SER A 98 89.332 -9.454 20.144 1.00 0.00 H new ATOM 0 HB2 SER A 98 87.413 -11.809 20.130 1.00 0.00 H new ATOM 0 HB3 SER A 98 88.231 -11.358 21.613 1.00 0.00 H new ATOM 0 HG SER A 98 87.146 -9.207 20.186 1.00 0.00 H new ATOM 1619 N ILE A 99 91.272 -11.315 19.245 1.00 0.00 N ATOM 1620 CA ILE A 99 92.458 -12.189 19.432 1.00 0.00 C ATOM 1621 C ILE A 99 93.728 -11.398 19.113 1.00 0.00 C ATOM 1622 O ILE A 99 94.582 -11.208 19.955 1.00 0.00 O ATOM 1623 CB ILE A 99 92.348 -13.388 18.492 1.00 0.00 C ATOM 1624 CG1 ILE A 99 91.014 -14.102 18.728 1.00 0.00 C ATOM 1625 CG2 ILE A 99 93.496 -14.356 18.769 1.00 0.00 C ATOM 1626 CD1 ILE A 99 89.965 -13.573 17.746 1.00 0.00 C ATOM 0 H ILE A 99 91.315 -10.687 18.442 1.00 0.00 H new ATOM 0 HA ILE A 99 92.502 -12.537 20.464 1.00 0.00 H new ATOM 0 HB ILE A 99 92.399 -13.045 17.459 1.00 0.00 H new ATOM 0 HG12 ILE A 99 91.138 -15.177 18.598 1.00 0.00 H new ATOM 0 HG13 ILE A 99 90.681 -13.941 19.753 1.00 0.00 H new ATOM 0 HG21 ILE A 99 93.419 -15.212 18.099 1.00 0.00 H new ATOM 0 HG22 ILE A 99 94.447 -13.850 18.603 1.00 0.00 H new ATOM 0 HG23 ILE A 99 93.442 -14.698 19.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 89.017 -14.083 17.917 1.00 0.00 H new ATOM 0 HD12 ILE A 99 89.833 -12.502 17.897 1.00 0.00 H new ATOM 0 HD13 ILE A 99 90.297 -13.757 16.724 1.00 0.00 H new ATOM 1638 N LYS A 100 93.852 -10.931 17.903 1.00 0.00 N ATOM 1639 CA LYS A 100 95.060 -10.144 17.527 1.00 0.00 C ATOM 1640 C LYS A 100 94.788 -8.663 17.786 1.00 0.00 C ATOM 1641 O LYS A 100 94.656 -7.877 16.869 1.00 0.00 O ATOM 1642 CB LYS A 100 95.367 -10.359 16.044 1.00 0.00 C ATOM 1643 CG LYS A 100 96.882 -10.414 15.839 1.00 0.00 C ATOM 1644 CD LYS A 100 97.202 -11.306 14.637 1.00 0.00 C ATOM 1645 CE LYS A 100 97.519 -10.433 13.421 1.00 0.00 C ATOM 1646 NZ LYS A 100 98.989 -10.430 13.177 1.00 0.00 N ATOM 0 H LYS A 100 93.169 -11.060 17.157 1.00 0.00 H new ATOM 0 HA LYS A 100 95.914 -10.470 18.121 1.00 0.00 H new ATOM 0 HB2 LYS A 100 94.909 -11.285 15.697 1.00 0.00 H new ATOM 0 HB3 LYS A 100 94.938 -9.550 15.452 1.00 0.00 H new ATOM 0 HG2 LYS A 100 97.274 -9.410 15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 100 97.367 -10.804 16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 100 98.050 -11.951 14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 100 96.356 -11.958 14.419 1.00 0.00 H new ATOM 0 HE2 LYS A 100 96.995 -10.811 12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 100 97.166 -9.416 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 99.202 -9.836 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 99.479 -10.050 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 99.313 -11.402 12.998 1.00 0.00 H new ATOM 1660 N LYS A 101 94.688 -8.275 19.028 1.00 0.00 N ATOM 1661 CA LYS A 101 94.406 -6.846 19.337 1.00 0.00 C ATOM 1662 C LYS A 101 95.464 -6.318 20.309 1.00 0.00 C ATOM 1663 O LYS A 101 95.206 -6.134 21.483 1.00 0.00 O ATOM 1664 CB LYS A 101 93.011 -6.696 19.973 1.00 0.00 C ATOM 1665 CG LYS A 101 92.198 -7.996 19.846 1.00 0.00 C ATOM 1666 CD LYS A 101 92.152 -8.705 21.204 1.00 0.00 C ATOM 1667 CE LYS A 101 93.568 -8.843 21.769 1.00 0.00 C ATOM 1668 NZ LYS A 101 93.493 -9.077 23.239 1.00 0.00 N ATOM 0 H LYS A 101 94.789 -8.884 19.840 1.00 0.00 H new ATOM 0 HA LYS A 101 94.434 -6.275 18.409 1.00 0.00 H new ATOM 0 HB2 LYS A 101 93.115 -6.430 21.025 1.00 0.00 H new ATOM 0 HB3 LYS A 101 92.474 -5.880 19.490 1.00 0.00 H new ATOM 0 HG2 LYS A 101 91.187 -7.773 19.506 1.00 0.00 H new ATOM 0 HG3 LYS A 101 92.649 -8.648 19.098 1.00 0.00 H new ATOM 0 HD2 LYS A 101 91.528 -8.141 21.897 1.00 0.00 H new ATOM 0 HD3 LYS A 101 91.697 -9.690 21.095 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.086 -9.670 21.284 1.00 0.00 H new ATOM 0 HE3 LYS A 101 94.144 -7.941 21.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 94.454 -9.171 23.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 93.014 -8.274 23.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 92.958 -9.950 23.425 1.00 0.00 H new ATOM 1682 N GLY A 102 96.653 -6.074 19.830 1.00 0.00 N ATOM 1683 CA GLY A 102 97.728 -5.559 20.724 1.00 0.00 C ATOM 1684 C GLY A 102 97.498 -4.073 21.003 1.00 0.00 C ATOM 1685 O GLY A 102 97.201 -3.678 22.113 1.00 0.00 O ATOM 0 H GLY A 102 96.927 -6.209 18.857 1.00 0.00 H new ATOM 0 HA2 GLY A 102 97.735 -6.118 21.660 1.00 0.00 H new ATOM 0 HA3 GLY A 102 98.703 -5.705 20.258 1.00 0.00 H new ATOM 1689 N ASN A 103 97.635 -3.244 20.005 1.00 0.00 N ATOM 1690 CA ASN A 103 97.426 -1.783 20.216 1.00 0.00 C ATOM 1691 C ASN A 103 97.311 -1.083 18.860 1.00 0.00 C ATOM 1692 O ASN A 103 97.666 0.070 18.715 1.00 0.00 O ATOM 1693 CB ASN A 103 98.617 -1.207 20.985 1.00 0.00 C ATOM 1694 CG ASN A 103 99.862 -1.246 20.098 1.00 0.00 C ATOM 1695 OD1 ASN A 103 99.908 -1.975 19.127 1.00 0.00 O ATOM 1696 ND2 ASN A 103 100.882 -0.486 20.391 1.00 0.00 N ATOM 0 H ASN A 103 97.882 -3.514 19.053 1.00 0.00 H new ATOM 0 HA ASN A 103 96.511 -1.624 20.786 1.00 0.00 H new ATOM 0 HB2 ASN A 103 98.406 -0.182 21.289 1.00 0.00 H new ATOM 0 HB3 ASN A 103 98.788 -1.781 21.896 1.00 0.00 H new ATOM 0 HD21 ASN A 103 101.717 -0.504 19.805 1.00 0.00 H new ATOM 0 HD22 ASN A 103 100.844 0.126 21.206 1.00 0.00 H new ATOM 1703 N ASN A 104 96.819 -1.770 17.865 1.00 0.00 N ATOM 1704 CA ASN A 104 96.685 -1.141 16.521 1.00 0.00 C ATOM 1705 C ASN A 104 95.467 -1.724 15.800 1.00 0.00 C ATOM 1706 O ASN A 104 94.549 -1.014 15.439 1.00 0.00 O ATOM 1707 CB ASN A 104 97.948 -1.420 15.702 1.00 0.00 C ATOM 1708 CG ASN A 104 98.408 -0.133 15.014 1.00 0.00 C ATOM 1709 OD1 ASN A 104 97.598 0.642 14.546 1.00 0.00 O ATOM 1710 ND2 ASN A 104 99.685 0.129 14.933 1.00 0.00 N ATOM 0 H ASN A 104 96.505 -2.738 17.925 1.00 0.00 H new ATOM 0 HA ASN A 104 96.555 -0.065 16.635 1.00 0.00 H new ATOM 0 HB2 ASN A 104 98.738 -1.800 16.350 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.748 -2.191 14.958 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.002 0.984 14.477 1.00 0.00 H new ATOM 0 HD22 ASN A 104 100.365 -0.522 15.326 1.00 0.00 H new ATOM 1717 N ALA A 105 95.450 -3.013 15.588 1.00 0.00 N ATOM 1718 CA ALA A 105 94.291 -3.640 14.890 1.00 0.00 C ATOM 1719 C ALA A 105 94.114 -2.996 13.514 1.00 0.00 C ATOM 1720 O ALA A 105 93.360 -2.057 13.348 1.00 0.00 O ATOM 1721 CB ALA A 105 93.021 -3.431 15.718 1.00 0.00 C ATOM 0 H ALA A 105 96.189 -3.658 15.868 1.00 0.00 H new ATOM 0 HA ALA A 105 94.475 -4.708 14.770 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.174 -3.889 15.207 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.146 -3.891 16.698 1.00 0.00 H new ATOM 0 HB3 ALA A 105 92.837 -2.363 15.839 1.00 0.00 H new ATOM 1727 N PHE A 106 94.804 -3.494 12.525 1.00 0.00 N ATOM 1728 CA PHE A 106 94.678 -2.913 11.157 1.00 0.00 C ATOM 1729 C PHE A 106 93.727 -3.770 10.323 1.00 0.00 C ATOM 1730 O PHE A 106 93.472 -4.916 10.634 1.00 0.00 O ATOM 1731 CB PHE A 106 96.037 -2.900 10.449 1.00 0.00 C ATOM 1732 CG PHE A 106 97.151 -3.219 11.409 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.492 -4.549 11.667 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.850 -2.181 12.029 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.534 -4.842 12.550 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.892 -2.470 12.910 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.237 -3.802 13.173 1.00 0.00 C ATOM 0 H PHE A 106 95.450 -4.279 12.605 1.00 0.00 H new ATOM 0 HA PHE A 106 94.301 -1.895 11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 106 96.034 -3.626 9.636 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.208 -1.921 10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.951 -5.349 11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.584 -1.154 11.826 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.798 -5.870 12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.433 -1.667 13.389 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.044 -4.027 13.855 1.00 0.00 H new ATOM 1747 N ARG A 107 93.230 -3.232 9.246 1.00 0.00 N ATOM 1748 CA ARG A 107 92.330 -4.023 8.367 1.00 0.00 C ATOM 1749 C ARG A 107 93.200 -4.976 7.542 1.00 0.00 C ATOM 1750 O ARG A 107 93.620 -4.670 6.438 1.00 0.00 O ATOM 1751 CB ARG A 107 91.548 -3.081 7.447 1.00 0.00 C ATOM 1752 CG ARG A 107 90.061 -3.435 7.470 1.00 0.00 C ATOM 1753 CD ARG A 107 89.375 -2.677 8.607 1.00 0.00 C ATOM 1754 NE ARG A 107 87.949 -3.101 8.701 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.092 -2.729 7.788 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.479 -1.982 6.789 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.846 -3.106 7.872 1.00 0.00 N ATOM 0 H ARG A 107 93.409 -2.277 8.937 1.00 0.00 H new ATOM 0 HA ARG A 107 91.613 -4.591 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.689 -2.049 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.931 -3.154 6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.600 -3.177 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.934 -4.509 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.886 -2.874 9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.435 -1.603 8.430 1.00 0.00 H new ATOM 0 HE ARG A 107 87.642 -3.683 9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.453 -1.687 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.807 -1.693 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.541 -3.691 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.176 -2.816 7.159 1.00 0.00 H new ATOM 1771 N VAL A 108 93.507 -6.114 8.102 1.00 0.00 N ATOM 1772 CA VAL A 108 94.367 -7.105 7.410 1.00 0.00 C ATOM 1773 C VAL A 108 93.625 -7.731 6.231 1.00 0.00 C ATOM 1774 O VAL A 108 92.805 -8.610 6.393 1.00 0.00 O ATOM 1775 CB VAL A 108 94.766 -8.182 8.414 1.00 0.00 C ATOM 1776 CG1 VAL A 108 95.957 -8.969 7.879 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.161 -7.505 9.725 1.00 0.00 C ATOM 0 H VAL A 108 93.190 -6.400 9.028 1.00 0.00 H new ATOM 0 HA VAL A 108 95.256 -6.610 7.020 1.00 0.00 H new ATOM 0 HB VAL A 108 93.930 -8.862 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.239 -9.737 8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.687 -9.440 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.798 -8.294 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.449 -8.263 10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.001 -6.833 9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.315 -6.935 10.110 1.00 0.00 H new ATOM 1787 N TYR A 109 93.920 -7.287 5.040 1.00 0.00 N ATOM 1788 CA TYR A 109 93.245 -7.854 3.842 1.00 0.00 C ATOM 1789 C TYR A 109 94.039 -9.062 3.343 1.00 0.00 C ATOM 1790 O TYR A 109 95.245 -9.009 3.203 1.00 0.00 O ATOM 1791 CB TYR A 109 93.191 -6.796 2.738 1.00 0.00 C ATOM 1792 CG TYR A 109 91.953 -5.953 2.909 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.929 -4.929 3.862 1.00 0.00 C ATOM 1794 CD2 TYR A 109 90.828 -6.194 2.112 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.780 -4.146 4.019 1.00 0.00 C ATOM 1796 CE2 TYR A 109 89.678 -5.411 2.270 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.655 -4.387 3.223 1.00 0.00 C ATOM 1798 OH TYR A 109 88.523 -3.613 3.379 1.00 0.00 O ATOM 0 H TYR A 109 94.602 -6.554 4.846 1.00 0.00 H new ATOM 0 HA TYR A 109 92.232 -8.159 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.080 -6.167 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.184 -7.276 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.797 -4.743 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 109 90.847 -6.984 1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.762 -3.356 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 109 88.809 -5.597 1.656 1.00 0.00 H new ATOM 0 HH TYR A 109 88.676 -2.948 4.083 1.00 0.00 H new ATOM 1808 N ARG A 110 93.374 -10.149 3.071 1.00 0.00 N ATOM 1809 CA ARG A 110 94.093 -11.355 2.579 1.00 0.00 C ATOM 1810 C ARG A 110 93.793 -11.550 1.092 1.00 0.00 C ATOM 1811 O ARG A 110 92.653 -11.644 0.686 1.00 0.00 O ATOM 1812 CB ARG A 110 93.625 -12.582 3.363 1.00 0.00 C ATOM 1813 CG ARG A 110 94.156 -13.852 2.696 1.00 0.00 C ATOM 1814 CD ARG A 110 93.570 -15.077 3.401 1.00 0.00 C ATOM 1815 NE ARG A 110 93.553 -16.234 2.461 1.00 0.00 N ATOM 1816 CZ ARG A 110 92.821 -17.284 2.726 1.00 0.00 C ATOM 1817 NH1 ARG A 110 92.102 -17.324 3.815 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.808 -18.296 1.902 1.00 0.00 N ATOM 0 H ARG A 110 92.364 -10.254 3.168 1.00 0.00 H new ATOM 0 HA ARG A 110 95.166 -11.225 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.979 -12.525 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.536 -12.608 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.886 -13.862 1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.245 -13.875 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.163 -15.320 4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 110 92.559 -14.861 3.747 1.00 0.00 H new ATOM 0 HE ARG A 110 94.114 -16.206 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.111 -16.535 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.532 -18.144 4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 110 93.369 -18.268 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.237 -19.115 2.109 1.00 0.00 H new ATOM 1832 N MET A 111 94.809 -11.608 0.278 1.00 0.00 N ATOM 1833 CA MET A 111 94.588 -11.796 -1.184 1.00 0.00 C ATOM 1834 C MET A 111 94.920 -13.239 -1.568 1.00 0.00 C ATOM 1835 O MET A 111 95.987 -13.739 -1.271 1.00 0.00 O ATOM 1836 CB MET A 111 95.493 -10.841 -1.965 1.00 0.00 C ATOM 1837 CG MET A 111 95.328 -9.421 -1.422 1.00 0.00 C ATOM 1838 SD MET A 111 94.690 -8.345 -2.730 1.00 0.00 S ATOM 1839 CE MET A 111 96.135 -7.264 -2.859 1.00 0.00 C ATOM 0 H MET A 111 95.786 -11.533 0.562 1.00 0.00 H new ATOM 0 HA MET A 111 93.546 -11.586 -1.423 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.533 -11.156 -1.878 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.239 -10.868 -3.025 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.645 -9.422 -0.572 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.285 -9.045 -1.061 1.00 0.00 H new ATOM 0 HE1 MET A 111 95.858 -6.250 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.921 -7.627 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.498 -7.263 -3.887 1.00 0.00 H new ATOM 1849 N LEU A 112 94.017 -13.915 -2.225 1.00 0.00 N ATOM 1850 CA LEU A 112 94.288 -15.325 -2.623 1.00 0.00 C ATOM 1851 C LEU A 112 95.120 -15.341 -3.911 1.00 0.00 C ATOM 1852 O LEU A 112 94.884 -14.552 -4.806 1.00 0.00 O ATOM 1853 CB LEU A 112 92.961 -16.052 -2.862 1.00 0.00 C ATOM 1854 CG LEU A 112 91.903 -15.521 -1.892 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.685 -16.447 -1.906 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.486 -15.472 -0.478 1.00 0.00 C ATOM 0 H LEU A 112 93.105 -13.552 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 112 94.839 -15.828 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.633 -15.903 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.092 -17.125 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 112 91.602 -14.519 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.932 -16.068 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.268 -16.484 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.986 -17.449 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.733 -15.094 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.787 -16.474 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.354 -14.813 -0.465 1.00 0.00 H new ATOM 1868 N PRO A 113 96.072 -16.239 -3.967 1.00 0.00 N ATOM 1869 CA PRO A 113 96.961 -16.382 -5.133 1.00 0.00 C ATOM 1870 C PRO A 113 96.247 -17.121 -6.268 1.00 0.00 C ATOM 1871 O PRO A 113 95.846 -18.253 -6.051 1.00 0.00 O ATOM 1872 CB PRO A 113 98.132 -17.202 -4.597 1.00 0.00 C ATOM 1873 CG PRO A 113 97.604 -17.952 -3.358 1.00 0.00 C ATOM 1874 CD PRO A 113 96.352 -17.195 -2.879 1.00 0.00 C ATOM 1875 OXT PRO A 113 96.113 -16.542 -7.333 1.00 0.00 O ATOM 0 HA PRO A 113 97.275 -15.425 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 113 98.494 -17.902 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.970 -16.557 -4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 113 97.360 -18.985 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.360 -17.983 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.514 -17.873 -2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.533 -16.682 -1.934 1.00 0.00 H new TER 1883 PRO A 113