USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=18 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= -8.99! C(o=-13!,f=-14!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= -4.27! C(o=-13!,f=-13!) USER MOD Single : A 6 MET CE :methyl -170:sc= -2.38! (180deg=-2.9!) USER MOD Single : A 8 MET CE :methyl -146:sc= -11.3! (180deg=-15.9!) USER MOD Single : A 15 GLN : amide:sc= -2.11! C(o=-2.1!,f=-4.1!) USER MOD Single : A 17 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.577 K(o=-0.58,f=-2.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -2.33 (180deg=-4.3!) USER MOD Single : A 28 ASN : amide:sc= -0.968 X(o=-0.97,f=-0.93) 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= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 39 MET CE :methyl 162:sc= -1.94 (180deg=-2.52!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0332) USER MOD Single : A 62 THR OG1 : rot -67:sc= 0.0923 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -3.55! C(o=-3.6!,f=-3.5!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 133:sc= -0.328 (180deg=-1.42!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.929 K(o=-0.93,f=-0.026) USER MOD Single : A 83 CYS SG : rot 71:sc= 0.816 USER MOD Single : A 85 MET CE :methyl -143:sc= -5.44! (180deg=-7.26!) USER MOD Single : A 86 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.1!) USER MOD Single : A 87 SER OG : rot -72:sc= -3.8! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0.423 (180deg=0.399) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.1!) USER MOD Single : A 109 TYR OH : rot -114:sc= -0.747 USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 90.240 -4.397 -21.014 1.00 0.00 N ATOM 2 CA PRO A 2 90.611 -2.982 -21.189 1.00 0.00 C ATOM 3 C PRO A 2 91.551 -2.535 -20.064 1.00 0.00 C ATOM 4 O PRO A 2 91.190 -1.738 -19.221 1.00 0.00 O ATOM 5 CB PRO A 2 89.271 -2.248 -21.101 1.00 0.00 C ATOM 6 CG PRO A 2 88.309 -3.182 -20.327 1.00 0.00 C ATOM 7 CD PRO A 2 88.899 -4.602 -20.427 1.00 0.00 C ATOM 0 HA PRO A 2 91.138 -2.788 -22.123 1.00 0.00 H new ATOM 0 HB2 PRO A 2 89.384 -1.294 -20.586 1.00 0.00 H new ATOM 0 HB3 PRO A 2 88.883 -2.029 -22.096 1.00 0.00 H new ATOM 0 HG2 PRO A 2 88.221 -2.871 -19.286 1.00 0.00 H new ATOM 0 HG3 PRO A 2 87.307 -3.148 -20.755 1.00 0.00 H new ATOM 0 HD2 PRO A 2 88.961 -5.077 -19.448 1.00 0.00 H new ATOM 0 HD3 PRO A 2 88.283 -5.246 -21.055 1.00 0.00 H new ATOM 17 N VAL A 3 92.753 -3.040 -20.044 1.00 0.00 N ATOM 18 CA VAL A 3 93.708 -2.639 -18.973 1.00 0.00 C ATOM 19 C VAL A 3 94.712 -1.635 -19.543 1.00 0.00 C ATOM 20 O VAL A 3 95.704 -2.005 -20.141 1.00 0.00 O ATOM 21 CB VAL A 3 94.449 -3.874 -18.463 1.00 0.00 C ATOM 22 CG1 VAL A 3 95.464 -3.460 -17.397 1.00 0.00 C ATOM 23 CG2 VAL A 3 93.442 -4.853 -17.853 1.00 0.00 C ATOM 0 H VAL A 3 93.115 -3.711 -20.721 1.00 0.00 H new ATOM 0 HA VAL A 3 93.163 -2.180 -18.148 1.00 0.00 H new ATOM 0 HB VAL A 3 94.970 -4.353 -19.292 1.00 0.00 H new ATOM 0 HG11 VAL A 3 95.991 -4.342 -17.035 1.00 0.00 H new ATOM 0 HG12 VAL A 3 96.180 -2.761 -17.829 1.00 0.00 H new ATOM 0 HG13 VAL A 3 94.945 -2.981 -16.567 1.00 0.00 H new ATOM 0 HG21 VAL A 3 93.968 -5.735 -17.488 1.00 0.00 H new ATOM 0 HG22 VAL A 3 92.923 -4.372 -17.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 92.718 -5.150 -18.612 1.00 0.00 H new ATOM 33 N GLU A 4 94.462 -0.367 -19.365 1.00 0.00 N ATOM 34 CA GLU A 4 95.397 0.661 -19.898 1.00 0.00 C ATOM 35 C GLU A 4 95.642 1.729 -18.831 1.00 0.00 C ATOM 36 O GLU A 4 95.483 2.909 -19.073 1.00 0.00 O ATOM 37 CB GLU A 4 94.778 1.312 -21.139 1.00 0.00 C ATOM 38 CG GLU A 4 95.666 1.047 -22.356 1.00 0.00 C ATOM 39 CD GLU A 4 95.429 2.137 -23.404 1.00 0.00 C ATOM 40 OE1 GLU A 4 94.703 3.070 -23.105 1.00 0.00 O ATOM 41 OE2 GLU A 4 95.979 2.020 -24.487 1.00 0.00 O ATOM 0 H GLU A 4 93.648 0.001 -18.872 1.00 0.00 H new ATOM 0 HA GLU A 4 96.344 0.191 -20.165 1.00 0.00 H new ATOM 0 HB2 GLU A 4 93.779 0.912 -21.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 94.669 2.385 -20.983 1.00 0.00 H new ATOM 0 HG2 GLU A 4 96.715 1.034 -22.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 95.442 0.067 -22.777 1.00 0.00 H new ATOM 48 N ARG A 5 96.024 1.325 -17.649 1.00 0.00 N ATOM 49 CA ARG A 5 96.273 2.318 -16.568 1.00 0.00 C ATOM 50 C ARG A 5 96.760 1.599 -15.308 1.00 0.00 C ATOM 51 O ARG A 5 96.019 1.432 -14.359 1.00 0.00 O ATOM 52 CB ARG A 5 94.976 3.064 -16.263 1.00 0.00 C ATOM 53 CG ARG A 5 93.806 2.079 -16.264 1.00 0.00 C ATOM 54 CD ARG A 5 93.188 2.024 -14.868 1.00 0.00 C ATOM 55 NE ARG A 5 91.868 1.336 -14.941 1.00 0.00 N ATOM 56 CZ ARG A 5 90.827 1.960 -15.425 1.00 0.00 C ATOM 57 NH1 ARG A 5 90.937 3.190 -15.847 1.00 0.00 N ATOM 58 NH2 ARG A 5 89.676 1.350 -15.491 1.00 0.00 N ATOM 0 H ARG A 5 96.174 0.351 -17.387 1.00 0.00 H new ATOM 0 HA ARG A 5 97.036 3.026 -16.892 1.00 0.00 H new ATOM 0 HB2 ARG A 5 95.048 3.558 -15.294 1.00 0.00 H new ATOM 0 HB3 ARG A 5 94.809 3.843 -17.007 1.00 0.00 H new ATOM 0 HG2 ARG A 5 93.057 2.388 -16.993 1.00 0.00 H new ATOM 0 HG3 ARG A 5 94.151 1.088 -16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 5 93.851 1.493 -14.185 1.00 0.00 H new ATOM 0 HD3 ARG A 5 93.064 3.032 -14.472 1.00 0.00 H new ATOM 0 HE ARG A 5 91.777 0.375 -14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 91.837 3.667 -15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 5 90.123 3.674 -16.224 1.00 0.00 H new ATOM 0 HH21 ARG A 5 89.590 0.387 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 5 88.862 1.836 -15.869 1.00 0.00 H new ATOM 72 N MET A 6 98.004 1.186 -15.299 1.00 0.00 N ATOM 73 CA MET A 6 98.582 0.475 -14.113 1.00 0.00 C ATOM 74 C MET A 6 97.503 -0.326 -13.379 1.00 0.00 C ATOM 75 O MET A 6 96.786 0.197 -12.549 1.00 0.00 O ATOM 76 CB MET A 6 99.186 1.502 -13.152 1.00 0.00 C ATOM 77 CG MET A 6 100.634 1.120 -12.838 1.00 0.00 C ATOM 78 SD MET A 6 100.660 -0.418 -11.884 1.00 0.00 S ATOM 79 CE MET A 6 101.953 0.062 -10.712 1.00 0.00 C ATOM 0 H MET A 6 98.654 1.313 -16.075 1.00 0.00 H new ATOM 0 HA MET A 6 99.352 -0.213 -14.462 1.00 0.00 H new ATOM 0 HB2 MET A 6 99.150 2.497 -13.597 1.00 0.00 H new ATOM 0 HB3 MET A 6 98.602 1.542 -12.232 1.00 0.00 H new ATOM 0 HG2 MET A 6 101.197 0.996 -13.763 1.00 0.00 H new ATOM 0 HG3 MET A 6 101.118 1.918 -12.275 1.00 0.00 H new ATOM 0 HE1 MET A 6 102.260 -0.808 -10.132 1.00 0.00 H new ATOM 0 HE2 MET A 6 102.811 0.455 -11.258 1.00 0.00 H new ATOM 0 HE3 MET A 6 101.568 0.829 -10.040 1.00 0.00 H new ATOM 89 N ARG A 7 97.384 -1.589 -13.675 1.00 0.00 N ATOM 90 CA ARG A 7 96.355 -2.420 -12.992 1.00 0.00 C ATOM 91 C ARG A 7 96.461 -2.224 -11.476 1.00 0.00 C ATOM 92 O ARG A 7 97.528 -1.982 -10.939 1.00 0.00 O ATOM 93 CB ARG A 7 96.576 -3.893 -13.339 1.00 0.00 C ATOM 94 CG ARG A 7 95.380 -4.716 -12.859 1.00 0.00 C ATOM 95 CD ARG A 7 94.598 -5.230 -14.068 1.00 0.00 C ATOM 96 NE ARG A 7 93.835 -6.452 -13.685 1.00 0.00 N ATOM 97 CZ ARG A 7 94.451 -7.595 -13.550 1.00 0.00 C ATOM 98 NH1 ARG A 7 95.739 -7.676 -13.747 1.00 0.00 N ATOM 99 NH2 ARG A 7 93.775 -8.662 -13.220 1.00 0.00 N ATOM 0 H ARG A 7 97.955 -2.082 -14.361 1.00 0.00 H new ATOM 0 HA ARG A 7 95.363 -2.116 -13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.702 -4.009 -14.415 1.00 0.00 H new ATOM 0 HB3 ARG A 7 97.491 -4.255 -12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 7 95.722 -5.553 -12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.735 -4.105 -12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.915 -4.460 -14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.281 -5.457 -14.887 1.00 0.00 H new ATOM 0 HE ARG A 7 92.829 -6.395 -13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 7 96.268 -6.844 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 7 96.216 -8.571 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 7 92.768 -8.601 -13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 7 94.254 -9.556 -13.114 1.00 0.00 H new ATOM 113 N MET A 8 95.359 -2.322 -10.784 1.00 0.00 N ATOM 114 CA MET A 8 95.385 -2.132 -9.307 1.00 0.00 C ATOM 115 C MET A 8 96.195 -3.255 -8.639 1.00 0.00 C ATOM 116 O MET A 8 96.875 -3.041 -7.655 1.00 0.00 O ATOM 117 CB MET A 8 93.953 -2.155 -8.767 1.00 0.00 C ATOM 118 CG MET A 8 93.984 -2.282 -7.242 1.00 0.00 C ATOM 119 SD MET A 8 92.447 -1.633 -6.545 1.00 0.00 S ATOM 120 CE MET A 8 92.938 -1.736 -4.806 1.00 0.00 C ATOM 0 H MET A 8 94.441 -2.526 -11.179 1.00 0.00 H new ATOM 0 HA MET A 8 95.853 -1.173 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.429 -1.244 -9.056 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.403 -2.990 -9.201 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.111 -3.326 -6.957 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.837 -1.735 -6.839 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.067 -1.976 -4.196 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.691 -2.515 -4.686 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.352 -0.779 -4.487 1.00 0.00 H new ATOM 130 N ARG A 9 96.109 -4.453 -9.155 1.00 0.00 N ATOM 131 CA ARG A 9 96.853 -5.598 -8.541 1.00 0.00 C ATOM 132 C ARG A 9 98.338 -5.253 -8.362 1.00 0.00 C ATOM 133 O ARG A 9 98.854 -5.299 -7.260 1.00 0.00 O ATOM 134 CB ARG A 9 96.727 -6.827 -9.447 1.00 0.00 C ATOM 135 CG ARG A 9 95.725 -7.810 -8.842 1.00 0.00 C ATOM 136 CD ARG A 9 96.478 -9.001 -8.245 1.00 0.00 C ATOM 137 NE ARG A 9 95.902 -10.269 -8.773 1.00 0.00 N ATOM 138 CZ ARG A 9 96.048 -10.582 -10.033 1.00 0.00 C ATOM 139 NH1 ARG A 9 96.699 -9.785 -10.836 1.00 0.00 N ATOM 140 NH2 ARG A 9 95.546 -11.696 -10.488 1.00 0.00 N ATOM 0 H ARG A 9 95.555 -4.691 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 9 96.423 -5.805 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.400 -6.526 -10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.699 -7.307 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.134 -7.316 -8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 9 95.028 -8.153 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 9 97.537 -8.938 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 9 96.406 -8.982 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 9 95.392 -10.895 -8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 9 97.095 -8.915 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 9 96.811 -10.032 -11.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 95.040 -12.321 -9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 9 95.659 -11.942 -11.471 1.00 0.00 H new ATOM 154 N PRO A 10 98.986 -4.927 -9.450 1.00 0.00 N ATOM 155 CA PRO A 10 100.417 -4.588 -9.443 1.00 0.00 C ATOM 156 C PRO A 10 100.656 -3.241 -8.762 1.00 0.00 C ATOM 157 O PRO A 10 101.631 -3.063 -8.059 1.00 0.00 O ATOM 158 CB PRO A 10 100.798 -4.554 -10.922 1.00 0.00 C ATOM 159 CG PRO A 10 99.483 -4.341 -11.694 1.00 0.00 C ATOM 160 CD PRO A 10 98.355 -4.851 -10.781 1.00 0.00 C ATOM 0 HA PRO A 10 101.020 -5.303 -8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.504 -3.749 -11.125 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.280 -5.484 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.341 -3.288 -11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.494 -4.886 -12.638 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.502 -4.172 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.987 -5.824 -11.105 1.00 0.00 H new ATOM 168 N TRP A 11 99.780 -2.294 -8.944 1.00 0.00 N ATOM 169 CA TRP A 11 99.988 -0.979 -8.277 1.00 0.00 C ATOM 170 C TRP A 11 100.138 -1.202 -6.766 1.00 0.00 C ATOM 171 O TRP A 11 101.012 -0.646 -6.127 1.00 0.00 O ATOM 172 CB TRP A 11 98.788 -0.070 -8.545 1.00 0.00 C ATOM 173 CG TRP A 11 98.957 1.207 -7.785 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.557 2.323 -8.261 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.534 1.518 -6.426 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.527 3.298 -7.280 1.00 0.00 N ATOM 177 CE2 TRP A 11 98.908 2.850 -6.132 1.00 0.00 C ATOM 178 CE3 TRP A 11 97.869 0.781 -5.430 1.00 0.00 C ATOM 179 CZ2 TRP A 11 98.631 3.433 -4.896 1.00 0.00 C ATOM 180 CZ3 TRP A 11 97.589 1.361 -4.184 1.00 0.00 C ATOM 181 CH2 TRP A 11 97.968 2.684 -3.917 1.00 0.00 C ATOM 0 H TRP A 11 98.940 -2.370 -9.517 1.00 0.00 H new ATOM 0 HA TRP A 11 100.888 -0.507 -8.670 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.705 0.137 -9.612 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.866 -0.567 -8.243 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.988 2.434 -9.245 1.00 0.00 H new ATOM 0 HE1 TRP A 11 99.916 4.234 -7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 11 97.572 -0.239 -5.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 98.925 4.453 -4.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 97.079 0.785 -3.426 1.00 0.00 H new ATOM 0 HH2 TRP A 11 97.748 3.125 -2.956 1.00 0.00 H new ATOM 192 N LEU A 12 99.302 -2.027 -6.191 1.00 0.00 N ATOM 193 CA LEU A 12 99.401 -2.296 -4.730 1.00 0.00 C ATOM 194 C LEU A 12 100.636 -3.148 -4.472 1.00 0.00 C ATOM 195 O LEU A 12 101.406 -2.882 -3.573 1.00 0.00 O ATOM 196 CB LEU A 12 98.154 -3.045 -4.257 1.00 0.00 C ATOM 197 CG LEU A 12 97.310 -2.121 -3.377 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.031 -1.734 -4.119 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.950 -2.847 -2.078 1.00 0.00 C ATOM 0 H LEU A 12 98.554 -2.526 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 12 99.477 -1.355 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.571 -3.381 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.441 -3.936 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 12 97.878 -1.220 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 12 95.431 -1.076 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 12 96.289 -1.217 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.460 -2.633 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.349 -2.191 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 12 96.382 -3.748 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 97.863 -3.120 -1.549 1.00 0.00 H new ATOM 211 N GLU A 13 100.840 -4.168 -5.261 1.00 0.00 N ATOM 212 CA GLU A 13 102.038 -5.023 -5.057 1.00 0.00 C ATOM 213 C GLU A 13 103.251 -4.119 -4.825 1.00 0.00 C ATOM 214 O GLU A 13 104.026 -4.323 -3.912 1.00 0.00 O ATOM 215 CB GLU A 13 102.266 -5.889 -6.299 1.00 0.00 C ATOM 216 CG GLU A 13 102.966 -7.188 -5.896 1.00 0.00 C ATOM 217 CD GLU A 13 104.047 -7.523 -6.925 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.986 -6.979 -8.016 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.916 -8.317 -6.606 1.00 0.00 O ATOM 0 H GLU A 13 100.232 -4.443 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 13 101.892 -5.673 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 13 101.313 -6.111 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 102.872 -5.348 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.411 -7.083 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.242 -8.000 -5.835 1.00 0.00 H new ATOM 226 N GLU A 14 103.410 -3.108 -5.637 1.00 0.00 N ATOM 227 CA GLU A 14 104.562 -2.180 -5.459 1.00 0.00 C ATOM 228 C GLU A 14 104.359 -1.352 -4.189 1.00 0.00 C ATOM 229 O GLU A 14 105.247 -1.229 -3.371 1.00 0.00 O ATOM 230 CB GLU A 14 104.658 -1.247 -6.668 1.00 0.00 C ATOM 231 CG GLU A 14 106.075 -1.300 -7.244 1.00 0.00 C ATOM 232 CD GLU A 14 107.039 -0.577 -6.302 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.596 -0.140 -5.253 1.00 0.00 O ATOM 234 OE2 GLU A 14 108.205 -0.472 -6.646 1.00 0.00 O ATOM 0 H GLU A 14 102.791 -2.885 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 14 105.483 -2.757 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.934 -1.543 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.412 -0.227 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.387 -2.336 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 14 106.096 -0.834 -8.229 1.00 0.00 H new ATOM 241 N GLN A 15 103.201 -0.778 -4.012 1.00 0.00 N ATOM 242 CA GLN A 15 102.962 0.039 -2.787 1.00 0.00 C ATOM 243 C GLN A 15 103.320 -0.782 -1.544 1.00 0.00 C ATOM 244 O GLN A 15 104.297 -0.516 -0.869 1.00 0.00 O ATOM 245 CB GLN A 15 101.486 0.441 -2.723 1.00 0.00 C ATOM 246 CG GLN A 15 101.149 1.333 -3.920 1.00 0.00 C ATOM 247 CD GLN A 15 101.775 2.713 -3.721 1.00 0.00 C ATOM 248 OE1 GLN A 15 101.597 3.331 -2.690 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.506 3.226 -4.672 1.00 0.00 N ATOM 0 H GLN A 15 102.414 -0.838 -4.658 1.00 0.00 H new ATOM 0 HA GLN A 15 103.583 0.934 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 15 100.855 -0.448 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.282 0.970 -1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.522 0.882 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.068 1.424 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.655 2.707 -5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 15 102.929 4.146 -4.550 1.00 0.00 H new ATOM 258 N ILE A 16 102.529 -1.770 -1.235 1.00 0.00 N ATOM 259 CA ILE A 16 102.798 -2.613 -0.034 1.00 0.00 C ATOM 260 C ILE A 16 104.246 -3.118 -0.041 1.00 0.00 C ATOM 261 O ILE A 16 104.972 -2.947 0.917 1.00 0.00 O ATOM 262 CB ILE A 16 101.843 -3.808 -0.040 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.409 -3.312 -0.243 1.00 0.00 C ATOM 264 CG2 ILE A 16 101.939 -4.546 1.295 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.743 -4.119 -1.358 1.00 0.00 C ATOM 0 H ILE A 16 101.700 -2.033 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 16 102.644 -2.012 0.862 1.00 0.00 H new ATOM 0 HB ILE A 16 102.115 -4.485 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 16 99.843 -3.415 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.412 -2.252 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.258 -5.397 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 16 102.960 -4.898 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 16 101.668 -3.869 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.722 -3.766 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.305 -3.993 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.727 -5.174 -1.084 1.00 0.00 H new ATOM 277 N ASN A 17 104.671 -3.756 -1.100 1.00 0.00 N ATOM 278 CA ASN A 17 106.068 -4.281 -1.138 1.00 0.00 C ATOM 279 C ASN A 17 107.064 -3.168 -0.804 1.00 0.00 C ATOM 280 O ASN A 17 107.655 -3.154 0.259 1.00 0.00 O ATOM 281 CB ASN A 17 106.368 -4.841 -2.529 1.00 0.00 C ATOM 282 CG ASN A 17 107.542 -5.816 -2.444 1.00 0.00 C ATOM 283 OD1 ASN A 17 108.555 -5.516 -1.845 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.446 -6.982 -3.022 1.00 0.00 N ATOM 0 H ASN A 17 104.115 -3.936 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 17 106.167 -5.074 -0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.489 -5.348 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 17 106.605 -4.029 -3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.222 -7.642 -2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.595 -7.233 -3.525 1.00 0.00 H new ATOM 291 N SER A 18 107.258 -2.245 -1.702 1.00 0.00 N ATOM 292 CA SER A 18 108.218 -1.131 -1.448 1.00 0.00 C ATOM 293 C SER A 18 108.072 -0.659 -0.003 1.00 0.00 C ATOM 294 O SER A 18 109.028 -0.274 0.638 1.00 0.00 O ATOM 295 CB SER A 18 107.917 0.029 -2.398 1.00 0.00 C ATOM 296 OG SER A 18 108.975 0.976 -2.332 1.00 0.00 O ATOM 0 H SER A 18 106.791 -2.212 -2.608 1.00 0.00 H new ATOM 0 HA SER A 18 109.237 -1.481 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.807 -0.340 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.973 0.501 -2.126 1.00 0.00 H new ATOM 0 HG SER A 18 108.786 1.720 -2.941 1.00 0.00 H new ATOM 302 N ASN A 19 106.877 -0.693 0.511 1.00 0.00 N ATOM 303 CA ASN A 19 106.659 -0.255 1.918 1.00 0.00 C ATOM 304 C ASN A 19 106.699 1.269 1.980 1.00 0.00 C ATOM 305 O ASN A 19 107.651 1.858 2.452 1.00 0.00 O ATOM 306 CB ASN A 19 107.764 -0.829 2.808 1.00 0.00 C ATOM 307 CG ASN A 19 107.162 -1.285 4.139 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.253 -2.092 4.164 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.633 -0.798 5.255 1.00 0.00 N ATOM 0 H ASN A 19 106.040 -1.005 0.019 1.00 0.00 H new ATOM 0 HA ASN A 19 105.690 -0.612 2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.248 -1.669 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.532 -0.076 2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.238 -1.095 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.396 -0.121 5.234 1.00 0.00 H new ATOM 316 N THR A 20 105.673 1.912 1.499 1.00 0.00 N ATOM 317 CA THR A 20 105.652 3.397 1.520 1.00 0.00 C ATOM 318 C THR A 20 105.049 3.891 2.835 1.00 0.00 C ATOM 319 O THR A 20 105.346 4.974 3.296 1.00 0.00 O ATOM 320 CB THR A 20 104.811 3.903 0.349 1.00 0.00 C ATOM 321 OG1 THR A 20 104.339 2.796 -0.408 1.00 0.00 O ATOM 322 CG2 THR A 20 105.673 4.796 -0.533 1.00 0.00 C ATOM 0 H THR A 20 104.848 1.471 1.092 1.00 0.00 H new ATOM 0 HA THR A 20 106.671 3.775 1.433 1.00 0.00 H new ATOM 0 HB THR A 20 103.960 4.471 0.724 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.798 3.120 -1.158 1.00 0.00 H new ATOM 0 HG21 THR A 20 105.080 5.161 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.036 5.642 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 20 106.521 4.225 -0.910 1.00 0.00 H new ATOM 330 N ILE A 21 104.202 3.108 3.441 1.00 0.00 N ATOM 331 CA ILE A 21 103.582 3.539 4.723 1.00 0.00 C ATOM 332 C ILE A 21 103.776 2.435 5.770 1.00 0.00 C ATOM 333 O ILE A 21 103.526 1.278 5.492 1.00 0.00 O ATOM 334 CB ILE A 21 102.085 3.783 4.496 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.908 4.966 3.542 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.397 4.099 5.827 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.911 4.462 2.098 1.00 0.00 C ATOM 0 H ILE A 21 103.913 2.190 3.104 1.00 0.00 H new ATOM 0 HA ILE A 21 104.050 4.458 5.076 1.00 0.00 H new ATOM 0 HB ILE A 21 101.636 2.887 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 21 100.972 5.483 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 21 102.711 5.688 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.334 4.271 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.523 3.259 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.843 4.992 6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.785 5.305 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 21 102.858 3.965 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 21 101.092 3.757 1.957 1.00 0.00 H new ATOM 349 N PRO A 22 104.213 2.817 6.947 1.00 0.00 N ATOM 350 CA PRO A 22 104.448 1.860 8.047 1.00 0.00 C ATOM 351 C PRO A 22 103.122 1.344 8.618 1.00 0.00 C ATOM 352 O PRO A 22 103.100 0.552 9.538 1.00 0.00 O ATOM 353 CB PRO A 22 105.227 2.679 9.081 1.00 0.00 C ATOM 354 CG PRO A 22 104.923 4.163 8.778 1.00 0.00 C ATOM 355 CD PRO A 22 104.509 4.225 7.296 1.00 0.00 C ATOM 0 HA PRO A 22 104.990 0.970 7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.921 2.418 10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.296 2.479 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.125 4.536 9.421 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.799 4.785 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.638 4.864 7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.308 4.631 6.675 1.00 0.00 H new ATOM 363 N GLY A 23 102.020 1.771 8.068 1.00 0.00 N ATOM 364 CA GLY A 23 100.702 1.289 8.564 1.00 0.00 C ATOM 365 C GLY A 23 100.114 0.329 7.527 1.00 0.00 C ATOM 366 O GLY A 23 99.255 -0.478 7.826 1.00 0.00 O ATOM 0 H GLY A 23 101.976 2.435 7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 23 100.820 0.785 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.028 2.130 8.727 1.00 0.00 H new ATOM 370 N LEU A 24 100.588 0.402 6.311 1.00 0.00 N ATOM 371 CA LEU A 24 100.084 -0.509 5.248 1.00 0.00 C ATOM 372 C LEU A 24 101.268 -1.342 4.742 1.00 0.00 C ATOM 373 O LEU A 24 102.292 -0.804 4.372 1.00 0.00 O ATOM 374 CB LEU A 24 99.464 0.333 4.107 1.00 0.00 C ATOM 375 CG LEU A 24 99.985 -0.125 2.735 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.575 -1.578 2.490 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.395 0.761 1.633 1.00 0.00 C ATOM 0 H LEU A 24 101.308 1.059 6.009 1.00 0.00 H new ATOM 0 HA LEU A 24 99.312 -1.176 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.378 0.245 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.702 1.386 4.257 1.00 0.00 H new ATOM 0 HG LEU A 24 101.072 -0.044 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.945 -1.901 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.999 -2.212 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.488 -1.658 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 24 99.768 0.432 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.308 0.686 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.689 1.797 1.802 1.00 0.00 H new ATOM 389 N LYS A 25 101.152 -2.641 4.723 1.00 0.00 N ATOM 390 CA LYS A 25 102.307 -3.455 4.232 1.00 0.00 C ATOM 391 C LYS A 25 101.931 -4.933 4.076 1.00 0.00 C ATOM 392 O LYS A 25 100.834 -5.350 4.390 1.00 0.00 O ATOM 393 CB LYS A 25 103.477 -3.326 5.208 1.00 0.00 C ATOM 394 CG LYS A 25 102.938 -3.170 6.624 1.00 0.00 C ATOM 395 CD LYS A 25 102.129 -4.412 6.986 1.00 0.00 C ATOM 396 CE LYS A 25 102.349 -4.752 8.461 1.00 0.00 C ATOM 397 NZ LYS A 25 103.189 -5.978 8.571 1.00 0.00 N ATOM 0 H LYS A 25 100.330 -3.167 5.018 1.00 0.00 H new ATOM 0 HA LYS A 25 102.593 -3.074 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.116 -4.206 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.092 -2.466 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.760 -3.038 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.313 -2.280 6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.070 -4.237 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.431 -5.251 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.836 -3.919 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.390 -4.910 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.839 -6.569 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.139 -6.514 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.176 -5.707 8.757 1.00 0.00 H new ATOM 411 N TRP A 26 102.851 -5.719 3.572 1.00 0.00 N ATOM 412 CA TRP A 26 102.592 -7.173 3.359 1.00 0.00 C ATOM 413 C TRP A 26 102.829 -7.957 4.648 1.00 0.00 C ATOM 414 O TRP A 26 103.958 -8.198 5.024 1.00 0.00 O ATOM 415 CB TRP A 26 103.582 -7.724 2.327 1.00 0.00 C ATOM 416 CG TRP A 26 103.184 -7.355 0.936 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.919 -6.582 0.109 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.998 -7.744 0.187 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.262 -6.468 -1.100 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.069 -7.163 -1.100 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.877 -8.533 0.497 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.063 -7.359 -2.047 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.862 -8.733 -0.453 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.955 -8.146 -1.723 1.00 0.00 C ATOM 0 H TRP A 26 103.782 -5.408 3.296 1.00 0.00 H new ATOM 0 HA TRP A 26 101.559 -7.281 3.027 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.580 -7.338 2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.635 -8.809 2.416 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.867 -6.126 0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.615 -5.936 -1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.795 -8.989 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.140 -6.905 -3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.006 -9.342 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.171 -8.302 -2.450 1.00 0.00 H new ATOM 435 N LEU A 27 101.801 -8.410 5.308 1.00 0.00 N ATOM 436 CA LEU A 27 102.051 -9.226 6.525 1.00 0.00 C ATOM 437 C LEU A 27 102.752 -10.497 6.059 1.00 0.00 C ATOM 438 O LEU A 27 103.609 -11.044 6.725 1.00 0.00 O ATOM 439 CB LEU A 27 100.730 -9.600 7.205 1.00 0.00 C ATOM 440 CG LEU A 27 99.835 -8.368 7.369 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.888 -8.604 8.543 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.685 -7.125 7.657 1.00 0.00 C ATOM 0 H LEU A 27 100.822 -8.256 5.065 1.00 0.00 H new ATOM 0 HA LEU A 27 102.653 -8.668 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.212 -10.355 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.931 -10.042 8.181 1.00 0.00 H new ATOM 0 HG LEU A 27 99.273 -8.207 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.244 -7.734 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.275 -9.483 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.468 -8.764 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.035 -6.258 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.252 -7.277 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.374 -6.956 6.829 1.00 0.00 H new ATOM 454 N ASN A 28 102.387 -10.948 4.891 1.00 0.00 N ATOM 455 CA ASN A 28 102.999 -12.166 4.303 1.00 0.00 C ATOM 456 C ASN A 28 102.747 -12.136 2.794 1.00 0.00 C ATOM 457 O ASN A 28 101.866 -12.804 2.287 1.00 0.00 O ATOM 458 CB ASN A 28 102.354 -13.415 4.910 1.00 0.00 C ATOM 459 CG ASN A 28 103.048 -13.760 6.229 1.00 0.00 C ATOM 460 OD1 ASN A 28 102.460 -13.647 7.286 1.00 0.00 O ATOM 461 ND2 ASN A 28 104.285 -14.177 6.211 1.00 0.00 N ATOM 0 H ASN A 28 101.673 -10.511 4.308 1.00 0.00 H new ATOM 0 HA ASN A 28 104.069 -12.192 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.291 -13.242 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.433 -14.252 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.758 -14.408 7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.778 -14.272 5.323 1.00 0.00 H new ATOM 468 N LYS A 29 103.496 -11.343 2.072 1.00 0.00 N ATOM 469 CA LYS A 29 103.279 -11.254 0.603 1.00 0.00 C ATOM 470 C LYS A 29 103.414 -12.643 -0.023 1.00 0.00 C ATOM 471 O LYS A 29 102.892 -12.904 -1.089 1.00 0.00 O ATOM 472 CB LYS A 29 104.288 -10.275 -0.020 1.00 0.00 C ATOM 473 CG LYS A 29 105.674 -10.916 -0.143 1.00 0.00 C ATOM 474 CD LYS A 29 106.591 -10.372 0.956 1.00 0.00 C ATOM 475 CE LYS A 29 106.457 -11.242 2.205 1.00 0.00 C ATOM 476 NZ LYS A 29 107.806 -11.711 2.629 1.00 0.00 N ATOM 0 H LYS A 29 104.246 -10.756 2.438 1.00 0.00 H new ATOM 0 HA LYS A 29 102.274 -10.880 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 29 103.938 -9.965 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.353 -9.376 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.593 -12.000 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.099 -10.702 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 29 107.625 -10.367 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 106.327 -9.340 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 29 105.988 -10.674 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 29 105.811 -12.096 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 107.716 -12.303 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 108.237 -12.267 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.408 -10.890 2.841 1.00 0.00 H new ATOM 490 N GLU A 30 104.094 -13.544 0.635 1.00 0.00 N ATOM 491 CA GLU A 30 104.231 -14.915 0.069 1.00 0.00 C ATOM 492 C GLU A 30 102.829 -15.471 -0.182 1.00 0.00 C ATOM 493 O GLU A 30 102.557 -16.060 -1.209 1.00 0.00 O ATOM 494 CB GLU A 30 104.982 -15.813 1.058 1.00 0.00 C ATOM 495 CG GLU A 30 104.073 -16.153 2.242 1.00 0.00 C ATOM 496 CD GLU A 30 104.829 -17.053 3.222 1.00 0.00 C ATOM 497 OE1 GLU A 30 105.483 -16.519 4.102 1.00 0.00 O ATOM 498 OE2 GLU A 30 104.739 -18.261 3.077 1.00 0.00 O ATOM 0 H GLU A 30 104.556 -13.391 1.531 1.00 0.00 H new ATOM 0 HA GLU A 30 104.793 -14.883 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.304 -16.728 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.881 -15.308 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.753 -15.239 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.172 -16.656 1.890 1.00 0.00 H new ATOM 505 N LYS A 31 101.933 -15.264 0.745 1.00 0.00 N ATOM 506 CA LYS A 31 100.538 -15.751 0.562 1.00 0.00 C ATOM 507 C LYS A 31 99.677 -14.596 0.041 1.00 0.00 C ATOM 508 O LYS A 31 98.519 -14.771 -0.282 1.00 0.00 O ATOM 509 CB LYS A 31 99.986 -16.241 1.902 1.00 0.00 C ATOM 510 CG LYS A 31 100.098 -17.766 1.973 1.00 0.00 C ATOM 511 CD LYS A 31 98.908 -18.402 1.252 1.00 0.00 C ATOM 512 CE LYS A 31 97.609 -17.994 1.951 1.00 0.00 C ATOM 513 NZ LYS A 31 96.497 -18.875 1.495 1.00 0.00 N ATOM 0 H LYS A 31 102.109 -14.777 1.624 1.00 0.00 H new ATOM 0 HA LYS A 31 100.523 -16.575 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.540 -15.786 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.945 -15.937 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 31 101.031 -18.094 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.122 -18.091 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.888 -18.083 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.008 -19.487 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 31 97.727 -18.070 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 31 97.376 -16.953 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 95.615 -18.596 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 96.379 -18.781 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 96.719 -19.864 1.729 1.00 0.00 H new ATOM 527 N LYS A 32 100.246 -13.418 -0.049 1.00 0.00 N ATOM 528 CA LYS A 32 99.489 -12.236 -0.557 1.00 0.00 C ATOM 529 C LYS A 32 98.649 -11.617 0.562 1.00 0.00 C ATOM 530 O LYS A 32 97.511 -11.250 0.357 1.00 0.00 O ATOM 531 CB LYS A 32 98.570 -12.664 -1.705 1.00 0.00 C ATOM 532 CG LYS A 32 98.661 -11.643 -2.841 1.00 0.00 C ATOM 533 CD LYS A 32 99.482 -12.230 -3.990 1.00 0.00 C ATOM 534 CE LYS A 32 100.802 -12.780 -3.447 1.00 0.00 C ATOM 535 NZ LYS A 32 101.653 -13.235 -4.583 1.00 0.00 N ATOM 0 H LYS A 32 101.213 -13.226 0.211 1.00 0.00 H new ATOM 0 HA LYS A 32 100.203 -11.494 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.857 -13.652 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 32 97.542 -12.740 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.662 -11.382 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.124 -10.724 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 32 98.921 -13.024 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 32 99.677 -11.464 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.321 -12.011 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.611 -13.610 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 102.551 -13.609 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.157 -13.981 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 101.845 -12.432 -5.216 1.00 0.00 H new ATOM 549 N ILE A 33 99.198 -11.475 1.738 1.00 0.00 N ATOM 550 CA ILE A 33 98.411 -10.855 2.843 1.00 0.00 C ATOM 551 C ILE A 33 98.907 -9.437 3.086 1.00 0.00 C ATOM 552 O ILE A 33 100.065 -9.221 3.382 1.00 0.00 O ATOM 553 CB ILE A 33 98.575 -11.649 4.131 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.136 -13.097 3.906 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.705 -11.000 5.210 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.316 -13.905 3.360 1.00 0.00 C ATOM 0 H ILE A 33 100.147 -11.758 1.980 1.00 0.00 H new ATOM 0 HA ILE A 33 97.360 -10.849 2.553 1.00 0.00 H new ATOM 0 HB ILE A 33 99.619 -11.648 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.785 -13.532 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.302 -13.131 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.808 -11.555 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.024 -9.969 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.662 -11.013 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 33 99.006 -14.938 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.646 -13.473 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.137 -13.880 4.077 1.00 0.00 H new ATOM 568 N PHE A 34 98.048 -8.466 2.977 1.00 0.00 N ATOM 569 CA PHE A 34 98.499 -7.072 3.213 1.00 0.00 C ATOM 570 C PHE A 34 97.544 -6.370 4.180 1.00 0.00 C ATOM 571 O PHE A 34 96.344 -6.369 3.998 1.00 0.00 O ATOM 572 CB PHE A 34 98.538 -6.317 1.881 1.00 0.00 C ATOM 573 CG PHE A 34 97.128 -6.015 1.424 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.484 -4.853 1.866 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.466 -6.894 0.557 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.180 -4.571 1.444 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.162 -6.610 0.133 1.00 0.00 C ATOM 578 CZ PHE A 34 94.519 -5.448 0.577 1.00 0.00 C ATOM 0 H PHE A 34 97.063 -8.576 2.737 1.00 0.00 H new ATOM 0 HA PHE A 34 99.497 -7.086 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.100 -5.390 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.054 -6.914 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.994 -4.174 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 34 96.961 -7.791 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.683 -3.676 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.652 -7.287 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.513 -5.229 0.250 1.00 0.00 H new ATOM 588 N GLN A 35 98.078 -5.769 5.208 1.00 0.00 N ATOM 589 CA GLN A 35 97.222 -5.058 6.197 1.00 0.00 C ATOM 590 C GLN A 35 97.343 -3.553 5.972 1.00 0.00 C ATOM 591 O GLN A 35 98.429 -3.014 5.888 1.00 0.00 O ATOM 592 CB GLN A 35 97.692 -5.409 7.614 1.00 0.00 C ATOM 593 CG GLN A 35 97.161 -4.392 8.628 1.00 0.00 C ATOM 594 CD GLN A 35 97.866 -4.603 9.969 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.484 -5.461 10.741 1.00 0.00 O ATOM 596 NE2 GLN A 35 98.886 -3.852 10.283 1.00 0.00 N ATOM 0 H GLN A 35 99.078 -5.740 5.406 1.00 0.00 H new ATOM 0 HA GLN A 35 96.182 -5.361 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.348 -6.408 7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.781 -5.428 7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.334 -3.378 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.084 -4.508 8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.207 -3.132 9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.362 -3.985 11.175 1.00 0.00 H new ATOM 605 N ILE A 36 96.237 -2.870 5.891 1.00 0.00 N ATOM 606 CA ILE A 36 96.286 -1.391 5.692 1.00 0.00 C ATOM 607 C ILE A 36 95.871 -0.739 7.015 1.00 0.00 C ATOM 608 O ILE A 36 95.108 -1.320 7.745 1.00 0.00 O ATOM 609 CB ILE A 36 95.292 -1.007 4.583 1.00 0.00 C ATOM 610 CG1 ILE A 36 95.888 -1.343 3.216 1.00 0.00 C ATOM 611 CG2 ILE A 36 94.974 0.492 4.626 1.00 0.00 C ATOM 612 CD1 ILE A 36 94.773 -1.328 2.171 1.00 0.00 C ATOM 0 H ILE A 36 95.300 -3.269 5.954 1.00 0.00 H new ATOM 0 HA ILE A 36 97.283 -1.060 5.403 1.00 0.00 H new ATOM 0 HB ILE A 36 94.373 -1.571 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 36 96.660 -0.620 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.365 -2.323 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.269 0.737 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.535 0.743 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 95.892 1.063 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.189 -1.567 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.017 -2.068 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.317 -0.339 2.140 1.00 0.00 H new ATOM 624 N PRO A 37 96.385 0.435 7.294 1.00 0.00 N ATOM 625 CA PRO A 37 96.058 1.163 8.539 1.00 0.00 C ATOM 626 C PRO A 37 94.712 1.887 8.419 1.00 0.00 C ATOM 627 O PRO A 37 93.898 1.819 9.317 1.00 0.00 O ATOM 628 CB PRO A 37 97.201 2.148 8.687 1.00 0.00 C ATOM 629 CG PRO A 37 97.794 2.348 7.267 1.00 0.00 C ATOM 630 CD PRO A 37 97.346 1.138 6.423 1.00 0.00 C ATOM 0 HA PRO A 37 95.956 0.503 9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.848 3.094 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 37 97.957 1.766 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.438 3.279 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.881 2.410 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 37 96.882 1.453 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.189 0.499 6.161 1.00 0.00 H new ATOM 638 N TRP A 38 94.452 2.543 7.314 1.00 0.00 N ATOM 639 CA TRP A 38 93.127 3.228 7.130 1.00 0.00 C ATOM 640 C TRP A 38 93.043 4.547 7.912 1.00 0.00 C ATOM 641 O TRP A 38 92.394 5.478 7.481 1.00 0.00 O ATOM 642 CB TRP A 38 92.013 2.282 7.585 1.00 0.00 C ATOM 643 CG TRP A 38 92.240 0.974 6.913 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.012 -0.030 7.382 1.00 0.00 C ATOM 645 CD2 TRP A 38 91.725 0.529 5.635 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.016 -1.055 6.454 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.226 -0.760 5.369 1.00 0.00 C ATOM 648 CE3 TRP A 38 90.878 1.119 4.693 1.00 0.00 C ATOM 649 CZ2 TRP A 38 91.901 -1.440 4.203 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.542 0.443 3.519 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.055 -0.837 3.272 1.00 0.00 C ATOM 0 H TRP A 38 95.098 2.636 6.530 1.00 0.00 H new ATOM 0 HA TRP A 38 93.014 3.472 6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.027 2.165 8.669 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.035 2.685 7.321 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.539 -0.032 8.325 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.541 -1.923 6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.480 2.106 4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.299 -2.427 4.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 89.885 0.908 2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 38 90.796 -1.357 2.361 1.00 0.00 H new ATOM 662 N MET A 39 93.668 4.645 9.052 1.00 0.00 N ATOM 663 CA MET A 39 93.578 5.917 9.825 1.00 0.00 C ATOM 664 C MET A 39 92.105 6.207 10.124 1.00 0.00 C ATOM 665 O MET A 39 91.429 6.880 9.370 1.00 0.00 O ATOM 666 CB MET A 39 94.170 7.062 8.998 1.00 0.00 C ATOM 667 CG MET A 39 93.894 8.399 9.692 1.00 0.00 C ATOM 668 SD MET A 39 93.873 9.725 8.460 1.00 0.00 S ATOM 669 CE MET A 39 92.332 9.247 7.640 1.00 0.00 C ATOM 0 H MET A 39 94.231 3.909 9.479 1.00 0.00 H new ATOM 0 HA MET A 39 94.135 5.826 10.758 1.00 0.00 H new ATOM 0 HB2 MET A 39 95.244 6.919 8.878 1.00 0.00 H new ATOM 0 HB3 MET A 39 93.735 7.064 7.999 1.00 0.00 H new ATOM 0 HG2 MET A 39 92.939 8.359 10.215 1.00 0.00 H new ATOM 0 HG3 MET A 39 94.660 8.597 10.442 1.00 0.00 H new ATOM 0 HE1 MET A 39 91.952 10.089 7.061 1.00 0.00 H new ATOM 0 HE2 MET A 39 92.520 8.404 6.975 1.00 0.00 H new ATOM 0 HE3 MET A 39 91.595 8.960 8.390 1.00 0.00 H new ATOM 679 N HIS A 40 91.599 5.701 11.215 1.00 0.00 N ATOM 680 CA HIS A 40 90.168 5.942 11.556 1.00 0.00 C ATOM 681 C HIS A 40 89.939 7.434 11.812 1.00 0.00 C ATOM 682 O HIS A 40 90.359 7.974 12.816 1.00 0.00 O ATOM 683 CB HIS A 40 89.808 5.147 12.813 1.00 0.00 C ATOM 684 CG HIS A 40 89.336 3.776 12.418 1.00 0.00 C ATOM 685 ND1 HIS A 40 88.026 3.363 12.603 1.00 0.00 N ATOM 686 CD2 HIS A 40 89.986 2.713 11.842 1.00 0.00 C ATOM 687 CE1 HIS A 40 87.931 2.100 12.147 1.00 0.00 C ATOM 688 NE2 HIS A 40 89.098 1.655 11.672 1.00 0.00 N ATOM 0 H HIS A 40 92.115 5.131 11.885 1.00 0.00 H new ATOM 0 HA HIS A 40 89.539 5.621 10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 40 90.675 5.070 13.469 1.00 0.00 H new ATOM 0 HB3 HIS A 40 89.029 5.664 13.373 1.00 0.00 H new ATOM 0 HD2 HIS A 40 91.029 2.700 11.563 1.00 0.00 H new ATOM 0 HE1 HIS A 40 87.022 1.517 12.163 1.00 0.00 H new ATOM 0 HE2 HIS A 40 89.295 0.738 11.271 1.00 0.00 H new ATOM 696 N ALA A 41 89.265 8.100 10.910 1.00 0.00 N ATOM 697 CA ALA A 41 88.994 9.556 11.093 1.00 0.00 C ATOM 698 C ALA A 41 90.234 10.251 11.660 1.00 0.00 C ATOM 699 O ALA A 41 90.185 10.858 12.712 1.00 0.00 O ATOM 700 CB ALA A 41 87.822 9.734 12.063 1.00 0.00 C ATOM 0 H ALA A 41 88.890 7.696 10.052 1.00 0.00 H new ATOM 0 HA ALA A 41 88.746 10.000 10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 41 87.621 10.797 12.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 86.936 9.246 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 41 88.074 9.286 13.024 1.00 0.00 H new ATOM 706 N ALA A 42 91.344 10.169 10.975 1.00 0.00 N ATOM 707 CA ALA A 42 92.583 10.826 11.482 1.00 0.00 C ATOM 708 C ALA A 42 92.709 10.583 12.983 1.00 0.00 C ATOM 709 O ALA A 42 92.739 11.510 13.768 1.00 0.00 O ATOM 710 CB ALA A 42 92.517 12.331 11.222 1.00 0.00 C ATOM 0 H ALA A 42 91.446 9.676 10.088 1.00 0.00 H new ATOM 0 HA ALA A 42 93.446 10.406 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 42 93.425 12.805 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 42 92.427 12.512 10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 42 91.652 12.751 11.735 1.00 0.00 H new ATOM 716 N ARG A 43 92.794 9.348 13.393 1.00 0.00 N ATOM 717 CA ARG A 43 92.937 9.073 14.845 1.00 0.00 C ATOM 718 C ARG A 43 94.221 9.747 15.315 1.00 0.00 C ATOM 719 O ARG A 43 95.295 9.183 15.230 1.00 0.00 O ATOM 720 CB ARG A 43 93.026 7.565 15.083 1.00 0.00 C ATOM 721 CG ARG A 43 93.224 7.298 16.576 1.00 0.00 C ATOM 722 CD ARG A 43 92.477 6.024 16.971 1.00 0.00 C ATOM 723 NE ARG A 43 93.462 4.966 17.336 1.00 0.00 N ATOM 724 CZ ARG A 43 93.081 3.922 18.023 1.00 0.00 C ATOM 725 NH1 ARG A 43 91.835 3.797 18.392 1.00 0.00 N ATOM 726 NH2 ARG A 43 93.951 3.004 18.345 1.00 0.00 N ATOM 0 H ARG A 43 92.771 8.526 12.790 1.00 0.00 H new ATOM 0 HA ARG A 43 92.077 9.457 15.395 1.00 0.00 H new ATOM 0 HB2 ARG A 43 92.117 7.076 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 93.855 7.144 14.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 94.286 7.194 16.800 1.00 0.00 H new ATOM 0 HG3 ARG A 43 92.857 8.143 17.159 1.00 0.00 H new ATOM 0 HD2 ARG A 43 91.813 6.224 17.812 1.00 0.00 H new ATOM 0 HD3 ARG A 43 91.852 5.685 16.145 1.00 0.00 H new ATOM 0 HE ARG A 43 94.436 5.057 17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 43 91.155 4.516 18.144 1.00 0.00 H new ATOM 0 HH12 ARG A 43 91.541 2.981 18.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 94.926 3.103 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 43 93.656 2.188 18.881 1.00 0.00 H new ATOM 740 N HIS A 44 94.125 10.964 15.770 1.00 0.00 N ATOM 741 CA HIS A 44 95.346 11.691 16.207 1.00 0.00 C ATOM 742 C HIS A 44 96.236 11.930 14.983 1.00 0.00 C ATOM 743 O HIS A 44 97.380 12.322 15.099 1.00 0.00 O ATOM 744 CB HIS A 44 96.104 10.860 17.235 1.00 0.00 C ATOM 745 CG HIS A 44 95.716 11.324 18.604 1.00 0.00 C ATOM 746 ND1 HIS A 44 96.652 11.647 19.570 1.00 0.00 N ATOM 747 CD2 HIS A 44 94.490 11.546 19.177 1.00 0.00 C ATOM 748 CE1 HIS A 44 95.981 12.047 20.662 1.00 0.00 C ATOM 749 NE2 HIS A 44 94.659 12.004 20.479 1.00 0.00 N ATOM 0 H HIS A 44 93.253 11.486 15.858 1.00 0.00 H new ATOM 0 HA HIS A 44 95.068 12.642 16.660 1.00 0.00 H new ATOM 0 HB2 HIS A 44 95.870 9.802 17.114 1.00 0.00 H new ATOM 0 HB3 HIS A 44 97.179 10.967 17.090 1.00 0.00 H new ATOM 0 HD2 HIS A 44 93.538 11.389 18.691 1.00 0.00 H new ATOM 0 HE1 HIS A 44 96.454 12.366 21.579 1.00 0.00 H new ATOM 0 HE2 HIS A 44 93.931 12.253 21.149 1.00 0.00 H new ATOM 757 N GLY A 45 95.716 11.684 13.805 1.00 0.00 N ATOM 758 CA GLY A 45 96.526 11.883 12.573 1.00 0.00 C ATOM 759 C GLY A 45 95.709 12.633 11.514 1.00 0.00 C ATOM 760 O GLY A 45 95.433 12.119 10.449 1.00 0.00 O ATOM 0 H GLY A 45 94.764 11.354 13.648 1.00 0.00 H new ATOM 0 HA2 GLY A 45 97.429 12.445 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 45 96.845 10.918 12.180 1.00 0.00 H new ATOM 764 N TRP A 46 95.344 13.854 11.792 1.00 0.00 N ATOM 765 CA TRP A 46 94.568 14.659 10.788 1.00 0.00 C ATOM 766 C TRP A 46 95.554 15.533 10.035 1.00 0.00 C ATOM 767 O TRP A 46 95.217 16.577 9.512 1.00 0.00 O ATOM 768 CB TRP A 46 93.540 15.571 11.468 1.00 0.00 C ATOM 769 CG TRP A 46 93.672 15.459 12.940 1.00 0.00 C ATOM 770 CD1 TRP A 46 94.623 16.056 13.683 1.00 0.00 C ATOM 771 CD2 TRP A 46 92.853 14.693 13.851 1.00 0.00 C ATOM 772 NE1 TRP A 46 94.444 15.694 14.999 1.00 0.00 N ATOM 773 CE2 TRP A 46 93.353 14.859 15.158 1.00 0.00 C ATOM 774 CE3 TRP A 46 91.732 13.881 13.659 1.00 0.00 C ATOM 775 CZ2 TRP A 46 92.754 14.233 16.252 1.00 0.00 C ATOM 776 CZ3 TRP A 46 91.120 13.246 14.752 1.00 0.00 C ATOM 777 CH2 TRP A 46 91.630 13.423 16.049 1.00 0.00 C ATOM 0 H TRP A 46 95.546 14.335 12.669 1.00 0.00 H new ATOM 0 HA TRP A 46 94.035 13.976 10.126 1.00 0.00 H new ATOM 0 HB2 TRP A 46 93.693 16.604 11.157 1.00 0.00 H new ATOM 0 HB3 TRP A 46 92.532 15.292 11.161 1.00 0.00 H new ATOM 0 HD1 TRP A 46 95.397 16.710 13.309 1.00 0.00 H new ATOM 0 HE1 TRP A 46 95.043 16.004 15.764 1.00 0.00 H new ATOM 0 HE3 TRP A 46 91.334 13.741 12.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 93.154 14.372 17.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 90.254 12.620 14.595 1.00 0.00 H new ATOM 0 HH2 TRP A 46 91.156 12.935 16.888 1.00 0.00 H new ATOM 788 N ASP A 47 96.779 15.115 10.007 1.00 0.00 N ATOM 789 CA ASP A 47 97.835 15.907 9.327 1.00 0.00 C ATOM 790 C ASP A 47 99.176 15.222 9.570 1.00 0.00 C ATOM 791 O ASP A 47 100.186 15.861 9.791 1.00 0.00 O ATOM 792 CB ASP A 47 97.860 17.314 9.932 1.00 0.00 C ATOM 793 CG ASP A 47 98.296 18.321 8.866 1.00 0.00 C ATOM 794 OD1 ASP A 47 99.372 18.146 8.318 1.00 0.00 O ATOM 795 OD2 ASP A 47 97.545 19.249 8.614 1.00 0.00 O ATOM 0 H ASP A 47 97.102 14.246 10.432 1.00 0.00 H new ATOM 0 HA ASP A 47 97.640 15.975 8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 47 96.872 17.575 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 47 98.546 17.345 10.779 1.00 0.00 H new ATOM 800 N VAL A 48 99.182 13.919 9.554 1.00 0.00 N ATOM 801 CA VAL A 48 100.441 13.170 9.808 1.00 0.00 C ATOM 802 C VAL A 48 100.728 12.220 8.648 1.00 0.00 C ATOM 803 O VAL A 48 101.262 11.145 8.835 1.00 0.00 O ATOM 804 CB VAL A 48 100.275 12.366 11.094 1.00 0.00 C ATOM 805 CG1 VAL A 48 101.647 12.019 11.668 1.00 0.00 C ATOM 806 CG2 VAL A 48 99.486 13.196 12.108 1.00 0.00 C ATOM 0 H VAL A 48 98.363 13.338 9.375 1.00 0.00 H new ATOM 0 HA VAL A 48 101.272 13.869 9.903 1.00 0.00 H new ATOM 0 HB VAL A 48 99.737 11.443 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 48 101.523 11.445 12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 48 102.206 11.427 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 48 102.193 12.937 11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 99.365 12.626 13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 48 100.025 14.119 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 48 98.505 13.435 11.698 1.00 0.00 H new ATOM 816 N GLU A 49 100.383 12.614 7.456 1.00 0.00 N ATOM 817 CA GLU A 49 100.633 11.744 6.269 1.00 0.00 C ATOM 818 C GLU A 49 100.370 10.278 6.625 1.00 0.00 C ATOM 819 O GLU A 49 100.951 9.379 6.048 1.00 0.00 O ATOM 820 CB GLU A 49 102.088 11.900 5.827 1.00 0.00 C ATOM 821 CG GLU A 49 103.005 11.294 6.890 1.00 0.00 C ATOM 822 CD GLU A 49 104.450 11.311 6.388 1.00 0.00 C ATOM 823 OE1 GLU A 49 104.637 11.414 5.186 1.00 0.00 O ATOM 824 OE2 GLU A 49 105.344 11.222 7.212 1.00 0.00 O ATOM 0 H GLU A 49 99.935 13.507 7.249 1.00 0.00 H new ATOM 0 HA GLU A 49 99.964 12.042 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.245 11.404 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 49 102.326 12.954 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.925 11.859 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.698 10.272 7.111 1.00 0.00 H new ATOM 831 N LYS A 50 99.500 10.023 7.565 1.00 0.00 N ATOM 832 CA LYS A 50 99.211 8.611 7.943 1.00 0.00 C ATOM 833 C LYS A 50 98.779 7.853 6.701 1.00 0.00 C ATOM 834 O LYS A 50 99.355 6.852 6.326 1.00 0.00 O ATOM 835 CB LYS A 50 98.064 8.568 8.947 1.00 0.00 C ATOM 836 CG LYS A 50 98.615 8.659 10.371 1.00 0.00 C ATOM 837 CD LYS A 50 97.535 8.225 11.364 1.00 0.00 C ATOM 838 CE LYS A 50 97.916 6.879 11.982 1.00 0.00 C ATOM 839 NZ LYS A 50 96.679 6.136 12.358 1.00 0.00 N ATOM 0 H LYS A 50 98.979 10.729 8.085 1.00 0.00 H new ATOM 0 HA LYS A 50 100.104 8.166 8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.375 9.392 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.497 7.645 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.495 8.024 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 50 98.932 9.680 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 50 97.423 8.976 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.573 8.145 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.503 6.295 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.541 7.035 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.935 5.295 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.063 6.752 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.175 5.842 11.497 1.00 0.00 H new ATOM 853 N ASP A 51 97.756 8.334 6.068 1.00 0.00 N ATOM 854 CA ASP A 51 97.253 7.664 4.849 1.00 0.00 C ATOM 855 C ASP A 51 97.154 8.691 3.722 1.00 0.00 C ATOM 856 O ASP A 51 96.294 8.613 2.874 1.00 0.00 O ATOM 857 CB ASP A 51 95.871 7.074 5.129 1.00 0.00 C ATOM 858 CG ASP A 51 96.015 5.852 6.038 1.00 0.00 C ATOM 859 OD1 ASP A 51 97.110 5.627 6.526 1.00 0.00 O ATOM 860 OD2 ASP A 51 95.027 5.162 6.233 1.00 0.00 O ATOM 0 H ASP A 51 97.242 9.170 6.345 1.00 0.00 H new ATOM 0 HA ASP A 51 97.934 6.864 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.234 7.821 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.388 6.791 4.194 1.00 0.00 H new ATOM 865 N ALA A 52 98.023 9.668 3.726 1.00 0.00 N ATOM 866 CA ALA A 52 97.986 10.721 2.671 1.00 0.00 C ATOM 867 C ALA A 52 98.873 10.400 1.435 1.00 0.00 C ATOM 868 O ALA A 52 98.709 11.047 0.419 1.00 0.00 O ATOM 869 CB ALA A 52 98.444 12.047 3.279 1.00 0.00 C ATOM 0 H ALA A 52 98.762 9.781 4.420 1.00 0.00 H new ATOM 0 HA ALA A 52 96.957 10.773 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 52 98.421 12.825 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.778 12.322 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.460 11.941 3.659 1.00 0.00 H new ATOM 875 N PRO A 53 99.797 9.453 1.520 1.00 0.00 N ATOM 876 CA PRO A 53 100.674 9.145 0.371 1.00 0.00 C ATOM 877 C PRO A 53 99.917 8.387 -0.725 1.00 0.00 C ATOM 878 O PRO A 53 99.308 8.985 -1.590 1.00 0.00 O ATOM 879 CB PRO A 53 101.795 8.297 0.979 1.00 0.00 C ATOM 880 CG PRO A 53 101.232 7.707 2.289 1.00 0.00 C ATOM 881 CD PRO A 53 100.057 8.610 2.708 1.00 0.00 C ATOM 0 HA PRO A 53 101.053 10.042 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.098 7.505 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.679 8.904 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.898 6.680 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.998 7.683 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.180 8.021 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.312 9.216 3.577 1.00 0.00 H new ATOM 889 N LEU A 54 99.958 7.084 -0.717 1.00 0.00 N ATOM 890 CA LEU A 54 99.247 6.321 -1.785 1.00 0.00 C ATOM 891 C LEU A 54 97.770 6.724 -1.843 1.00 0.00 C ATOM 892 O LEU A 54 97.089 6.465 -2.816 1.00 0.00 O ATOM 893 CB LEU A 54 99.404 4.808 -1.562 1.00 0.00 C ATOM 894 CG LEU A 54 98.620 4.318 -0.336 1.00 0.00 C ATOM 895 CD1 LEU A 54 98.913 5.191 0.882 1.00 0.00 C ATOM 896 CD2 LEU A 54 97.120 4.336 -0.621 1.00 0.00 C ATOM 0 H LEU A 54 100.448 6.517 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 54 99.698 6.566 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 54 99.060 4.274 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 54 100.460 4.569 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 54 98.937 3.297 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 54 98.346 4.824 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 54 99.978 5.153 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 54 98.624 6.220 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 54 96.578 3.986 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.807 5.353 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 54 96.902 3.682 -1.466 1.00 0.00 H new ATOM 908 N PHE A 55 97.272 7.390 -0.842 1.00 0.00 N ATOM 909 CA PHE A 55 95.858 7.841 -0.895 1.00 0.00 C ATOM 910 C PHE A 55 95.834 9.052 -1.816 1.00 0.00 C ATOM 911 O PHE A 55 94.993 9.177 -2.683 1.00 0.00 O ATOM 912 CB PHE A 55 95.402 8.249 0.504 1.00 0.00 C ATOM 913 CG PHE A 55 94.002 8.817 0.455 1.00 0.00 C ATOM 914 CD1 PHE A 55 93.206 8.642 -0.683 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.503 9.522 1.556 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.913 9.173 -0.719 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.210 10.053 1.521 1.00 0.00 C ATOM 918 CZ PHE A 55 91.414 9.880 0.383 1.00 0.00 C ATOM 0 H PHE A 55 97.780 7.640 0.006 1.00 0.00 H new ATOM 0 HA PHE A 55 95.196 7.053 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.428 7.385 1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 55 96.088 8.989 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.590 8.097 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.117 9.656 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 55 91.298 9.038 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 55 91.826 10.596 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.416 10.291 0.354 1.00 0.00 H new ATOM 928 N ARG A 56 96.795 9.923 -1.655 1.00 0.00 N ATOM 929 CA ARG A 56 96.884 11.105 -2.545 1.00 0.00 C ATOM 930 C ARG A 56 97.333 10.613 -3.923 1.00 0.00 C ATOM 931 O ARG A 56 97.297 11.337 -4.898 1.00 0.00 O ATOM 932 CB ARG A 56 97.903 12.102 -1.984 1.00 0.00 C ATOM 933 CG ARG A 56 97.859 13.395 -2.804 1.00 0.00 C ATOM 934 CD ARG A 56 96.520 14.105 -2.585 1.00 0.00 C ATOM 935 NE ARG A 56 96.660 15.109 -1.491 1.00 0.00 N ATOM 936 CZ ARG A 56 97.336 16.208 -1.690 1.00 0.00 C ATOM 937 NH1 ARG A 56 97.896 16.435 -2.849 1.00 0.00 N ATOM 938 NH2 ARG A 56 97.454 17.083 -0.729 1.00 0.00 N ATOM 0 H ARG A 56 97.522 9.862 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 56 95.919 11.608 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.682 12.315 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.904 11.672 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 56 98.680 14.050 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.992 13.170 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 56 96.202 14.596 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 56 95.749 13.378 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 56 96.226 14.936 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 56 97.806 15.752 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 56 98.423 17.295 -3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 56 97.018 16.908 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 56 97.982 17.942 -0.883 1.00 0.00 H new ATOM 952 N ASN A 57 97.719 9.360 -4.008 1.00 0.00 N ATOM 953 CA ASN A 57 98.129 8.782 -5.309 1.00 0.00 C ATOM 954 C ASN A 57 96.852 8.497 -6.116 1.00 0.00 C ATOM 955 O ASN A 57 96.895 7.999 -7.218 1.00 0.00 O ATOM 956 CB ASN A 57 98.915 7.487 -5.040 1.00 0.00 C ATOM 957 CG ASN A 57 98.635 6.461 -6.132 1.00 0.00 C ATOM 958 OD1 ASN A 57 99.322 6.402 -7.132 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.637 5.649 -5.970 1.00 0.00 N ATOM 0 H ASN A 57 97.764 8.715 -3.219 1.00 0.00 H new ATOM 0 HA ASN A 57 98.767 9.463 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.983 7.703 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.636 7.079 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.424 4.954 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.065 5.705 -5.127 1.00 0.00 H new ATOM 966 N TRP A 58 95.712 8.799 -5.549 1.00 0.00 N ATOM 967 CA TRP A 58 94.418 8.550 -6.243 1.00 0.00 C ATOM 968 C TRP A 58 94.237 9.508 -7.432 1.00 0.00 C ATOM 969 O TRP A 58 94.615 9.212 -8.548 1.00 0.00 O ATOM 970 CB TRP A 58 93.281 8.781 -5.244 1.00 0.00 C ATOM 971 CG TRP A 58 92.848 7.482 -4.644 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.680 7.290 -3.994 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.545 6.201 -4.616 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.606 5.974 -3.581 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.732 5.264 -3.938 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.787 5.763 -5.107 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.134 3.943 -3.757 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.193 4.432 -4.923 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.370 3.525 -4.249 1.00 0.00 C ATOM 0 H TRP A 58 95.625 9.213 -4.621 1.00 0.00 H new ATOM 0 HA TRP A 58 94.409 7.527 -6.618 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.610 9.461 -4.458 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.438 9.257 -5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.925 8.044 -3.824 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.815 5.577 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.432 6.454 -5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.492 3.246 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.149 4.106 -5.305 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.691 2.503 -4.110 1.00 0.00 H new ATOM 990 N ALA A 59 93.629 10.642 -7.196 1.00 0.00 N ATOM 991 CA ALA A 59 93.374 11.624 -8.292 1.00 0.00 C ATOM 992 C ALA A 59 94.569 11.738 -9.247 1.00 0.00 C ATOM 993 O ALA A 59 94.414 12.119 -10.390 1.00 0.00 O ATOM 994 CB ALA A 59 93.092 12.995 -7.674 1.00 0.00 C ATOM 0 H ALA A 59 93.294 10.933 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 59 92.518 11.274 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.904 13.720 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.217 12.930 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.954 13.314 -7.087 1.00 0.00 H new ATOM 1000 N ILE A 60 95.756 11.434 -8.805 1.00 0.00 N ATOM 1001 CA ILE A 60 96.932 11.558 -9.718 1.00 0.00 C ATOM 1002 C ILE A 60 97.129 10.264 -10.512 1.00 0.00 C ATOM 1003 O ILE A 60 97.255 10.277 -11.720 1.00 0.00 O ATOM 1004 CB ILE A 60 98.187 11.847 -8.893 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.824 12.758 -7.718 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.227 12.544 -9.772 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.139 14.020 -8.245 1.00 0.00 C ATOM 0 H ILE A 60 95.965 11.108 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 60 96.753 12.375 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 60 98.598 10.910 -8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.163 12.234 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.721 13.024 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.121 12.750 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.485 11.898 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.816 13.481 -10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.880 14.670 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.815 14.547 -8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.233 13.744 -8.784 1.00 0.00 H new ATOM 1019 N HIS A 61 97.172 9.150 -9.840 1.00 0.00 N ATOM 1020 CA HIS A 61 97.379 7.851 -10.546 1.00 0.00 C ATOM 1021 C HIS A 61 96.084 7.404 -11.229 1.00 0.00 C ATOM 1022 O HIS A 61 96.031 7.254 -12.433 1.00 0.00 O ATOM 1023 CB HIS A 61 97.808 6.788 -9.531 1.00 0.00 C ATOM 1024 CG HIS A 61 98.040 5.482 -10.236 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.253 5.166 -10.827 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.226 4.397 -10.445 1.00 0.00 C ATOM 1027 CE1 HIS A 61 99.135 3.935 -11.358 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.919 3.422 -11.155 1.00 0.00 N ATOM 0 H HIS A 61 97.073 9.080 -8.827 1.00 0.00 H new ATOM 0 HA HIS A 61 98.153 7.979 -11.303 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.718 7.104 -9.021 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.039 6.669 -8.767 1.00 0.00 H new ATOM 0 HD1 HIS A 61 100.083 5.758 -10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.203 4.313 -10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.928 3.424 -11.884 1.00 0.00 H new ATOM 1036 N THR A 62 95.044 7.177 -10.472 1.00 0.00 N ATOM 1037 CA THR A 62 93.757 6.727 -11.081 1.00 0.00 C ATOM 1038 C THR A 62 93.489 7.511 -12.367 1.00 0.00 C ATOM 1039 O THR A 62 92.917 6.999 -13.308 1.00 0.00 O ATOM 1040 CB THR A 62 92.611 6.961 -10.093 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.335 8.353 -10.014 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.010 6.439 -8.713 1.00 0.00 C ATOM 0 H THR A 62 95.029 7.284 -9.458 1.00 0.00 H new ATOM 0 HA THR A 62 93.825 5.664 -11.315 1.00 0.00 H new ATOM 0 HB THR A 62 91.721 6.432 -10.435 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.097 8.815 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.193 6.606 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.222 5.372 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.899 6.966 -8.368 1.00 0.00 H new ATOM 1050 N GLY A 63 93.898 8.749 -12.418 1.00 0.00 N ATOM 1051 CA GLY A 63 93.666 9.558 -13.648 1.00 0.00 C ATOM 1052 C GLY A 63 92.298 10.238 -13.562 1.00 0.00 C ATOM 1053 O GLY A 63 91.638 10.452 -14.560 1.00 0.00 O ATOM 0 H GLY A 63 94.382 9.235 -11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.450 10.307 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.711 8.919 -14.530 1.00 0.00 H new ATOM 1057 N LYS A 64 91.868 10.582 -12.380 1.00 0.00 N ATOM 1058 CA LYS A 64 90.544 11.250 -12.236 1.00 0.00 C ATOM 1059 C LYS A 64 90.754 12.700 -11.798 1.00 0.00 C ATOM 1060 O LYS A 64 89.915 13.290 -11.147 1.00 0.00 O ATOM 1061 CB LYS A 64 89.710 10.512 -11.186 1.00 0.00 C ATOM 1062 CG LYS A 64 89.631 9.027 -11.546 1.00 0.00 C ATOM 1063 CD LYS A 64 89.033 8.872 -12.946 1.00 0.00 C ATOM 1064 CE LYS A 64 89.004 7.390 -13.328 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.596 6.899 -13.312 1.00 0.00 N ATOM 0 H LYS A 64 92.375 10.430 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 64 90.019 11.231 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.157 10.634 -10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.708 10.939 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 90.625 8.580 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.018 8.497 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.024 9.284 -12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 89.624 9.433 -13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.438 7.250 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.610 6.812 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.577 5.892 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.197 7.019 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 87.031 7.443 -13.994 1.00 0.00 H new ATOM 1079 N HIS A 65 91.870 13.278 -12.150 1.00 0.00 N ATOM 1080 CA HIS A 65 92.137 14.689 -11.757 1.00 0.00 C ATOM 1081 C HIS A 65 93.600 15.029 -12.055 1.00 0.00 C ATOM 1082 O HIS A 65 94.420 14.161 -12.277 1.00 0.00 O ATOM 1083 CB HIS A 65 91.855 14.863 -10.256 1.00 0.00 C ATOM 1084 CG HIS A 65 92.597 16.064 -9.725 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.148 17.360 -9.924 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.767 16.177 -9.017 1.00 0.00 C ATOM 1087 CE1 HIS A 65 93.038 18.189 -9.346 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.043 17.520 -8.779 1.00 0.00 N ATOM 0 H HIS A 65 92.609 12.832 -12.694 1.00 0.00 H new ATOM 0 HA HIS A 65 91.489 15.358 -12.323 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.784 14.985 -10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.161 13.968 -9.714 1.00 0.00 H new ATOM 0 HD1 HIS A 65 91.299 17.635 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.381 15.349 -8.694 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.949 19.265 -9.342 1.00 0.00 H new ATOM 1096 N GLN A 66 93.928 16.290 -12.048 1.00 0.00 N ATOM 1097 CA GLN A 66 95.330 16.703 -12.318 1.00 0.00 C ATOM 1098 C GLN A 66 95.613 18.009 -11.568 1.00 0.00 C ATOM 1099 O GLN A 66 94.754 18.864 -11.477 1.00 0.00 O ATOM 1100 CB GLN A 66 95.522 16.924 -13.820 1.00 0.00 C ATOM 1101 CG GLN A 66 95.791 15.582 -14.505 1.00 0.00 C ATOM 1102 CD GLN A 66 95.631 15.741 -16.018 1.00 0.00 C ATOM 1103 OE1 GLN A 66 96.604 15.882 -16.731 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.436 15.722 -16.542 1.00 0.00 N ATOM 0 H GLN A 66 93.280 17.056 -11.866 1.00 0.00 H new ATOM 0 HA GLN A 66 96.015 15.925 -11.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.633 17.390 -14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 66 96.354 17.606 -13.994 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.798 15.236 -14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 66 95.099 14.826 -14.133 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.619 15.604 -15.944 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.319 15.826 -17.550 1.00 0.00 H new ATOM 1113 N PRO A 67 96.807 18.124 -11.049 1.00 0.00 N ATOM 1114 CA PRO A 67 97.227 19.318 -10.299 1.00 0.00 C ATOM 1115 C PRO A 67 97.559 20.454 -11.269 1.00 0.00 C ATOM 1116 O PRO A 67 98.516 20.389 -12.013 1.00 0.00 O ATOM 1117 CB PRO A 67 98.475 18.849 -9.547 1.00 0.00 C ATOM 1118 CG PRO A 67 99.020 17.627 -10.325 1.00 0.00 C ATOM 1119 CD PRO A 67 97.850 17.083 -11.166 1.00 0.00 C ATOM 0 HA PRO A 67 96.459 19.704 -9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.221 19.643 -9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.231 18.578 -8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.855 17.915 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.391 16.865 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 67 98.144 16.928 -12.204 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.499 16.123 -10.787 1.00 0.00 H new ATOM 1127 N GLY A 68 96.766 21.490 -11.274 1.00 0.00 N ATOM 1128 CA GLY A 68 97.026 22.621 -12.207 1.00 0.00 C ATOM 1129 C GLY A 68 96.064 22.517 -13.392 1.00 0.00 C ATOM 1130 O GLY A 68 96.224 23.180 -14.397 1.00 0.00 O ATOM 0 H GLY A 68 95.950 21.602 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.890 23.573 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.058 22.592 -12.556 1.00 0.00 H new ATOM 1134 N ILE A 69 95.064 21.683 -13.278 1.00 0.00 N ATOM 1135 CA ILE A 69 94.086 21.525 -14.390 1.00 0.00 C ATOM 1136 C ILE A 69 92.676 21.802 -13.864 1.00 0.00 C ATOM 1137 O ILE A 69 91.961 22.637 -14.382 1.00 0.00 O ATOM 1138 CB ILE A 69 94.156 20.093 -14.925 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.574 19.802 -15.427 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.161 19.926 -16.075 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.815 20.536 -16.749 1.00 0.00 C ATOM 0 H ILE A 69 94.883 21.103 -12.459 1.00 0.00 H new ATOM 0 HA ILE A 69 94.323 22.226 -15.190 1.00 0.00 H new ATOM 0 HB ILE A 69 93.905 19.396 -14.126 1.00 0.00 H new ATOM 0 HG12 ILE A 69 96.305 20.121 -14.684 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.708 18.729 -15.566 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.212 18.906 -16.455 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.152 20.129 -15.716 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.409 20.624 -16.875 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.825 20.327 -17.103 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.093 20.196 -17.491 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.700 21.609 -16.596 1.00 0.00 H new ATOM 1153 N ASP A 70 92.273 21.107 -12.834 1.00 0.00 N ATOM 1154 CA ASP A 70 90.910 21.328 -12.269 1.00 0.00 C ATOM 1155 C ASP A 70 90.968 21.208 -10.745 1.00 0.00 C ATOM 1156 O ASP A 70 92.011 20.965 -10.172 1.00 0.00 O ATOM 1157 CB ASP A 70 89.946 20.276 -12.827 1.00 0.00 C ATOM 1158 CG ASP A 70 88.644 20.954 -13.259 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.362 22.029 -12.756 1.00 0.00 O ATOM 1160 OD2 ASP A 70 87.951 20.386 -14.086 1.00 0.00 O ATOM 0 H ASP A 70 92.829 20.396 -12.359 1.00 0.00 H new ATOM 0 HA ASP A 70 90.559 22.322 -12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.401 19.764 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.740 19.518 -12.071 1.00 0.00 H new ATOM 1165 N LYS A 71 89.855 21.373 -10.083 1.00 0.00 N ATOM 1166 CA LYS A 71 89.853 21.266 -8.596 1.00 0.00 C ATOM 1167 C LYS A 71 90.158 19.820 -8.191 1.00 0.00 C ATOM 1168 O LYS A 71 89.925 18.902 -8.951 1.00 0.00 O ATOM 1169 CB LYS A 71 88.482 21.675 -8.055 1.00 0.00 C ATOM 1170 CG LYS A 71 87.404 20.758 -8.637 1.00 0.00 C ATOM 1171 CD LYS A 71 86.036 21.430 -8.503 1.00 0.00 C ATOM 1172 CE LYS A 71 85.698 22.165 -9.801 1.00 0.00 C ATOM 1173 NZ LYS A 71 85.640 21.188 -10.923 1.00 0.00 N ATOM 0 H LYS A 71 88.949 21.577 -10.506 1.00 0.00 H new ATOM 0 HA LYS A 71 90.614 21.927 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.477 21.614 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.271 22.712 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 87.617 20.548 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 71 87.404 19.802 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 71 85.272 20.683 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.043 22.130 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 84.742 22.679 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.450 22.927 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 84.780 21.354 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.477 21.305 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.622 20.221 -10.541 1.00 0.00 H new ATOM 1187 N PRO A 72 90.679 19.665 -6.999 1.00 0.00 N ATOM 1188 CA PRO A 72 91.038 18.344 -6.454 1.00 0.00 C ATOM 1189 C PRO A 72 89.791 17.606 -5.959 1.00 0.00 C ATOM 1190 O PRO A 72 89.324 16.673 -6.579 1.00 0.00 O ATOM 1191 CB PRO A 72 91.973 18.679 -5.289 1.00 0.00 C ATOM 1192 CG PRO A 72 91.655 20.137 -4.880 1.00 0.00 C ATOM 1193 CD PRO A 72 90.957 20.793 -6.087 1.00 0.00 C ATOM 0 HA PRO A 72 91.500 17.689 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 72 91.813 17.997 -4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.017 18.578 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.011 20.161 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.567 20.674 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.039 21.301 -5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.595 21.540 -6.559 1.00 0.00 H new ATOM 1201 N ASP A 73 89.252 18.014 -4.842 1.00 0.00 N ATOM 1202 CA ASP A 73 88.041 17.332 -4.310 1.00 0.00 C ATOM 1203 C ASP A 73 88.429 15.942 -3.794 1.00 0.00 C ATOM 1204 O ASP A 73 88.223 14.952 -4.467 1.00 0.00 O ATOM 1205 CB ASP A 73 87.004 17.194 -5.428 1.00 0.00 C ATOM 1206 CG ASP A 73 85.682 17.825 -4.982 1.00 0.00 C ATOM 1207 OD1 ASP A 73 85.705 18.975 -4.577 1.00 0.00 O ATOM 1208 OD2 ASP A 73 84.671 17.146 -5.053 1.00 0.00 O ATOM 0 H ASP A 73 89.598 18.789 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 73 87.618 17.918 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.364 17.681 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.853 16.142 -5.670 1.00 0.00 H new ATOM 1213 N PRO A 74 88.985 15.915 -2.609 1.00 0.00 N ATOM 1214 CA PRO A 74 89.424 14.665 -1.963 1.00 0.00 C ATOM 1215 C PRO A 74 88.222 13.907 -1.395 1.00 0.00 C ATOM 1216 O PRO A 74 88.328 12.761 -1.003 1.00 0.00 O ATOM 1217 CB PRO A 74 90.352 15.146 -0.844 1.00 0.00 C ATOM 1218 CG PRO A 74 89.957 16.612 -0.549 1.00 0.00 C ATOM 1219 CD PRO A 74 89.226 17.130 -1.802 1.00 0.00 C ATOM 0 HA PRO A 74 89.917 13.976 -2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.240 14.527 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.396 15.079 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.312 16.671 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.839 17.216 -0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.292 17.627 -1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.832 17.855 -2.345 1.00 0.00 H new ATOM 1227 N LYS A 75 87.076 14.531 -1.355 1.00 0.00 N ATOM 1228 CA LYS A 75 85.871 13.839 -0.819 1.00 0.00 C ATOM 1229 C LYS A 75 85.601 12.589 -1.657 1.00 0.00 C ATOM 1230 O LYS A 75 85.157 11.576 -1.156 1.00 0.00 O ATOM 1231 CB LYS A 75 84.665 14.779 -0.892 1.00 0.00 C ATOM 1232 CG LYS A 75 85.086 16.185 -0.460 1.00 0.00 C ATOM 1233 CD LYS A 75 83.977 16.814 0.387 1.00 0.00 C ATOM 1234 CE LYS A 75 83.164 17.784 -0.474 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.730 17.378 -0.460 1.00 0.00 N ATOM 0 H LYS A 75 86.923 15.489 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 75 86.040 13.555 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.270 14.802 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.866 14.413 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 75 86.013 16.139 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 75 85.283 16.802 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.328 16.037 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.409 17.341 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.269 18.800 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 75 83.543 17.785 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 81.177 18.037 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.638 16.415 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.373 17.399 0.517 1.00 0.00 H new ATOM 1249 N THR A 76 85.875 12.653 -2.931 1.00 0.00 N ATOM 1250 CA THR A 76 85.643 11.469 -3.805 1.00 0.00 C ATOM 1251 C THR A 76 86.861 10.546 -3.735 1.00 0.00 C ATOM 1252 O THR A 76 86.760 9.352 -3.936 1.00 0.00 O ATOM 1253 CB THR A 76 85.438 11.933 -5.248 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.063 13.303 -5.254 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.338 11.097 -5.906 1.00 0.00 C ATOM 0 H THR A 76 86.250 13.475 -3.405 1.00 0.00 H new ATOM 0 HA THR A 76 84.756 10.933 -3.468 1.00 0.00 H new ATOM 0 HB THR A 76 86.366 11.807 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.933 13.603 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.194 11.430 -6.934 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.628 10.046 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.408 11.219 -5.351 1.00 0.00 H new ATOM 1263 N TRP A 77 88.013 11.092 -3.454 1.00 0.00 N ATOM 1264 CA TRP A 77 89.240 10.250 -3.374 1.00 0.00 C ATOM 1265 C TRP A 77 89.085 9.218 -2.252 1.00 0.00 C ATOM 1266 O TRP A 77 89.336 8.044 -2.437 1.00 0.00 O ATOM 1267 CB TRP A 77 90.450 11.141 -3.079 1.00 0.00 C ATOM 1268 CG TRP A 77 90.568 12.196 -4.133 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.754 12.316 -5.208 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.538 13.279 -4.231 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.165 13.402 -5.959 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.260 14.028 -5.399 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.622 13.680 -3.429 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.029 15.135 -5.758 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.399 14.795 -3.789 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.102 15.520 -4.951 1.00 0.00 C ATOM 0 H TRP A 77 88.157 12.086 -3.276 1.00 0.00 H new ATOM 0 HA TRP A 77 89.386 9.734 -4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.342 11.604 -2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.358 10.539 -3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 77 88.921 11.670 -5.441 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.713 13.704 -6.822 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.859 13.128 -2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.796 15.691 -6.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.229 15.094 -3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.702 16.376 -5.222 1.00 0.00 H new ATOM 1287 N LYS A 78 88.680 9.649 -1.087 1.00 0.00 N ATOM 1288 CA LYS A 78 88.517 8.696 0.049 1.00 0.00 C ATOM 1289 C LYS A 78 87.564 7.569 -0.357 1.00 0.00 C ATOM 1290 O LYS A 78 87.751 6.425 0.006 1.00 0.00 O ATOM 1291 CB LYS A 78 87.944 9.439 1.259 1.00 0.00 C ATOM 1292 CG LYS A 78 88.944 9.384 2.417 1.00 0.00 C ATOM 1293 CD LYS A 78 88.341 10.065 3.647 1.00 0.00 C ATOM 1294 CE LYS A 78 87.202 9.207 4.201 1.00 0.00 C ATOM 1295 NZ LYS A 78 85.928 9.979 4.145 1.00 0.00 N ATOM 0 H LYS A 78 88.455 10.621 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 78 89.487 8.272 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 78 87.734 10.476 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.998 8.989 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.193 8.348 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.873 9.879 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.107 10.207 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.969 11.054 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.109 8.288 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 78 87.418 8.915 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 85.153 9.397 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 86.021 10.843 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 85.721 10.236 3.159 1.00 0.00 H new ATOM 1309 N ALA A 79 86.541 7.880 -1.106 1.00 0.00 N ATOM 1310 CA ALA A 79 85.583 6.820 -1.529 1.00 0.00 C ATOM 1311 C ALA A 79 86.222 5.962 -2.622 1.00 0.00 C ATOM 1312 O ALA A 79 85.852 4.824 -2.828 1.00 0.00 O ATOM 1313 CB ALA A 79 84.306 7.467 -2.070 1.00 0.00 C ATOM 0 H ALA A 79 86.328 8.819 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 79 85.336 6.194 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.607 6.690 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.849 8.077 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.551 8.095 -2.926 1.00 0.00 H new ATOM 1319 N ASN A 80 87.180 6.502 -3.323 1.00 0.00 N ATOM 1320 CA ASN A 80 87.847 5.723 -4.401 1.00 0.00 C ATOM 1321 C ASN A 80 88.631 4.563 -3.781 1.00 0.00 C ATOM 1322 O ASN A 80 88.941 3.589 -4.438 1.00 0.00 O ATOM 1323 CB ASN A 80 88.808 6.634 -5.167 1.00 0.00 C ATOM 1324 CG ASN A 80 88.069 7.293 -6.334 1.00 0.00 C ATOM 1325 OD1 ASN A 80 88.681 7.703 -7.300 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.772 7.415 -6.284 1.00 0.00 N ATOM 0 H ASN A 80 87.530 7.452 -3.195 1.00 0.00 H new ATOM 0 HA ASN A 80 87.095 5.330 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.211 7.397 -4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.654 6.056 -5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.271 7.855 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.258 7.071 -5.473 1.00 0.00 H new ATOM 1333 N PHE A 81 88.952 4.661 -2.520 1.00 0.00 N ATOM 1334 CA PHE A 81 89.715 3.565 -1.857 1.00 0.00 C ATOM 1335 C PHE A 81 88.736 2.547 -1.280 1.00 0.00 C ATOM 1336 O PHE A 81 88.975 1.355 -1.303 1.00 0.00 O ATOM 1337 CB PHE A 81 90.568 4.145 -0.727 1.00 0.00 C ATOM 1338 CG PHE A 81 92.008 3.745 -0.931 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.358 2.389 -0.982 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.994 4.728 -1.072 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.693 2.018 -1.178 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.329 4.357 -1.266 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.679 3.001 -1.319 1.00 0.00 C ATOM 0 H PHE A 81 88.719 5.452 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 81 90.362 3.079 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.480 5.231 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.211 3.781 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.598 1.630 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.724 5.773 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.962 0.973 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.090 5.116 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.710 2.715 -1.469 1.00 0.00 H new ATOM 1353 N ARG A 82 87.633 3.007 -0.762 1.00 0.00 N ATOM 1354 CA ARG A 82 86.634 2.072 -0.183 1.00 0.00 C ATOM 1355 C ARG A 82 86.229 1.047 -1.248 1.00 0.00 C ATOM 1356 O ARG A 82 85.810 -0.051 -0.941 1.00 0.00 O ATOM 1357 CB ARG A 82 85.404 2.867 0.266 1.00 0.00 C ATOM 1358 CG ARG A 82 84.316 1.910 0.755 1.00 0.00 C ATOM 1359 CD ARG A 82 84.495 1.656 2.252 1.00 0.00 C ATOM 1360 NE ARG A 82 83.570 2.536 3.021 1.00 0.00 N ATOM 1361 CZ ARG A 82 82.277 2.377 2.919 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.790 1.449 2.140 1.00 0.00 N ATOM 1363 NH2 ARG A 82 81.471 3.143 3.601 1.00 0.00 N ATOM 0 H ARG A 82 87.381 3.994 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 82 87.062 1.553 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.678 3.558 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.027 3.468 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 83.331 2.334 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.371 0.970 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.292 0.610 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 82 85.527 1.852 2.544 1.00 0.00 H new ATOM 0 HE ARG A 82 83.947 3.264 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.419 0.846 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.780 1.327 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 82 81.850 3.865 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 82 80.462 3.020 3.522 1.00 0.00 H new ATOM 1377 N CYS A 83 86.354 1.401 -2.501 1.00 0.00 N ATOM 1378 CA CYS A 83 85.979 0.450 -3.588 1.00 0.00 C ATOM 1379 C CYS A 83 87.101 -0.570 -3.783 1.00 0.00 C ATOM 1380 O CYS A 83 86.857 -1.734 -4.033 1.00 0.00 O ATOM 1381 CB CYS A 83 85.764 1.220 -4.892 1.00 0.00 C ATOM 1382 SG CYS A 83 84.540 2.527 -4.629 1.00 0.00 S ATOM 0 H CYS A 83 86.699 2.307 -2.818 1.00 0.00 H new ATOM 0 HA CYS A 83 85.059 -0.066 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.706 1.652 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.425 0.542 -5.675 1.00 0.00 H new ATOM 0 HG CYS A 83 85.059 3.467 -3.896 1.00 0.00 H new ATOM 1388 N ALA A 84 88.329 -0.147 -3.672 1.00 0.00 N ATOM 1389 CA ALA A 84 89.460 -1.099 -3.850 1.00 0.00 C ATOM 1390 C ALA A 84 89.229 -2.316 -2.954 1.00 0.00 C ATOM 1391 O ALA A 84 89.745 -3.386 -3.198 1.00 0.00 O ATOM 1392 CB ALA A 84 90.772 -0.410 -3.467 1.00 0.00 C ATOM 0 H ALA A 84 88.598 0.815 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 84 89.518 -1.418 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.600 -1.107 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.926 0.460 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.725 -0.092 -2.425 1.00 0.00 H new ATOM 1398 N MET A 85 88.446 -2.166 -1.922 1.00 0.00 N ATOM 1399 CA MET A 85 88.171 -3.319 -1.022 1.00 0.00 C ATOM 1400 C MET A 85 86.935 -4.058 -1.525 1.00 0.00 C ATOM 1401 O MET A 85 86.826 -5.262 -1.419 1.00 0.00 O ATOM 1402 CB MET A 85 87.946 -2.807 0.400 1.00 0.00 C ATOM 1403 CG MET A 85 89.013 -1.758 0.740 1.00 0.00 C ATOM 1404 SD MET A 85 90.634 -2.287 0.113 1.00 0.00 S ATOM 1405 CE MET A 85 91.300 -0.637 -0.207 1.00 0.00 C ATOM 0 H MET A 85 87.985 -1.294 -1.663 1.00 0.00 H new ATOM 0 HA MET A 85 89.018 -4.005 -1.018 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.951 -2.371 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.995 -3.634 1.108 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.741 -0.797 0.303 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.062 -1.614 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.906 -0.659 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.479 0.068 -0.336 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.918 -0.324 0.635 1.00 0.00 H new ATOM 1415 N ASN A 86 86.012 -3.345 -2.099 1.00 0.00 N ATOM 1416 CA ASN A 86 84.798 -4.003 -2.637 1.00 0.00 C ATOM 1417 C ASN A 86 85.163 -4.654 -3.983 1.00 0.00 C ATOM 1418 O ASN A 86 84.326 -5.224 -4.655 1.00 0.00 O ATOM 1419 CB ASN A 86 83.693 -2.942 -2.804 1.00 0.00 C ATOM 1420 CG ASN A 86 82.887 -3.183 -4.083 1.00 0.00 C ATOM 1421 OD1 ASN A 86 81.729 -3.548 -4.028 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.460 -2.991 -5.237 1.00 0.00 N ATOM 0 H ASN A 86 86.047 -2.333 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 86 84.429 -4.775 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.028 -2.966 -1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.140 -1.948 -2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.937 -3.147 -6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 86 84.432 -2.685 -5.279 1.00 0.00 H new ATOM 1429 N SER A 87 86.413 -4.577 -4.375 1.00 0.00 N ATOM 1430 CA SER A 87 86.831 -5.189 -5.661 1.00 0.00 C ATOM 1431 C SER A 87 87.599 -6.468 -5.373 1.00 0.00 C ATOM 1432 O SER A 87 87.587 -6.951 -4.263 1.00 0.00 O ATOM 1433 CB SER A 87 87.711 -4.206 -6.434 1.00 0.00 C ATOM 1434 OG SER A 87 89.046 -4.294 -5.959 1.00 0.00 O ATOM 0 H SER A 87 87.158 -4.114 -3.854 1.00 0.00 H new ATOM 0 HA SER A 87 85.954 -5.423 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.677 -4.431 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 87 87.336 -3.190 -6.311 1.00 0.00 H new ATOM 0 HG SER A 87 89.102 -3.894 -5.066 1.00 0.00 H new ATOM 1440 N LEU A 88 88.252 -7.015 -6.370 1.00 0.00 N ATOM 1441 CA LEU A 88 89.021 -8.288 -6.192 1.00 0.00 C ATOM 1442 C LEU A 88 88.338 -9.162 -5.127 1.00 0.00 C ATOM 1443 O LEU A 88 88.505 -8.946 -3.945 1.00 0.00 O ATOM 1444 CB LEU A 88 90.466 -7.990 -5.756 1.00 0.00 C ATOM 1445 CG LEU A 88 90.770 -6.486 -5.801 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.564 -5.879 -4.411 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.225 -6.277 -6.229 1.00 0.00 C ATOM 0 H LEU A 88 88.285 -6.628 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 88 89.041 -8.816 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.626 -8.364 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.160 -8.522 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 88 90.101 -6.002 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.780 -4.811 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.531 -6.030 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.234 -6.363 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.445 -5.210 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.888 -6.762 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.379 -6.710 -7.217 1.00 0.00 H new ATOM 1459 N PRO A 89 87.576 -10.130 -5.577 1.00 0.00 N ATOM 1460 CA PRO A 89 86.833 -11.033 -4.675 1.00 0.00 C ATOM 1461 C PRO A 89 87.770 -11.979 -3.916 1.00 0.00 C ATOM 1462 O PRO A 89 87.327 -12.855 -3.201 1.00 0.00 O ATOM 1463 CB PRO A 89 85.896 -11.797 -5.618 1.00 0.00 C ATOM 1464 CG PRO A 89 86.519 -11.691 -7.028 1.00 0.00 C ATOM 1465 CD PRO A 89 87.405 -10.432 -7.014 1.00 0.00 C ATOM 0 HA PRO A 89 86.295 -10.495 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 89 85.801 -12.839 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 89 84.894 -11.368 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.108 -12.578 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 89 85.744 -11.613 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.363 -10.613 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.931 -9.605 -7.542 1.00 0.00 H new ATOM 1473 N ASP A 90 89.055 -11.806 -4.046 1.00 0.00 N ATOM 1474 CA ASP A 90 89.995 -12.691 -3.312 1.00 0.00 C ATOM 1475 C ASP A 90 90.572 -11.932 -2.111 1.00 0.00 C ATOM 1476 O ASP A 90 91.476 -12.400 -1.448 1.00 0.00 O ATOM 1477 CB ASP A 90 91.129 -13.114 -4.247 1.00 0.00 C ATOM 1478 CG ASP A 90 90.718 -14.380 -5.001 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.127 -14.250 -6.061 1.00 0.00 O ATOM 1480 OD2 ASP A 90 90.999 -15.458 -4.506 1.00 0.00 O ATOM 0 H ASP A 90 89.492 -11.091 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 90 89.467 -13.578 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.352 -12.313 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.038 -13.297 -3.675 1.00 0.00 H new ATOM 1485 N ILE A 91 90.059 -10.759 -1.827 1.00 0.00 N ATOM 1486 CA ILE A 91 90.586 -9.978 -0.676 1.00 0.00 C ATOM 1487 C ILE A 91 89.734 -10.260 0.567 1.00 0.00 C ATOM 1488 O ILE A 91 88.525 -10.355 0.495 1.00 0.00 O ATOM 1489 CB ILE A 91 90.568 -8.458 -0.996 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.370 -7.766 -0.332 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.487 -8.199 -2.501 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.313 -6.306 -0.787 1.00 0.00 C ATOM 0 H ILE A 91 89.300 -10.314 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 91 91.616 -10.279 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 91 91.500 -8.052 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.446 -8.278 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.461 -7.817 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.477 -7.125 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.352 -8.643 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.575 -8.644 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.463 -5.811 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.233 -5.799 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.202 -6.267 -1.871 1.00 0.00 H new ATOM 1504 N GLU A 92 90.354 -10.374 1.707 1.00 0.00 N ATOM 1505 CA GLU A 92 89.576 -10.623 2.951 1.00 0.00 C ATOM 1506 C GLU A 92 89.905 -9.539 3.978 1.00 0.00 C ATOM 1507 O GLU A 92 90.858 -9.642 4.724 1.00 0.00 O ATOM 1508 CB GLU A 92 89.926 -12.000 3.520 1.00 0.00 C ATOM 1509 CG GLU A 92 88.802 -12.986 3.198 1.00 0.00 C ATOM 1510 CD GLU A 92 89.221 -13.871 2.023 1.00 0.00 C ATOM 1511 OE1 GLU A 92 90.334 -14.370 2.051 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.422 -14.034 1.115 1.00 0.00 O ATOM 0 H GLU A 92 91.364 -10.306 1.831 1.00 0.00 H new ATOM 0 HA GLU A 92 88.511 -10.597 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.866 -12.352 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.068 -11.934 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.583 -13.601 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 92 87.888 -12.445 2.952 1.00 0.00 H new ATOM 1519 N GLU A 93 89.124 -8.494 4.013 1.00 0.00 N ATOM 1520 CA GLU A 93 89.387 -7.395 4.981 1.00 0.00 C ATOM 1521 C GLU A 93 89.118 -7.886 6.406 1.00 0.00 C ATOM 1522 O GLU A 93 87.997 -8.172 6.778 1.00 0.00 O ATOM 1523 CB GLU A 93 88.477 -6.203 4.655 1.00 0.00 C ATOM 1524 CG GLU A 93 87.048 -6.491 5.120 1.00 0.00 C ATOM 1525 CD GLU A 93 86.060 -5.730 4.233 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.389 -4.628 3.825 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.993 -6.262 3.977 1.00 0.00 O ATOM 0 H GLU A 93 88.313 -8.355 3.410 1.00 0.00 H new ATOM 0 HA GLU A 93 90.429 -7.084 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.853 -5.304 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.487 -6.010 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.847 -7.561 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.925 -6.190 6.161 1.00 0.00 H new ATOM 1534 N VAL A 94 90.140 -7.992 7.210 1.00 0.00 N ATOM 1535 CA VAL A 94 89.937 -8.466 8.606 1.00 0.00 C ATOM 1536 C VAL A 94 90.980 -7.823 9.520 1.00 0.00 C ATOM 1537 O VAL A 94 92.154 -8.117 9.435 1.00 0.00 O ATOM 1538 CB VAL A 94 90.091 -9.987 8.656 1.00 0.00 C ATOM 1539 CG1 VAL A 94 90.065 -10.456 10.111 1.00 0.00 C ATOM 1540 CG2 VAL A 94 88.939 -10.641 7.892 1.00 0.00 C ATOM 0 H VAL A 94 91.104 -7.771 6.961 1.00 0.00 H new ATOM 0 HA VAL A 94 88.937 -8.188 8.940 1.00 0.00 H new ATOM 0 HB VAL A 94 91.039 -10.270 8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 94 90.175 -11.540 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 94 90.885 -9.990 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 94 89.117 -10.172 10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 94 89.048 -11.725 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 94 87.991 -10.357 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 94 88.955 -10.308 6.854 1.00 0.00 H new ATOM 1550 N LYS A 95 90.560 -6.950 10.398 1.00 0.00 N ATOM 1551 CA LYS A 95 91.525 -6.279 11.324 1.00 0.00 C ATOM 1552 C LYS A 95 91.976 -7.224 12.445 1.00 0.00 C ATOM 1553 O LYS A 95 92.423 -6.791 13.489 1.00 0.00 O ATOM 1554 CB LYS A 95 90.841 -5.065 11.952 1.00 0.00 C ATOM 1555 CG LYS A 95 89.844 -5.557 13.004 1.00 0.00 C ATOM 1556 CD LYS A 95 88.489 -4.880 12.793 1.00 0.00 C ATOM 1557 CE LYS A 95 87.391 -5.946 12.779 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.211 -5.454 13.547 1.00 0.00 N ATOM 0 H LYS A 95 89.586 -6.671 10.515 1.00 0.00 H new ATOM 0 HA LYS A 95 92.402 -5.982 10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 95 91.581 -4.408 12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 95 90.327 -4.482 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 89.734 -6.639 12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 95 90.219 -5.337 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 95 88.302 -4.158 13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 95 88.488 -4.327 11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 95 87.102 -6.172 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.763 -6.872 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.464 -6.178 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.493 -5.259 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.852 -4.581 13.110 1.00 0.00 H new ATOM 1572 N ASP A 96 91.866 -8.496 12.244 1.00 0.00 N ATOM 1573 CA ASP A 96 92.290 -9.459 13.298 1.00 0.00 C ATOM 1574 C ASP A 96 91.396 -9.292 14.530 1.00 0.00 C ATOM 1575 O ASP A 96 91.387 -8.259 15.168 1.00 0.00 O ATOM 1576 CB ASP A 96 93.746 -9.184 13.676 1.00 0.00 C ATOM 1577 CG ASP A 96 94.659 -10.168 12.941 1.00 0.00 C ATOM 1578 OD1 ASP A 96 94.140 -11.104 12.357 1.00 0.00 O ATOM 1579 OD2 ASP A 96 95.862 -9.966 12.974 1.00 0.00 O ATOM 0 H ASP A 96 91.499 -8.920 11.392 1.00 0.00 H new ATOM 0 HA ASP A 96 92.199 -10.478 12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 96 94.013 -8.160 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 96 93.878 -9.284 14.753 1.00 0.00 H new ATOM 1584 N ARG A 97 90.638 -10.301 14.862 1.00 0.00 N ATOM 1585 CA ARG A 97 89.736 -10.205 16.046 1.00 0.00 C ATOM 1586 C ARG A 97 90.486 -10.616 17.316 1.00 0.00 C ATOM 1587 O ARG A 97 90.346 -10.002 18.356 1.00 0.00 O ATOM 1588 CB ARG A 97 88.538 -11.134 15.842 1.00 0.00 C ATOM 1589 CG ARG A 97 87.695 -11.173 17.117 1.00 0.00 C ATOM 1590 CD ARG A 97 87.058 -9.801 17.347 1.00 0.00 C ATOM 1591 NE ARG A 97 85.766 -9.971 18.068 1.00 0.00 N ATOM 1592 CZ ARG A 97 84.727 -10.460 17.445 1.00 0.00 C ATOM 1593 NH1 ARG A 97 84.817 -10.803 16.188 1.00 0.00 N ATOM 1594 NH2 ARG A 97 83.598 -10.607 18.080 1.00 0.00 N ATOM 0 H ARG A 97 90.604 -11.190 14.363 1.00 0.00 H new ATOM 0 HA ARG A 97 89.395 -9.175 16.153 1.00 0.00 H new ATOM 0 HB2 ARG A 97 87.933 -10.785 15.005 1.00 0.00 H new ATOM 0 HB3 ARG A 97 88.882 -12.137 15.591 1.00 0.00 H new ATOM 0 HG2 ARG A 97 86.921 -11.936 17.031 1.00 0.00 H new ATOM 0 HG3 ARG A 97 88.317 -11.445 17.970 1.00 0.00 H new ATOM 0 HD2 ARG A 97 87.730 -9.168 17.926 1.00 0.00 H new ATOM 0 HD3 ARG A 97 86.892 -9.300 16.393 1.00 0.00 H new ATOM 0 HE ARG A 97 85.692 -9.705 19.050 1.00 0.00 H new ATOM 0 HH11 ARG A 97 85.700 -10.689 15.690 1.00 0.00 H new ATOM 0 HH12 ARG A 97 84.004 -11.185 15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 97 83.527 -10.340 19.062 1.00 0.00 H new ATOM 0 HH22 ARG A 97 82.786 -10.989 17.595 1.00 0.00 H new ATOM 1608 N SER A 98 91.279 -11.649 17.245 1.00 0.00 N ATOM 1609 CA SER A 98 92.030 -12.095 18.454 1.00 0.00 C ATOM 1610 C SER A 98 93.520 -11.857 18.244 1.00 0.00 C ATOM 1611 O SER A 98 94.349 -12.653 18.641 1.00 0.00 O ATOM 1612 CB SER A 98 91.795 -13.585 18.680 1.00 0.00 C ATOM 1613 OG SER A 98 90.443 -13.797 19.066 1.00 0.00 O ATOM 0 H SER A 98 91.440 -12.203 16.404 1.00 0.00 H new ATOM 0 HA SER A 98 91.683 -11.531 19.320 1.00 0.00 H new ATOM 0 HB2 SER A 98 92.016 -14.141 17.769 1.00 0.00 H new ATOM 0 HB3 SER A 98 92.468 -13.957 19.452 1.00 0.00 H new ATOM 0 HG SER A 98 90.290 -14.754 19.210 1.00 0.00 H new ATOM 1619 N ILE A 99 93.866 -10.774 17.621 1.00 0.00 N ATOM 1620 CA ILE A 99 95.304 -10.487 17.377 1.00 0.00 C ATOM 1621 C ILE A 99 95.539 -8.978 17.405 1.00 0.00 C ATOM 1622 O ILE A 99 96.536 -8.502 17.908 1.00 0.00 O ATOM 1623 CB ILE A 99 95.697 -11.036 16.008 1.00 0.00 C ATOM 1624 CG1 ILE A 99 95.672 -12.565 16.042 1.00 0.00 C ATOM 1625 CG2 ILE A 99 97.102 -10.558 15.659 1.00 0.00 C ATOM 1626 CD1 ILE A 99 94.382 -13.070 15.393 1.00 0.00 C ATOM 0 H ILE A 99 93.216 -10.071 17.268 1.00 0.00 H new ATOM 0 HA ILE A 99 95.907 -10.959 18.152 1.00 0.00 H new ATOM 0 HB ILE A 99 94.992 -10.681 15.257 1.00 0.00 H new ATOM 0 HG12 ILE A 99 96.538 -12.965 15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 99 95.736 -12.917 17.072 1.00 0.00 H new ATOM 0 HG21 ILE A 99 97.387 -10.948 14.682 1.00 0.00 H new ATOM 0 HG22 ILE A 99 97.120 -9.468 15.634 1.00 0.00 H new ATOM 0 HG23 ILE A 99 97.805 -10.915 16.411 1.00 0.00 H new ATOM 0 HD11 ILE A 99 94.365 -14.160 15.417 1.00 0.00 H new ATOM 0 HD12 ILE A 99 93.523 -12.681 15.940 1.00 0.00 H new ATOM 0 HD13 ILE A 99 94.338 -12.730 14.358 1.00 0.00 H new ATOM 1638 N LYS A 100 94.625 -8.224 16.863 1.00 0.00 N ATOM 1639 CA LYS A 100 94.783 -6.746 16.849 1.00 0.00 C ATOM 1640 C LYS A 100 94.294 -6.174 18.181 1.00 0.00 C ATOM 1641 O LYS A 100 93.192 -5.676 18.289 1.00 0.00 O ATOM 1642 CB LYS A 100 93.956 -6.176 15.691 1.00 0.00 C ATOM 1643 CG LYS A 100 93.888 -4.649 15.781 1.00 0.00 C ATOM 1644 CD LYS A 100 92.630 -4.159 15.059 1.00 0.00 C ATOM 1645 CE LYS A 100 91.892 -3.150 15.942 1.00 0.00 C ATOM 1646 NZ LYS A 100 91.085 -3.878 16.963 1.00 0.00 N ATOM 0 H LYS A 100 93.771 -8.571 16.427 1.00 0.00 H new ATOM 0 HA LYS A 100 95.830 -6.476 16.714 1.00 0.00 H new ATOM 0 HB2 LYS A 100 94.400 -6.471 14.740 1.00 0.00 H new ATOM 0 HB3 LYS A 100 92.949 -6.593 15.716 1.00 0.00 H new ATOM 0 HG2 LYS A 100 93.869 -4.335 16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 100 94.776 -4.206 15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 100 92.900 -3.697 14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 100 91.978 -5.002 14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 100 92.607 -2.489 16.432 1.00 0.00 H new ATOM 0 HE3 LYS A 100 91.244 -2.522 15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 90.665 -3.195 17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 90.328 -4.412 16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 91.698 -4.535 17.486 1.00 0.00 H new ATOM 1660 N LYS A 101 95.106 -6.246 19.203 1.00 0.00 N ATOM 1661 CA LYS A 101 94.683 -5.709 20.528 1.00 0.00 C ATOM 1662 C LYS A 101 95.833 -4.923 21.156 1.00 0.00 C ATOM 1663 O LYS A 101 96.406 -5.333 22.145 1.00 0.00 O ATOM 1664 CB LYS A 101 94.312 -6.856 21.466 1.00 0.00 C ATOM 1665 CG LYS A 101 93.712 -8.022 20.673 1.00 0.00 C ATOM 1666 CD LYS A 101 93.746 -9.301 21.520 1.00 0.00 C ATOM 1667 CE LYS A 101 93.465 -8.966 22.990 1.00 0.00 C ATOM 1668 NZ LYS A 101 92.891 -10.161 23.673 1.00 0.00 N ATOM 0 H LYS A 101 96.041 -6.652 19.177 1.00 0.00 H new ATOM 0 HA LYS A 101 93.820 -5.060 20.380 1.00 0.00 H new ATOM 0 HB2 LYS A 101 95.197 -7.193 22.007 1.00 0.00 H new ATOM 0 HB3 LYS A 101 93.596 -6.508 22.211 1.00 0.00 H new ATOM 0 HG2 LYS A 101 92.685 -7.790 20.389 1.00 0.00 H new ATOM 0 HG3 LYS A 101 94.272 -8.172 19.750 1.00 0.00 H new ATOM 0 HD2 LYS A 101 93.004 -10.010 21.152 1.00 0.00 H new ATOM 0 HD3 LYS A 101 94.720 -9.782 21.428 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.385 -8.658 23.486 1.00 0.00 H new ATOM 0 HE3 LYS A 101 92.771 -8.128 23.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 92.701 -9.933 24.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 92.004 -10.435 23.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 93.568 -10.949 23.621 1.00 0.00 H new ATOM 1682 N GLY A 102 96.174 -3.795 20.602 1.00 0.00 N ATOM 1683 CA GLY A 102 97.284 -2.999 21.190 1.00 0.00 C ATOM 1684 C GLY A 102 98.290 -2.628 20.099 1.00 0.00 C ATOM 1685 O GLY A 102 99.486 -2.743 20.282 1.00 0.00 O ATOM 0 H GLY A 102 95.736 -3.392 19.774 1.00 0.00 H new ATOM 0 HA2 GLY A 102 96.889 -2.096 21.656 1.00 0.00 H new ATOM 0 HA3 GLY A 102 97.779 -3.572 21.974 1.00 0.00 H new ATOM 1689 N ASN A 103 97.819 -2.182 18.967 1.00 0.00 N ATOM 1690 CA ASN A 103 98.755 -1.805 17.872 1.00 0.00 C ATOM 1691 C ASN A 103 98.265 -0.513 17.202 1.00 0.00 C ATOM 1692 O ASN A 103 98.385 0.560 17.757 1.00 0.00 O ATOM 1693 CB ASN A 103 98.822 -2.940 16.848 1.00 0.00 C ATOM 1694 CG ASN A 103 99.852 -3.974 17.305 1.00 0.00 C ATOM 1695 OD1 ASN A 103 99.515 -5.113 17.563 1.00 0.00 O ATOM 1696 ND2 ASN A 103 101.103 -3.623 17.417 1.00 0.00 N ATOM 0 H ASN A 103 96.829 -2.063 18.754 1.00 0.00 H new ATOM 0 HA ASN A 103 99.751 -1.636 18.280 1.00 0.00 H new ATOM 0 HB2 ASN A 103 97.843 -3.407 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 103 99.095 -2.546 15.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 101.799 -4.304 17.721 1.00 0.00 H new ATOM 0 HD22 ASN A 103 101.386 -2.667 17.200 1.00 0.00 H new ATOM 1703 N ASN A 104 97.712 -0.598 16.019 1.00 0.00 N ATOM 1704 CA ASN A 104 97.224 0.637 15.342 1.00 0.00 C ATOM 1705 C ASN A 104 95.825 0.394 14.770 1.00 0.00 C ATOM 1706 O ASN A 104 95.239 1.261 14.152 1.00 0.00 O ATOM 1707 CB ASN A 104 98.181 1.011 14.208 1.00 0.00 C ATOM 1708 CG ASN A 104 98.461 2.515 14.254 1.00 0.00 C ATOM 1709 OD1 ASN A 104 97.721 3.264 14.859 1.00 0.00 O ATOM 1710 ND2 ASN A 104 99.507 2.992 13.635 1.00 0.00 N ATOM 0 H ASN A 104 97.579 -1.464 15.497 1.00 0.00 H new ATOM 0 HA ASN A 104 97.181 1.451 16.066 1.00 0.00 H new ATOM 0 HB2 ASN A 104 99.113 0.453 14.305 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.746 0.740 13.246 1.00 0.00 H new ATOM 0 HD21 ASN A 104 99.702 3.993 13.660 1.00 0.00 H new ATOM 0 HD22 ASN A 104 100.129 2.364 13.127 1.00 0.00 H new ATOM 1717 N ALA A 105 95.281 -0.776 14.972 1.00 0.00 N ATOM 1718 CA ALA A 105 93.920 -1.066 14.439 1.00 0.00 C ATOM 1719 C ALA A 105 93.922 -0.912 12.916 1.00 0.00 C ATOM 1720 O ALA A 105 93.761 0.173 12.393 1.00 0.00 O ATOM 1721 CB ALA A 105 92.916 -0.086 15.048 1.00 0.00 C ATOM 0 H ALA A 105 95.720 -1.542 15.482 1.00 0.00 H new ATOM 0 HA ALA A 105 93.639 -2.086 14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 105 91.920 -0.297 14.659 1.00 0.00 H new ATOM 0 HB2 ALA A 105 92.913 -0.195 16.132 1.00 0.00 H new ATOM 0 HB3 ALA A 105 93.199 0.934 14.787 1.00 0.00 H new ATOM 1727 N PHE A 106 94.099 -1.989 12.198 1.00 0.00 N ATOM 1728 CA PHE A 106 94.108 -1.897 10.708 1.00 0.00 C ATOM 1729 C PHE A 106 93.237 -3.003 10.113 1.00 0.00 C ATOM 1730 O PHE A 106 92.813 -3.910 10.797 1.00 0.00 O ATOM 1731 CB PHE A 106 95.525 -2.074 10.153 1.00 0.00 C ATOM 1732 CG PHE A 106 96.513 -2.334 11.251 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.391 -3.469 12.050 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.566 -1.440 11.451 1.00 0.00 C ATOM 1735 CE1 PHE A 106 97.324 -3.715 13.055 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.500 -1.679 12.455 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.384 -2.819 13.262 1.00 0.00 C ATOM 0 H PHE A 106 94.237 -2.926 12.577 1.00 0.00 H new ATOM 0 HA PHE A 106 93.726 -0.912 10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.539 -2.902 9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 106 95.817 -1.179 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 106 95.574 -4.157 11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.656 -0.563 10.827 1.00 0.00 H new ATOM 0 HE1 PHE A 106 97.232 -4.595 13.674 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.314 -0.986 12.612 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.108 -3.007 14.041 1.00 0.00 H new ATOM 1747 N ARG A 107 93.007 -2.951 8.831 1.00 0.00 N ATOM 1748 CA ARG A 107 92.210 -4.016 8.169 1.00 0.00 C ATOM 1749 C ARG A 107 93.181 -4.938 7.442 1.00 0.00 C ATOM 1750 O ARG A 107 93.757 -4.591 6.425 1.00 0.00 O ATOM 1751 CB ARG A 107 91.214 -3.417 7.177 1.00 0.00 C ATOM 1752 CG ARG A 107 90.132 -2.654 7.944 1.00 0.00 C ATOM 1753 CD ARG A 107 89.192 -1.964 6.955 1.00 0.00 C ATOM 1754 NE ARG A 107 88.083 -1.304 7.703 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.295 -0.458 7.097 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.474 -0.184 5.832 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.327 0.116 7.757 1.00 0.00 N ATOM 0 H ARG A 107 93.339 -2.212 8.212 1.00 0.00 H new ATOM 0 HA ARG A 107 91.638 -4.568 8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.728 -2.747 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 107 90.762 -4.206 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.570 -3.339 8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 107 90.590 -1.915 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.740 -1.226 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.788 -2.692 6.252 1.00 0.00 H new ATOM 0 HE ARG A 107 87.940 -1.514 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.231 -0.632 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.857 0.477 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 107 86.187 -0.097 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.710 0.777 7.285 1.00 0.00 H new ATOM 1771 N VAL A 108 93.381 -6.102 7.983 1.00 0.00 N ATOM 1772 CA VAL A 108 94.320 -7.074 7.370 1.00 0.00 C ATOM 1773 C VAL A 108 93.620 -7.762 6.203 1.00 0.00 C ATOM 1774 O VAL A 108 92.832 -8.670 6.379 1.00 0.00 O ATOM 1775 CB VAL A 108 94.726 -8.096 8.432 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.083 -8.699 8.083 1.00 0.00 C ATOM 1777 CG2 VAL A 108 94.836 -7.387 9.781 1.00 0.00 C ATOM 0 H VAL A 108 92.927 -6.426 8.837 1.00 0.00 H new ATOM 0 HA VAL A 108 95.214 -6.571 7.000 1.00 0.00 H new ATOM 0 HB VAL A 108 93.978 -8.888 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.365 -9.426 8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.023 -9.194 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.832 -7.909 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.125 -8.106 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.588 -6.601 9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.873 -6.948 10.041 1.00 0.00 H new ATOM 1787 N TYR A 109 93.884 -7.312 5.007 1.00 0.00 N ATOM 1788 CA TYR A 109 93.221 -7.911 3.820 1.00 0.00 C ATOM 1789 C TYR A 109 93.961 -9.168 3.370 1.00 0.00 C ATOM 1790 O TYR A 109 95.160 -9.162 3.171 1.00 0.00 O ATOM 1791 CB TYR A 109 93.219 -6.895 2.676 1.00 0.00 C ATOM 1792 CG TYR A 109 92.035 -5.969 2.814 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.948 -5.103 3.910 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.026 -5.971 1.843 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.853 -4.240 4.034 1.00 0.00 C ATOM 1796 CE2 TYR A 109 89.931 -5.108 1.969 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.847 -4.242 3.063 1.00 0.00 C ATOM 1798 OH TYR A 109 88.768 -3.390 3.187 1.00 0.00 O ATOM 0 H TYR A 109 94.533 -6.552 4.803 1.00 0.00 H new ATOM 0 HA TYR A 109 92.199 -8.179 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.145 -6.320 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.177 -7.413 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.725 -5.101 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.093 -6.639 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.785 -3.572 4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.152 -5.111 1.221 1.00 0.00 H new ATOM 0 HH TYR A 109 87.953 -3.914 3.334 1.00 0.00 H new ATOM 1808 N ARG A 110 93.244 -10.241 3.191 1.00 0.00 N ATOM 1809 CA ARG A 110 93.884 -11.500 2.731 1.00 0.00 C ATOM 1810 C ARG A 110 93.615 -11.664 1.236 1.00 0.00 C ATOM 1811 O ARG A 110 92.480 -11.751 0.808 1.00 0.00 O ATOM 1812 CB ARG A 110 93.288 -12.686 3.490 1.00 0.00 C ATOM 1813 CG ARG A 110 94.344 -13.277 4.426 1.00 0.00 C ATOM 1814 CD ARG A 110 93.810 -14.569 5.044 1.00 0.00 C ATOM 1815 NE ARG A 110 94.069 -14.561 6.512 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.919 -15.655 7.210 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.542 -16.760 6.627 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.147 -15.642 8.493 1.00 0.00 N ATOM 0 H ARG A 110 92.237 -10.299 3.345 1.00 0.00 H new ATOM 0 HA ARG A 110 94.957 -11.462 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.418 -12.364 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.944 -13.445 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.263 -13.477 3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.592 -12.562 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 110 92.741 -14.661 4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.292 -15.431 4.583 1.00 0.00 H new ATOM 0 HE ARG A 110 94.364 -13.700 6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 110 93.363 -16.772 5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 110 93.426 -17.612 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 110 94.442 -14.779 8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 110 94.031 -16.495 9.040 1.00 0.00 H new ATOM 1832 N MET A 111 94.644 -11.698 0.436 1.00 0.00 N ATOM 1833 CA MET A 111 94.444 -11.849 -1.033 1.00 0.00 C ATOM 1834 C MET A 111 94.687 -13.304 -1.433 1.00 0.00 C ATOM 1835 O MET A 111 95.755 -13.664 -1.889 1.00 0.00 O ATOM 1836 CB MET A 111 95.426 -10.942 -1.779 1.00 0.00 C ATOM 1837 CG MET A 111 95.086 -9.476 -1.503 1.00 0.00 C ATOM 1838 SD MET A 111 94.744 -8.630 -3.067 1.00 0.00 S ATOM 1839 CE MET A 111 96.426 -8.042 -3.381 1.00 0.00 C ATOM 0 H MET A 111 95.616 -11.628 0.736 1.00 0.00 H new ATOM 0 HA MET A 111 93.423 -11.567 -1.292 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.446 -11.155 -1.460 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.378 -11.141 -2.850 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.220 -9.410 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.915 -8.990 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.447 -7.482 -4.316 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.744 -7.395 -2.563 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.102 -8.894 -3.453 1.00 0.00 H new ATOM 1849 N LEU A 112 93.705 -14.147 -1.264 1.00 0.00 N ATOM 1850 CA LEU A 112 93.883 -15.579 -1.635 1.00 0.00 C ATOM 1851 C LEU A 112 94.548 -15.667 -3.014 1.00 0.00 C ATOM 1852 O LEU A 112 94.253 -14.879 -3.891 1.00 0.00 O ATOM 1853 CB LEU A 112 92.516 -16.265 -1.681 1.00 0.00 C ATOM 1854 CG LEU A 112 91.893 -16.258 -0.283 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.683 -17.193 -0.259 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.924 -16.736 0.741 1.00 0.00 C ATOM 0 H LEU A 112 92.789 -13.906 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 112 94.513 -16.074 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 112 91.862 -15.749 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.623 -17.289 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 112 91.577 -15.245 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.239 -17.188 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.946 -16.853 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 112 91.000 -18.205 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.478 -16.730 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 112 93.242 -17.748 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.787 -16.070 0.726 1.00 0.00 H new ATOM 1868 N PRO A 113 95.429 -16.624 -3.164 1.00 0.00 N ATOM 1869 CA PRO A 113 96.157 -16.841 -4.424 1.00 0.00 C ATOM 1870 C PRO A 113 95.267 -17.553 -5.446 1.00 0.00 C ATOM 1871 O PRO A 113 95.191 -18.770 -5.390 1.00 0.00 O ATOM 1872 CB PRO A 113 97.335 -17.724 -4.015 1.00 0.00 C ATOM 1873 CG PRO A 113 96.919 -18.417 -2.700 1.00 0.00 C ATOM 1874 CD PRO A 113 95.781 -17.577 -2.094 1.00 0.00 C ATOM 1875 OXT PRO A 113 94.676 -16.870 -6.265 1.00 0.00 O ATOM 0 HA PRO A 113 96.474 -15.912 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.557 -18.459 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.237 -17.128 -3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.587 -19.438 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.762 -18.479 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.930 -18.199 -1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.104 -17.060 -1.190 1.00 0.00 H new TER 1883 PRO A 113