USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=20 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 83 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -1.14! C(o=-1.8!,f=-1.1!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 MET CE :methyl -127:sc= -4.59! (180deg=-0.883) USER MOD Set 3.2: A 61 HIS : no HE2:sc= -7.74! C(o=-12!,f=-20!) USER MOD Single : A 8 MET CE :methyl -129:sc= -8.37! (180deg=-10.7!) USER MOD Single : A 15 GLN : amide:sc= -0.0837 K(o=-0.084,f=-0.94) USER MOD Single : A 17 ASN : amide:sc= -2.8 K(o=-2.8,f=-12!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.985 K(o=-0.98,f=-3.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.327 (180deg=-2.02!) USER MOD Single : A 28 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.3!) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.0522 (180deg=-0.408) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.81 K(o=-1.8,f=-5.5!) USER MOD Single : A 39 MET CE :methyl -167:sc= -4.95! (180deg=-6.88!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.481 F(o=-1.1,f=-0.48) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -10.5! C(o=-13!,f=-10!) USER MOD Single : A 62 THR OG1 : rot 14:sc= -0.258 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -5.04 F(o=-7.2,f=-5) USER MOD Single : A 66 GLN : amide:sc= -0.759 K(o=-0.76,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.217 (180deg=-0.105) USER MOD Single : A 80 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 85 MET CE :methyl -108:sc= -10.5! (180deg=-15!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.0061) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 78:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 109.016 -0.867 -17.642 1.00 0.00 N ATOM 2 CA PRO A 2 107.881 -0.480 -18.500 1.00 0.00 C ATOM 3 C PRO A 2 106.550 -0.766 -17.798 1.00 0.00 C ATOM 4 O PRO A 2 106.425 -1.706 -17.037 1.00 0.00 O ATOM 5 CB PRO A 2 108.049 -1.369 -19.735 1.00 0.00 C ATOM 6 CG PRO A 2 108.899 -2.583 -19.289 1.00 0.00 C ATOM 7 CD PRO A 2 109.640 -2.154 -18.009 1.00 0.00 C ATOM 0 HA PRO A 2 107.870 0.583 -18.741 1.00 0.00 H new ATOM 0 HB2 PRO A 2 107.080 -1.692 -20.115 1.00 0.00 H new ATOM 0 HB3 PRO A 2 108.542 -0.825 -20.541 1.00 0.00 H new ATOM 0 HG2 PRO A 2 108.266 -3.450 -19.098 1.00 0.00 H new ATOM 0 HG3 PRO A 2 109.605 -2.869 -20.068 1.00 0.00 H new ATOM 0 HD2 PRO A 2 109.525 -2.893 -17.216 1.00 0.00 H new ATOM 0 HD3 PRO A 2 110.709 -2.041 -18.187 1.00 0.00 H new ATOM 17 N VAL A 3 105.552 0.038 -18.050 1.00 0.00 N ATOM 18 CA VAL A 3 104.225 -0.183 -17.404 1.00 0.00 C ATOM 19 C VAL A 3 103.172 -0.445 -18.483 1.00 0.00 C ATOM 20 O VAL A 3 102.590 0.472 -19.028 1.00 0.00 O ATOM 21 CB VAL A 3 103.830 1.064 -16.608 1.00 0.00 C ATOM 22 CG1 VAL A 3 102.665 0.727 -15.675 1.00 0.00 C ATOM 23 CG2 VAL A 3 105.024 1.543 -15.780 1.00 0.00 C ATOM 0 H VAL A 3 105.599 0.841 -18.677 1.00 0.00 H new ATOM 0 HA VAL A 3 104.287 -1.041 -16.734 1.00 0.00 H new ATOM 0 HB VAL A 3 103.527 1.852 -17.297 1.00 0.00 H new ATOM 0 HG11 VAL A 3 102.384 1.615 -15.108 1.00 0.00 H new ATOM 0 HG12 VAL A 3 101.813 0.388 -16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 3 102.967 -0.062 -14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 3 104.742 2.431 -15.214 1.00 0.00 H new ATOM 0 HG22 VAL A 3 105.329 0.755 -15.091 1.00 0.00 H new ATOM 0 HG23 VAL A 3 105.854 1.785 -16.444 1.00 0.00 H new ATOM 33 N GLU A 4 102.920 -1.686 -18.801 1.00 0.00 N ATOM 34 CA GLU A 4 101.904 -1.993 -19.848 1.00 0.00 C ATOM 35 C GLU A 4 100.541 -2.237 -19.195 1.00 0.00 C ATOM 36 O GLU A 4 100.326 -3.236 -18.540 1.00 0.00 O ATOM 37 CB GLU A 4 102.325 -3.245 -20.621 1.00 0.00 C ATOM 38 CG GLU A 4 101.209 -3.644 -21.588 1.00 0.00 C ATOM 39 CD GLU A 4 101.804 -4.428 -22.759 1.00 0.00 C ATOM 40 OE1 GLU A 4 103.014 -4.576 -22.793 1.00 0.00 O ATOM 41 OE2 GLU A 4 101.038 -4.866 -23.602 1.00 0.00 O ATOM 0 H GLU A 4 103.372 -2.499 -18.382 1.00 0.00 H new ATOM 0 HA GLU A 4 101.831 -1.147 -20.532 1.00 0.00 H new ATOM 0 HB2 GLU A 4 103.247 -3.054 -21.171 1.00 0.00 H new ATOM 0 HB3 GLU A 4 102.531 -4.061 -19.929 1.00 0.00 H new ATOM 0 HG2 GLU A 4 100.465 -4.250 -21.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 100.696 -2.755 -21.955 1.00 0.00 H new ATOM 48 N ARG A 5 99.618 -1.330 -19.371 1.00 0.00 N ATOM 49 CA ARG A 5 98.269 -1.509 -18.764 1.00 0.00 C ATOM 50 C ARG A 5 98.416 -1.777 -17.265 1.00 0.00 C ATOM 51 O ARG A 5 98.558 -2.906 -16.838 1.00 0.00 O ATOM 52 CB ARG A 5 97.564 -2.694 -19.428 1.00 0.00 C ATOM 53 CG ARG A 5 97.444 -2.441 -20.932 1.00 0.00 C ATOM 54 CD ARG A 5 95.974 -2.215 -21.294 1.00 0.00 C ATOM 55 NE ARG A 5 95.203 -3.467 -21.049 1.00 0.00 N ATOM 56 CZ ARG A 5 94.020 -3.627 -21.584 1.00 0.00 C ATOM 57 NH1 ARG A 5 93.508 -2.691 -22.337 1.00 0.00 N ATOM 58 NH2 ARG A 5 93.350 -4.724 -21.366 1.00 0.00 N ATOM 0 H ARG A 5 99.741 -0.472 -19.909 1.00 0.00 H new ATOM 0 HA ARG A 5 97.679 -0.605 -18.915 1.00 0.00 H new ATOM 0 HB2 ARG A 5 98.124 -3.612 -19.247 1.00 0.00 H new ATOM 0 HB3 ARG A 5 96.575 -2.833 -18.992 1.00 0.00 H new ATOM 0 HG2 ARG A 5 98.037 -1.571 -21.214 1.00 0.00 H new ATOM 0 HG3 ARG A 5 97.840 -3.291 -21.488 1.00 0.00 H new ATOM 0 HD2 ARG A 5 95.563 -1.400 -20.698 1.00 0.00 H new ATOM 0 HD3 ARG A 5 95.887 -1.921 -22.340 1.00 0.00 H new ATOM 0 HE ARG A 5 95.599 -4.201 -20.462 1.00 0.00 H new ATOM 0 HH11 ARG A 5 94.031 -1.832 -22.509 1.00 0.00 H new ATOM 0 HH12 ARG A 5 92.585 -2.819 -22.753 1.00 0.00 H new ATOM 0 HH21 ARG A 5 93.748 -5.457 -20.779 1.00 0.00 H new ATOM 0 HH22 ARG A 5 92.428 -4.850 -21.783 1.00 0.00 H new ATOM 72 N MET A 6 98.382 -0.749 -16.464 1.00 0.00 N ATOM 73 CA MET A 6 98.519 -0.945 -14.993 1.00 0.00 C ATOM 74 C MET A 6 97.143 -1.228 -14.388 1.00 0.00 C ATOM 75 O MET A 6 96.142 -1.236 -15.077 1.00 0.00 O ATOM 76 CB MET A 6 99.102 0.320 -14.363 1.00 0.00 C ATOM 77 CG MET A 6 98.328 1.541 -14.861 1.00 0.00 C ATOM 78 SD MET A 6 98.271 2.794 -13.554 1.00 0.00 S ATOM 79 CE MET A 6 97.101 1.940 -12.470 1.00 0.00 C ATOM 0 H MET A 6 98.265 0.219 -16.764 1.00 0.00 H new ATOM 0 HA MET A 6 99.183 -1.787 -14.798 1.00 0.00 H new ATOM 0 HB2 MET A 6 99.044 0.258 -13.276 1.00 0.00 H new ATOM 0 HB3 MET A 6 100.157 0.415 -14.621 1.00 0.00 H new ATOM 0 HG2 MET A 6 98.806 1.950 -15.751 1.00 0.00 H new ATOM 0 HG3 MET A 6 97.317 1.252 -15.147 1.00 0.00 H new ATOM 0 HE1 MET A 6 96.272 2.607 -12.232 1.00 0.00 H new ATOM 0 HE2 MET A 6 96.719 1.052 -12.974 1.00 0.00 H new ATOM 0 HE3 MET A 6 97.606 1.646 -11.550 1.00 0.00 H new ATOM 89 N ARG A 7 97.083 -1.462 -13.105 1.00 0.00 N ATOM 90 CA ARG A 7 95.768 -1.744 -12.464 1.00 0.00 C ATOM 91 C ARG A 7 95.873 -1.535 -10.951 1.00 0.00 C ATOM 92 O ARG A 7 96.953 -1.444 -10.396 1.00 0.00 O ATOM 93 CB ARG A 7 95.361 -3.192 -12.752 1.00 0.00 C ATOM 94 CG ARG A 7 94.010 -3.207 -13.470 1.00 0.00 C ATOM 95 CD ARG A 7 94.164 -3.860 -14.847 1.00 0.00 C ATOM 96 NE ARG A 7 94.095 -5.342 -14.707 1.00 0.00 N ATOM 97 CZ ARG A 7 94.252 -6.109 -15.753 1.00 0.00 C ATOM 98 NH1 ARG A 7 94.470 -5.581 -16.927 1.00 0.00 N ATOM 99 NH2 ARG A 7 94.191 -7.407 -15.625 1.00 0.00 N ATOM 0 H ARG A 7 97.885 -1.470 -12.475 1.00 0.00 H new ATOM 0 HA ARG A 7 95.017 -1.065 -12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.118 -3.678 -13.367 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.297 -3.755 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.278 -3.755 -12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.634 -2.190 -13.579 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.378 -3.511 -15.516 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.115 -3.571 -15.294 1.00 0.00 H new ATOM 0 HE ARG A 7 93.925 -5.759 -13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 7 94.518 -4.567 -17.029 1.00 0.00 H new ATOM 0 HH12 ARG A 7 94.592 -6.182 -17.742 1.00 0.00 H new ATOM 0 HH21 ARG A 7 94.021 -7.822 -14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 7 94.313 -8.006 -16.441 1.00 0.00 H new ATOM 113 N MET A 8 94.757 -1.454 -10.281 1.00 0.00 N ATOM 114 CA MET A 8 94.781 -1.245 -8.807 1.00 0.00 C ATOM 115 C MET A 8 95.452 -2.442 -8.118 1.00 0.00 C ATOM 116 O MET A 8 96.264 -2.284 -7.230 1.00 0.00 O ATOM 117 CB MET A 8 93.348 -1.108 -8.290 1.00 0.00 C ATOM 118 CG MET A 8 93.368 -0.579 -6.854 1.00 0.00 C ATOM 119 SD MET A 8 93.146 -1.955 -5.700 1.00 0.00 S ATOM 120 CE MET A 8 93.629 -1.072 -4.196 1.00 0.00 C ATOM 0 H MET A 8 93.826 -1.524 -10.693 1.00 0.00 H new ATOM 0 HA MET A 8 95.344 -0.339 -8.585 1.00 0.00 H new ATOM 0 HB2 MET A 8 92.783 -0.430 -8.930 1.00 0.00 H new ATOM 0 HB3 MET A 8 92.844 -2.074 -8.325 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.312 -0.072 -6.655 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.576 0.157 -6.715 1.00 0.00 H new ATOM 0 HE1 MET A 8 94.383 -1.649 -3.662 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.039 -0.098 -4.462 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.756 -0.937 -3.557 1.00 0.00 H new ATOM 130 N ARG A 9 95.102 -3.635 -8.514 1.00 0.00 N ATOM 131 CA ARG A 9 95.696 -4.850 -7.879 1.00 0.00 C ATOM 132 C ARG A 9 97.220 -4.712 -7.748 1.00 0.00 C ATOM 133 O ARG A 9 97.756 -4.787 -6.656 1.00 0.00 O ATOM 134 CB ARG A 9 95.363 -6.078 -8.730 1.00 0.00 C ATOM 135 CG ARG A 9 94.145 -6.791 -8.139 1.00 0.00 C ATOM 136 CD ARG A 9 94.018 -8.184 -8.756 1.00 0.00 C ATOM 137 NE ARG A 9 93.021 -8.147 -9.865 1.00 0.00 N ATOM 138 CZ ARG A 9 92.552 -9.260 -10.361 1.00 0.00 C ATOM 139 NH1 ARG A 9 92.952 -10.410 -9.890 1.00 0.00 N ATOM 140 NH2 ARG A 9 91.680 -9.223 -11.333 1.00 0.00 N ATOM 0 H ARG A 9 94.426 -3.823 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 9 95.275 -4.962 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.159 -5.777 -9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.216 -6.756 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.246 -6.869 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 9 93.242 -6.212 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 9 94.985 -8.516 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 9 93.708 -8.903 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 9 92.705 -7.251 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.633 -10.441 -9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 9 92.583 -11.277 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 9 91.367 -8.326 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 9 91.312 -10.091 -11.722 1.00 0.00 H new ATOM 154 N PRO A 10 97.880 -4.521 -8.861 1.00 0.00 N ATOM 155 CA PRO A 10 99.347 -4.381 -8.892 1.00 0.00 C ATOM 156 C PRO A 10 99.791 -3.066 -8.246 1.00 0.00 C ATOM 157 O PRO A 10 100.845 -2.991 -7.646 1.00 0.00 O ATOM 158 CB PRO A 10 99.691 -4.436 -10.379 1.00 0.00 C ATOM 159 CG PRO A 10 98.399 -4.069 -11.131 1.00 0.00 C ATOM 160 CD PRO A 10 97.236 -4.410 -10.183 1.00 0.00 C ATOM 0 HA PRO A 10 99.860 -5.158 -8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.493 -3.738 -10.619 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.038 -5.430 -10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.389 -3.011 -11.394 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.319 -4.630 -12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.472 -3.633 -10.192 1.00 0.00 H new ATOM 0 HD3 PRO A 10 96.747 -5.341 -10.469 1.00 0.00 H new ATOM 168 N TRP A 11 99.001 -2.033 -8.342 1.00 0.00 N ATOM 169 CA TRP A 11 99.405 -0.748 -7.706 1.00 0.00 C ATOM 170 C TRP A 11 99.627 -0.987 -6.207 1.00 0.00 C ATOM 171 O TRP A 11 100.658 -0.641 -5.649 1.00 0.00 O ATOM 172 CB TRP A 11 98.300 0.293 -7.904 1.00 0.00 C ATOM 173 CG TRP A 11 98.832 1.647 -7.564 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.439 2.485 -8.436 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.818 2.333 -6.280 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.803 3.638 -7.765 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.442 3.592 -6.435 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.332 1.987 -5.006 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.579 4.477 -5.370 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.468 2.878 -3.928 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.092 4.120 -4.110 1.00 0.00 C ATOM 0 H TRP A 11 98.104 -2.022 -8.827 1.00 0.00 H new ATOM 0 HA TRP A 11 100.324 -0.381 -8.162 1.00 0.00 H new ATOM 0 HB2 TRP A 11 97.949 0.276 -8.936 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.444 0.057 -7.272 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.611 2.286 -9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.281 4.427 -8.201 1.00 0.00 H new ATOM 0 HE3 TRP A 11 97.852 1.031 -4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.059 5.434 -5.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.090 2.604 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.196 4.800 -3.277 1.00 0.00 H new ATOM 192 N LEU A 12 98.672 -1.593 -5.552 1.00 0.00 N ATOM 193 CA LEU A 12 98.822 -1.872 -4.102 1.00 0.00 C ATOM 194 C LEU A 12 99.884 -2.949 -3.918 1.00 0.00 C ATOM 195 O LEU A 12 100.649 -2.921 -2.979 1.00 0.00 O ATOM 196 CB LEU A 12 97.492 -2.361 -3.529 1.00 0.00 C ATOM 197 CG LEU A 12 97.034 -1.406 -2.425 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.373 -0.178 -3.053 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.027 -2.122 -1.523 1.00 0.00 C ATOM 0 H LEU A 12 97.793 -1.906 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 12 99.119 -0.962 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.740 -2.411 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.604 -3.369 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 12 97.895 -1.091 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.047 0.502 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.089 0.331 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.511 -0.490 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.698 -1.444 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.167 -2.435 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.497 -2.998 -1.076 1.00 0.00 H new ATOM 211 N GLU A 13 99.946 -3.899 -4.812 1.00 0.00 N ATOM 212 CA GLU A 13 100.977 -4.961 -4.677 1.00 0.00 C ATOM 213 C GLU A 13 102.360 -4.304 -4.637 1.00 0.00 C ATOM 214 O GLU A 13 103.277 -4.795 -4.007 1.00 0.00 O ATOM 215 CB GLU A 13 100.898 -5.910 -5.877 1.00 0.00 C ATOM 216 CG GLU A 13 101.906 -7.045 -5.695 1.00 0.00 C ATOM 217 CD GLU A 13 102.808 -7.128 -6.928 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.412 -7.770 -7.886 1.00 0.00 O ATOM 219 OE2 GLU A 13 103.881 -6.548 -6.891 1.00 0.00 O ATOM 0 H GLU A 13 99.332 -3.983 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 13 100.807 -5.527 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 13 99.890 -6.315 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.108 -5.367 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 13 102.507 -6.872 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.383 -7.990 -5.549 1.00 0.00 H new ATOM 226 N GLU A 14 102.513 -3.190 -5.303 1.00 0.00 N ATOM 227 CA GLU A 14 103.832 -2.495 -5.308 1.00 0.00 C ATOM 228 C GLU A 14 103.991 -1.673 -4.026 1.00 0.00 C ATOM 229 O GLU A 14 104.962 -1.811 -3.311 1.00 0.00 O ATOM 230 CB GLU A 14 103.915 -1.567 -6.521 1.00 0.00 C ATOM 231 CG GLU A 14 105.382 -1.277 -6.841 1.00 0.00 C ATOM 232 CD GLU A 14 105.502 0.114 -7.470 1.00 0.00 C ATOM 233 OE1 GLU A 14 104.534 0.854 -7.409 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.559 0.414 -7.999 1.00 0.00 O ATOM 0 H GLU A 14 101.780 -2.731 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 14 104.628 -3.237 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.429 -2.029 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 14 103.385 -0.636 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.981 -1.330 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.772 -2.032 -7.524 1.00 0.00 H new ATOM 241 N GLN A 15 103.052 -0.816 -3.728 1.00 0.00 N ATOM 242 CA GLN A 15 103.171 0.008 -2.485 1.00 0.00 C ATOM 243 C GLN A 15 103.455 -0.905 -1.290 1.00 0.00 C ATOM 244 O GLN A 15 104.148 -0.541 -0.361 1.00 0.00 O ATOM 245 CB GLN A 15 101.866 0.763 -2.248 1.00 0.00 C ATOM 246 CG GLN A 15 101.552 1.626 -3.469 1.00 0.00 C ATOM 247 CD GLN A 15 102.517 2.811 -3.522 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.833 3.398 -2.506 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.001 3.193 -4.672 1.00 0.00 N ATOM 0 H GLN A 15 102.213 -0.650 -4.284 1.00 0.00 H new ATOM 0 HA GLN A 15 103.988 0.720 -2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.053 0.059 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.950 1.388 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.639 1.032 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.524 1.984 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.736 2.701 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.644 3.984 -4.717 1.00 0.00 H new ATOM 258 N ILE A 16 102.918 -2.090 -1.311 1.00 0.00 N ATOM 259 CA ILE A 16 103.142 -3.038 -0.182 1.00 0.00 C ATOM 260 C ILE A 16 104.511 -3.704 -0.331 1.00 0.00 C ATOM 261 O ILE A 16 105.348 -3.624 0.545 1.00 0.00 O ATOM 262 CB ILE A 16 102.052 -4.112 -0.198 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.679 -3.441 -0.235 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.162 -4.972 1.063 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.703 -4.315 -1.024 1.00 0.00 C ATOM 0 H ILE A 16 102.330 -2.447 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 16 103.107 -2.492 0.761 1.00 0.00 H new ATOM 0 HB ILE A 16 102.176 -4.741 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.309 -3.290 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.756 -2.457 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.385 -5.737 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.141 -5.450 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.038 -4.343 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.724 -3.836 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.071 -4.444 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.617 -5.290 -0.543 1.00 0.00 H new ATOM 277 N ASN A 17 104.744 -4.365 -1.431 1.00 0.00 N ATOM 278 CA ASN A 17 106.058 -5.039 -1.627 1.00 0.00 C ATOM 279 C ASN A 17 107.187 -4.058 -1.299 1.00 0.00 C ATOM 280 O ASN A 17 108.276 -4.452 -0.934 1.00 0.00 O ATOM 281 CB ASN A 17 106.184 -5.496 -3.082 1.00 0.00 C ATOM 282 CG ASN A 17 105.950 -7.006 -3.164 1.00 0.00 C ATOM 283 OD1 ASN A 17 105.732 -7.653 -2.160 1.00 0.00 O ATOM 284 ND2 ASN A 17 105.986 -7.598 -4.326 1.00 0.00 N ATOM 0 H ASN A 17 104.083 -4.467 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 17 106.126 -5.904 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.459 -4.971 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.173 -5.249 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 17 105.831 -8.604 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.169 -7.055 -5.170 1.00 0.00 H new ATOM 291 N SER A 18 106.934 -2.785 -1.427 1.00 0.00 N ATOM 292 CA SER A 18 107.992 -1.778 -1.124 1.00 0.00 C ATOM 293 C SER A 18 107.914 -1.375 0.348 1.00 0.00 C ATOM 294 O SER A 18 108.920 -1.190 1.003 1.00 0.00 O ATOM 295 CB SER A 18 107.784 -0.542 -2.001 1.00 0.00 C ATOM 296 OG SER A 18 108.902 0.325 -1.865 1.00 0.00 O ATOM 0 H SER A 18 106.040 -2.397 -1.728 1.00 0.00 H new ATOM 0 HA SER A 18 108.971 -2.211 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.663 -0.838 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.870 -0.024 -1.709 1.00 0.00 H new ATOM 0 HG SER A 18 108.772 1.117 -2.427 1.00 0.00 H new ATOM 302 N ASN A 19 106.725 -1.221 0.867 1.00 0.00 N ATOM 303 CA ASN A 19 106.572 -0.812 2.293 1.00 0.00 C ATOM 304 C ASN A 19 106.786 0.696 2.395 1.00 0.00 C ATOM 305 O ASN A 19 107.877 1.165 2.645 1.00 0.00 O ATOM 306 CB ASN A 19 107.605 -1.539 3.161 1.00 0.00 C ATOM 307 CG ASN A 19 107.122 -1.571 4.612 1.00 0.00 C ATOM 308 OD1 ASN A 19 105.937 -1.648 4.867 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.996 -1.519 5.581 1.00 0.00 N ATOM 0 H ASN A 19 105.850 -1.362 0.362 1.00 0.00 H new ATOM 0 HA ASN A 19 105.574 -1.073 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 19 107.754 -2.554 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.568 -1.033 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.683 -1.543 6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.991 -1.454 5.367 1.00 0.00 H new ATOM 316 N THR A 20 105.750 1.460 2.183 1.00 0.00 N ATOM 317 CA THR A 20 105.894 2.939 2.247 1.00 0.00 C ATOM 318 C THR A 20 105.030 3.502 3.377 1.00 0.00 C ATOM 319 O THR A 20 105.035 4.688 3.639 1.00 0.00 O ATOM 320 CB THR A 20 105.448 3.539 0.914 1.00 0.00 C ATOM 321 OG1 THR A 20 105.161 2.490 -0.001 1.00 0.00 O ATOM 322 CG2 THR A 20 106.568 4.414 0.355 1.00 0.00 C ATOM 0 H THR A 20 104.811 1.123 1.969 1.00 0.00 H new ATOM 0 HA THR A 20 106.936 3.194 2.440 1.00 0.00 H new ATOM 0 HB THR A 20 104.554 4.145 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.873 2.872 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 20 106.254 4.844 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.790 5.215 1.060 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.461 3.808 0.202 1.00 0.00 H new ATOM 330 N ILE A 21 104.291 2.668 4.052 1.00 0.00 N ATOM 331 CA ILE A 21 103.437 3.172 5.160 1.00 0.00 C ATOM 332 C ILE A 21 103.638 2.291 6.400 1.00 0.00 C ATOM 333 O ILE A 21 103.674 1.080 6.293 1.00 0.00 O ATOM 334 CB ILE A 21 101.968 3.130 4.734 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.846 3.583 3.273 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.147 4.058 5.631 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.989 5.106 3.182 1.00 0.00 C ATOM 0 H ILE A 21 104.242 1.663 3.885 1.00 0.00 H new ATOM 0 HA ILE A 21 103.715 4.199 5.395 1.00 0.00 H new ATOM 0 HB ILE A 21 101.591 2.112 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.614 3.101 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.882 3.275 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.101 4.027 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.233 3.732 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.521 5.078 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.901 5.418 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.204 5.581 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.964 5.404 3.569 1.00 0.00 H new ATOM 349 N PRO A 22 103.761 2.926 7.543 1.00 0.00 N ATOM 350 CA PRO A 22 103.965 2.223 8.824 1.00 0.00 C ATOM 351 C PRO A 22 102.658 1.584 9.287 1.00 0.00 C ATOM 352 O PRO A 22 101.994 2.070 10.181 1.00 0.00 O ATOM 353 CB PRO A 22 104.410 3.334 9.781 1.00 0.00 C ATOM 354 CG PRO A 22 103.909 4.662 9.168 1.00 0.00 C ATOM 355 CD PRO A 22 103.695 4.397 7.666 1.00 0.00 C ATOM 0 HA PRO A 22 104.693 1.414 8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.990 3.182 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.494 3.341 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.981 4.982 9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.637 5.459 9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.733 4.782 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.463 4.882 7.063 1.00 0.00 H new ATOM 363 N GLY A 23 102.285 0.493 8.679 1.00 0.00 N ATOM 364 CA GLY A 23 101.022 -0.189 9.068 1.00 0.00 C ATOM 365 C GLY A 23 100.479 -0.960 7.864 1.00 0.00 C ATOM 366 O GLY A 23 99.655 -1.843 8.001 1.00 0.00 O ATOM 0 H GLY A 23 102.804 0.043 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.203 -0.870 9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.289 0.542 9.408 1.00 0.00 H new ATOM 370 N LEU A 24 100.937 -0.637 6.683 1.00 0.00 N ATOM 371 CA LEU A 24 100.452 -1.353 5.478 1.00 0.00 C ATOM 372 C LEU A 24 101.623 -2.149 4.884 1.00 0.00 C ATOM 373 O LEU A 24 102.650 -1.593 4.546 1.00 0.00 O ATOM 374 CB LEU A 24 99.912 -0.315 4.469 1.00 0.00 C ATOM 375 CG LEU A 24 100.407 -0.627 3.053 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.821 -1.964 2.597 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.970 0.479 2.090 1.00 0.00 C ATOM 0 H LEU A 24 101.627 0.093 6.506 1.00 0.00 H new ATOM 0 HA LEU A 24 99.647 -2.045 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.822 -0.316 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.235 0.685 4.760 1.00 0.00 H new ATOM 0 HG LEU A 24 101.495 -0.684 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.171 -2.190 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.141 -2.753 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.733 -1.904 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.326 0.249 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.882 0.546 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.390 1.431 2.415 1.00 0.00 H new ATOM 389 N LYS A 25 101.484 -3.439 4.753 1.00 0.00 N ATOM 390 CA LYS A 25 102.611 -4.238 4.174 1.00 0.00 C ATOM 391 C LYS A 25 102.199 -5.700 3.962 1.00 0.00 C ATOM 392 O LYS A 25 101.085 -6.096 4.241 1.00 0.00 O ATOM 393 CB LYS A 25 103.829 -4.189 5.104 1.00 0.00 C ATOM 394 CG LYS A 25 103.390 -3.907 6.540 1.00 0.00 C ATOM 395 CD LYS A 25 102.329 -4.924 6.961 1.00 0.00 C ATOM 396 CE LYS A 25 102.645 -5.439 8.367 1.00 0.00 C ATOM 397 NZ LYS A 25 103.104 -4.305 9.220 1.00 0.00 N ATOM 0 H LYS A 25 100.655 -3.972 5.016 1.00 0.00 H new ATOM 0 HA LYS A 25 102.867 -3.800 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.366 -5.136 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.520 -3.415 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.248 -3.962 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.990 -2.896 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.341 -4.463 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.305 -5.754 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.760 -5.902 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.416 -6.208 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.841 -4.487 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.137 -4.212 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.654 -3.424 8.898 1.00 0.00 H new ATOM 411 N TRP A 26 103.108 -6.502 3.462 1.00 0.00 N ATOM 412 CA TRP A 26 102.808 -7.941 3.217 1.00 0.00 C ATOM 413 C TRP A 26 103.103 -8.757 4.477 1.00 0.00 C ATOM 414 O TRP A 26 104.244 -9.062 4.761 1.00 0.00 O ATOM 415 CB TRP A 26 103.717 -8.468 2.100 1.00 0.00 C ATOM 416 CG TRP A 26 103.252 -7.981 0.768 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.929 -7.120 -0.023 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.037 -8.325 0.051 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.197 -6.903 -1.178 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.021 -7.628 -1.178 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.957 -9.167 0.351 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.965 -7.761 -2.080 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.891 -9.306 -0.552 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.895 -8.603 -1.767 1.00 0.00 C ATOM 0 H TRP A 26 104.054 -6.214 3.212 1.00 0.00 H new ATOM 0 HA TRP A 26 101.758 -8.035 2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.742 -8.142 2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.723 -9.558 2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.885 -6.674 0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.490 -6.285 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.945 -9.712 1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.975 -7.217 -3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.064 -9.957 -0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.073 -8.713 -2.458 1.00 0.00 H new ATOM 435 N LEU A 27 102.105 -9.154 5.216 1.00 0.00 N ATOM 436 CA LEU A 27 102.394 -9.989 6.415 1.00 0.00 C ATOM 437 C LEU A 27 103.112 -11.236 5.918 1.00 0.00 C ATOM 438 O LEU A 27 103.911 -11.840 6.606 1.00 0.00 O ATOM 439 CB LEU A 27 101.094 -10.395 7.114 1.00 0.00 C ATOM 440 CG LEU A 27 100.118 -9.217 7.162 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.120 -9.453 8.294 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.878 -7.912 7.425 1.00 0.00 C ATOM 0 H LEU A 27 101.122 -8.942 5.047 1.00 0.00 H new ATOM 0 HA LEU A 27 103.000 -9.434 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.637 -11.232 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.310 -10.737 8.126 1.00 0.00 H new ATOM 0 HG LEU A 27 99.598 -9.138 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.418 -8.620 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.574 -10.378 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.655 -9.529 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.174 -7.081 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.401 -7.981 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.601 -7.745 6.626 1.00 0.00 H new ATOM 454 N ASN A 28 102.828 -11.604 4.702 1.00 0.00 N ATOM 455 CA ASN A 28 103.470 -12.790 4.090 1.00 0.00 C ATOM 456 C ASN A 28 103.335 -12.670 2.573 1.00 0.00 C ATOM 457 O ASN A 28 102.453 -13.251 1.968 1.00 0.00 O ATOM 458 CB ASN A 28 102.777 -14.065 4.576 1.00 0.00 C ATOM 459 CG ASN A 28 103.602 -14.694 5.702 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.812 -14.584 5.716 1.00 0.00 O ATOM 461 ND2 ASN A 28 102.996 -15.352 6.651 1.00 0.00 N ATOM 0 H ASN A 28 102.164 -11.121 4.097 1.00 0.00 H new ATOM 0 HA ASN A 28 104.521 -12.840 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.773 -13.834 4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.669 -14.770 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.538 -15.774 7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 28 101.980 -15.444 6.639 1.00 0.00 H new ATOM 468 N LYS A 29 104.192 -11.904 1.951 1.00 0.00 N ATOM 469 CA LYS A 29 104.103 -11.743 0.474 1.00 0.00 C ATOM 470 C LYS A 29 104.304 -13.111 -0.175 1.00 0.00 C ATOM 471 O LYS A 29 103.886 -13.350 -1.290 1.00 0.00 O ATOM 472 CB LYS A 29 105.177 -10.759 -0.008 1.00 0.00 C ATOM 473 CG LYS A 29 105.268 -10.799 -1.538 1.00 0.00 C ATOM 474 CD LYS A 29 104.111 -10.000 -2.143 1.00 0.00 C ATOM 475 CE LYS A 29 103.051 -10.962 -2.683 1.00 0.00 C ATOM 476 NZ LYS A 29 103.588 -11.678 -3.874 1.00 0.00 N ATOM 0 H LYS A 29 104.946 -11.386 2.402 1.00 0.00 H new ATOM 0 HA LYS A 29 103.127 -11.346 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.934 -9.750 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 106.142 -11.016 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.221 -10.384 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.232 -11.831 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.673 -9.347 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.478 -9.360 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.769 -11.679 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.149 -10.412 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.803 -11.942 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 104.247 -11.057 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 104.089 -12.536 -3.567 1.00 0.00 H new ATOM 490 N GLU A 30 104.927 -14.021 0.526 1.00 0.00 N ATOM 491 CA GLU A 30 105.134 -15.381 -0.043 1.00 0.00 C ATOM 492 C GLU A 30 103.767 -16.026 -0.262 1.00 0.00 C ATOM 493 O GLU A 30 103.539 -16.716 -1.236 1.00 0.00 O ATOM 494 CB GLU A 30 105.952 -16.228 0.935 1.00 0.00 C ATOM 495 CG GLU A 30 105.881 -17.699 0.521 1.00 0.00 C ATOM 496 CD GLU A 30 107.297 -18.237 0.303 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.975 -17.727 -0.572 1.00 0.00 O ATOM 498 OE2 GLU A 30 107.677 -19.153 1.014 1.00 0.00 O ATOM 0 H GLU A 30 105.300 -13.880 1.465 1.00 0.00 H new ATOM 0 HA GLU A 30 105.672 -15.314 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.989 -15.892 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.568 -16.106 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 30 105.374 -18.280 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 30 105.296 -17.803 -0.393 1.00 0.00 H new ATOM 505 N LYS A 31 102.850 -15.789 0.634 1.00 0.00 N ATOM 506 CA LYS A 31 101.487 -16.366 0.484 1.00 0.00 C ATOM 507 C LYS A 31 100.539 -15.279 -0.036 1.00 0.00 C ATOM 508 O LYS A 31 99.365 -15.513 -0.245 1.00 0.00 O ATOM 509 CB LYS A 31 100.998 -16.883 1.838 1.00 0.00 C ATOM 510 CG LYS A 31 101.848 -18.082 2.263 1.00 0.00 C ATOM 511 CD LYS A 31 101.335 -19.345 1.567 1.00 0.00 C ATOM 512 CE LYS A 31 100.800 -20.322 2.616 1.00 0.00 C ATOM 513 NZ LYS A 31 101.834 -21.355 2.906 1.00 0.00 N ATOM 0 H LYS A 31 102.988 -15.217 1.468 1.00 0.00 H new ATOM 0 HA LYS A 31 101.511 -17.195 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 31 101.064 -16.093 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.949 -17.172 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 31 102.893 -17.910 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.804 -18.207 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 100.548 -19.089 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 102.138 -19.811 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.540 -19.786 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.888 -20.797 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 101.471 -22.019 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 102.061 -21.874 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 102.693 -20.894 3.268 1.00 0.00 H new ATOM 527 N LYS A 32 101.053 -14.091 -0.252 1.00 0.00 N ATOM 528 CA LYS A 32 100.218 -12.969 -0.776 1.00 0.00 C ATOM 529 C LYS A 32 99.247 -12.436 0.291 1.00 0.00 C ATOM 530 O LYS A 32 98.061 -12.320 0.054 1.00 0.00 O ATOM 531 CB LYS A 32 99.429 -13.441 -2.003 1.00 0.00 C ATOM 532 CG LYS A 32 100.117 -12.935 -3.271 1.00 0.00 C ATOM 533 CD LYS A 32 99.099 -12.205 -4.150 1.00 0.00 C ATOM 534 CE LYS A 32 99.248 -10.696 -3.956 1.00 0.00 C ATOM 535 NZ LYS A 32 99.188 -10.017 -5.281 1.00 0.00 N ATOM 0 H LYS A 32 102.030 -13.851 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 32 100.888 -12.156 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.372 -14.529 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.406 -13.068 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.935 -12.264 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 32 100.553 -13.771 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 32 99.254 -12.465 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.088 -12.518 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.456 -10.322 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.195 -10.473 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 99.289 -8.990 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 99.959 -10.367 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 98.274 -10.220 -5.734 1.00 0.00 H new ATOM 549 N ILE A 33 99.738 -12.074 1.451 1.00 0.00 N ATOM 550 CA ILE A 33 98.823 -11.508 2.494 1.00 0.00 C ATOM 551 C ILE A 33 99.307 -10.112 2.877 1.00 0.00 C ATOM 552 O ILE A 33 100.435 -9.932 3.297 1.00 0.00 O ATOM 553 CB ILE A 33 98.808 -12.381 3.746 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.235 -13.757 3.408 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.930 -11.706 4.804 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.311 -14.598 2.727 1.00 0.00 C ATOM 0 H ILE A 33 100.719 -12.144 1.720 1.00 0.00 H new ATOM 0 HA ILE A 33 97.815 -11.469 2.082 1.00 0.00 H new ATOM 0 HB ILE A 33 99.823 -12.502 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.890 -14.253 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.370 -13.653 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.910 -12.319 5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.338 -10.724 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.917 -11.594 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.906 -15.580 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.635 -14.103 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.162 -14.712 3.398 1.00 0.00 H new ATOM 568 N PHE A 34 98.476 -9.115 2.738 1.00 0.00 N ATOM 569 CA PHE A 34 98.922 -7.742 3.097 1.00 0.00 C ATOM 570 C PHE A 34 97.920 -7.086 4.046 1.00 0.00 C ATOM 571 O PHE A 34 96.731 -7.069 3.797 1.00 0.00 O ATOM 572 CB PHE A 34 99.056 -6.894 1.824 1.00 0.00 C ATOM 573 CG PHE A 34 97.689 -6.465 1.333 1.00 0.00 C ATOM 574 CD1 PHE A 34 97.053 -5.360 1.911 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.063 -7.167 0.293 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.793 -4.957 1.454 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.803 -6.762 -0.164 1.00 0.00 C ATOM 578 CZ PHE A 34 95.168 -5.657 0.416 1.00 0.00 C ATOM 0 H PHE A 34 97.518 -9.191 2.395 1.00 0.00 H new ATOM 0 HA PHE A 34 99.888 -7.807 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.669 -6.016 2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.565 -7.467 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.535 -4.818 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.552 -8.019 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.303 -4.106 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.320 -7.303 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.196 -5.345 0.062 1.00 0.00 H new ATOM 588 N GLN A 35 98.397 -6.526 5.125 1.00 0.00 N ATOM 589 CA GLN A 35 97.476 -5.849 6.075 1.00 0.00 C ATOM 590 C GLN A 35 97.611 -4.340 5.886 1.00 0.00 C ATOM 591 O GLN A 35 98.641 -3.844 5.476 1.00 0.00 O ATOM 592 CB GLN A 35 97.813 -6.255 7.526 1.00 0.00 C ATOM 593 CG GLN A 35 98.578 -5.140 8.253 1.00 0.00 C ATOM 594 CD GLN A 35 99.150 -5.673 9.569 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.975 -6.829 9.898 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.830 -4.872 10.342 1.00 0.00 N ATOM 0 H GLN A 35 99.383 -6.509 5.387 1.00 0.00 H new ATOM 0 HA GLN A 35 96.447 -6.149 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.893 -6.480 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.411 -7.166 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.384 -4.768 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 35 97.913 -4.299 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.978 -3.901 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.214 -5.217 11.222 1.00 0.00 H new ATOM 605 N ILE A 36 96.581 -3.610 6.175 1.00 0.00 N ATOM 606 CA ILE A 36 96.652 -2.136 6.009 1.00 0.00 C ATOM 607 C ILE A 36 96.226 -1.488 7.329 1.00 0.00 C ATOM 608 O ILE A 36 95.440 -2.058 8.049 1.00 0.00 O ATOM 609 CB ILE A 36 95.688 -1.736 4.882 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.340 -2.026 3.531 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.339 -0.248 4.957 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.364 -1.652 2.416 1.00 0.00 C ATOM 0 H ILE A 36 95.690 -3.968 6.520 1.00 0.00 H new ATOM 0 HA ILE A 36 97.660 -1.809 5.755 1.00 0.00 H new ATOM 0 HB ILE A 36 94.772 -2.315 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.264 -1.457 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.606 -3.081 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.655 0.007 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.864 -0.034 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.249 0.344 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.822 -1.856 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.452 -2.241 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.121 -0.592 2.486 1.00 0.00 H new ATOM 624 N PRO A 37 96.763 -0.322 7.609 1.00 0.00 N ATOM 625 CA PRO A 37 96.444 0.431 8.839 1.00 0.00 C ATOM 626 C PRO A 37 95.146 1.236 8.672 1.00 0.00 C ATOM 627 O PRO A 37 94.367 1.351 9.598 1.00 0.00 O ATOM 628 CB PRO A 37 97.638 1.358 9.006 1.00 0.00 C ATOM 629 CG PRO A 37 98.273 1.515 7.600 1.00 0.00 C ATOM 630 CD PRO A 37 97.758 0.339 6.745 1.00 0.00 C ATOM 0 HA PRO A 37 96.282 -0.216 9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.326 2.325 9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.357 0.942 9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.993 2.469 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.361 1.500 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.310 0.688 5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.566 -0.341 6.474 1.00 0.00 H new ATOM 638 N TRP A 38 94.888 1.776 7.505 1.00 0.00 N ATOM 639 CA TRP A 38 93.616 2.538 7.309 1.00 0.00 C ATOM 640 C TRP A 38 93.633 3.803 8.161 1.00 0.00 C ATOM 641 O TRP A 38 92.877 3.935 9.103 1.00 0.00 O ATOM 642 CB TRP A 38 92.459 1.651 7.741 1.00 0.00 C ATOM 643 CG TRP A 38 92.639 0.336 7.076 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.425 -0.662 7.521 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.055 -0.125 5.838 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.362 -1.713 6.622 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.518 -1.430 5.574 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.171 0.461 4.932 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.112 -2.129 4.442 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.758 -0.229 3.798 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.224 -1.526 3.548 1.00 0.00 C ATOM 0 H TRP A 38 95.496 1.723 6.688 1.00 0.00 H new ATOM 0 HA TRP A 38 93.508 2.821 6.262 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.447 1.535 8.825 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.506 2.098 7.458 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.009 -0.646 8.430 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.877 -2.587 6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.804 1.460 5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.479 -3.127 4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.073 0.238 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 38 90.898 -2.058 2.667 1.00 0.00 H new ATOM 662 N MET A 39 94.488 4.735 7.848 1.00 0.00 N ATOM 663 CA MET A 39 94.538 5.981 8.658 1.00 0.00 C ATOM 664 C MET A 39 94.538 5.598 10.141 1.00 0.00 C ATOM 665 O MET A 39 95.178 4.646 10.543 1.00 0.00 O ATOM 666 CB MET A 39 93.307 6.837 8.352 1.00 0.00 C ATOM 667 CG MET A 39 92.825 6.574 6.921 1.00 0.00 C ATOM 668 SD MET A 39 91.389 7.620 6.560 1.00 0.00 S ATOM 669 CE MET A 39 90.607 7.521 8.189 1.00 0.00 C ATOM 0 H MET A 39 95.149 4.689 7.073 1.00 0.00 H new ATOM 0 HA MET A 39 95.437 6.548 8.418 1.00 0.00 H new ATOM 0 HB2 MET A 39 92.510 6.609 9.060 1.00 0.00 H new ATOM 0 HB3 MET A 39 93.549 7.893 8.474 1.00 0.00 H new ATOM 0 HG2 MET A 39 93.627 6.783 6.213 1.00 0.00 H new ATOM 0 HG3 MET A 39 92.561 5.523 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 39 89.589 7.905 8.128 1.00 0.00 H new ATOM 0 HE2 MET A 39 90.584 6.482 8.519 1.00 0.00 H new ATOM 0 HE3 MET A 39 91.177 8.116 8.903 1.00 0.00 H new ATOM 679 N HIS A 40 93.823 6.320 10.962 1.00 0.00 N ATOM 680 CA HIS A 40 93.786 5.979 12.407 1.00 0.00 C ATOM 681 C HIS A 40 92.956 7.022 13.155 1.00 0.00 C ATOM 682 O HIS A 40 93.415 8.115 13.415 1.00 0.00 O ATOM 683 CB HIS A 40 95.208 5.959 12.965 1.00 0.00 C ATOM 684 CG HIS A 40 95.359 4.771 13.872 1.00 0.00 C ATOM 685 ND1 HIS A 40 95.450 4.902 15.247 1.00 0.00 N ATOM 686 CD2 HIS A 40 95.417 3.421 13.619 1.00 0.00 C ATOM 687 CE1 HIS A 40 95.553 3.667 15.764 1.00 0.00 C ATOM 688 NE2 HIS A 40 95.540 2.726 14.817 1.00 0.00 N ATOM 0 H HIS A 40 93.265 7.130 10.692 1.00 0.00 H new ATOM 0 HA HIS A 40 93.334 4.995 12.536 1.00 0.00 H new ATOM 0 HB2 HIS A 40 95.931 5.906 12.151 1.00 0.00 H new ATOM 0 HB3 HIS A 40 95.411 6.879 13.513 1.00 0.00 H new ATOM 0 HD2 HIS A 40 95.374 2.969 12.639 1.00 0.00 H new ATOM 0 HE1 HIS A 40 95.636 3.460 16.821 1.00 0.00 H new ATOM 0 HE2 HIS A 40 95.606 1.716 14.945 1.00 0.00 H new ATOM 696 N ALA A 41 91.737 6.678 13.501 1.00 0.00 N ATOM 697 CA ALA A 41 90.846 7.622 14.247 1.00 0.00 C ATOM 698 C ALA A 41 90.032 8.487 13.281 1.00 0.00 C ATOM 699 O ALA A 41 88.839 8.306 13.133 1.00 0.00 O ATOM 700 CB ALA A 41 91.682 8.532 15.146 1.00 0.00 C ATOM 0 H ALA A 41 91.317 5.771 13.295 1.00 0.00 H new ATOM 0 HA ALA A 41 90.162 7.028 14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 41 91.025 9.215 15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 41 92.239 7.926 15.860 1.00 0.00 H new ATOM 0 HB3 ALA A 41 92.379 9.105 14.535 1.00 0.00 H new ATOM 706 N ALA A 42 90.655 9.439 12.642 1.00 0.00 N ATOM 707 CA ALA A 42 89.904 10.331 11.711 1.00 0.00 C ATOM 708 C ALA A 42 88.919 9.517 10.873 1.00 0.00 C ATOM 709 O ALA A 42 89.290 8.852 9.929 1.00 0.00 O ATOM 710 CB ALA A 42 90.882 11.064 10.790 1.00 0.00 C ATOM 0 H ALA A 42 91.652 9.638 12.724 1.00 0.00 H new ATOM 0 HA ALA A 42 89.347 11.060 12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 42 90.327 11.713 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 42 91.566 11.665 11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 42 91.451 10.337 10.210 1.00 0.00 H new ATOM 716 N ARG A 43 87.663 9.573 11.215 1.00 0.00 N ATOM 717 CA ARG A 43 86.642 8.813 10.446 1.00 0.00 C ATOM 718 C ARG A 43 86.741 9.165 8.959 1.00 0.00 C ATOM 719 O ARG A 43 86.339 8.395 8.109 1.00 0.00 O ATOM 720 CB ARG A 43 85.248 9.176 10.962 1.00 0.00 C ATOM 721 CG ARG A 43 85.047 8.573 12.353 1.00 0.00 C ATOM 722 CD ARG A 43 85.064 7.047 12.253 1.00 0.00 C ATOM 723 NE ARG A 43 84.526 6.457 13.512 1.00 0.00 N ATOM 724 CZ ARG A 43 84.142 5.208 13.536 1.00 0.00 C ATOM 725 NH1 ARG A 43 84.225 4.474 12.459 1.00 0.00 N ATOM 726 NH2 ARG A 43 83.674 4.694 14.640 1.00 0.00 N ATOM 0 H ARG A 43 87.299 10.115 11.998 1.00 0.00 H new ATOM 0 HA ARG A 43 86.817 7.745 10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 43 85.134 10.259 11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 43 84.486 8.802 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 85.834 8.913 13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.100 8.910 12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 43 84.465 6.722 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 43 86.081 6.695 12.080 1.00 0.00 H new ATOM 0 HE ARG A 43 84.458 7.028 14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 43 84.590 4.875 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.924 3.500 12.482 1.00 0.00 H new ATOM 0 HH21 ARG A 43 83.609 5.267 15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 43 83.374 3.719 14.662 1.00 0.00 H new ATOM 740 N HIS A 44 87.266 10.316 8.627 1.00 0.00 N ATOM 741 CA HIS A 44 87.367 10.678 7.185 1.00 0.00 C ATOM 742 C HIS A 44 88.694 11.382 6.884 1.00 0.00 C ATOM 743 O HIS A 44 89.548 10.835 6.214 1.00 0.00 O ATOM 744 CB HIS A 44 86.198 11.580 6.793 1.00 0.00 C ATOM 745 CG HIS A 44 85.252 10.796 5.933 1.00 0.00 C ATOM 746 ND1 HIS A 44 84.573 9.624 6.157 1.00 0.00 N flip ATOM 747 CD2 HIS A 44 84.910 11.193 4.652 1.00 0.00 C flip ATOM 748 CE1 HIS A 44 83.821 9.296 5.035 1.00 0.00 C flip ATOM 749 NE2 HIS A 44 84.062 10.274 4.158 1.00 0.00 N flip ATOM 0 H HIS A 44 87.624 11.011 9.282 1.00 0.00 H new ATOM 0 HA HIS A 44 87.329 9.759 6.599 1.00 0.00 H new ATOM 0 HB2 HIS A 44 85.686 11.943 7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 44 86.561 12.456 6.255 1.00 0.00 H new ATOM 0 HD1 HIS A 44 84.614 9.077 7.017 1.00 0.00 H new ATOM 0 HD2 HIS A 44 85.260 12.079 4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 44 83.181 8.437 4.901 1.00 0.00 H new ATOM 757 N GLY A 45 88.881 12.590 7.345 1.00 0.00 N ATOM 758 CA GLY A 45 90.164 13.290 7.034 1.00 0.00 C ATOM 759 C GLY A 45 90.509 14.353 8.087 1.00 0.00 C ATOM 760 O GLY A 45 90.148 15.506 7.965 1.00 0.00 O ATOM 0 H GLY A 45 88.216 13.115 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 45 90.971 12.560 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 45 90.092 13.761 6.054 1.00 0.00 H new ATOM 764 N TRP A 46 91.244 13.974 9.097 1.00 0.00 N ATOM 765 CA TRP A 46 91.668 14.951 10.149 1.00 0.00 C ATOM 766 C TRP A 46 92.751 14.297 10.997 1.00 0.00 C ATOM 767 O TRP A 46 92.898 14.575 12.170 1.00 0.00 O ATOM 768 CB TRP A 46 90.505 15.335 11.061 1.00 0.00 C ATOM 769 CG TRP A 46 89.366 14.413 10.839 1.00 0.00 C ATOM 770 CD1 TRP A 46 89.209 13.213 11.427 1.00 0.00 C ATOM 771 CD2 TRP A 46 88.229 14.603 9.972 1.00 0.00 C ATOM 772 NE1 TRP A 46 88.036 12.646 10.966 1.00 0.00 N ATOM 773 CE2 TRP A 46 87.389 13.475 10.071 1.00 0.00 C ATOM 774 CE3 TRP A 46 87.856 15.646 9.121 1.00 0.00 C ATOM 775 CZ2 TRP A 46 86.206 13.387 9.343 1.00 0.00 C ATOM 776 CZ3 TRP A 46 86.666 15.567 8.381 1.00 0.00 C ATOM 777 CH2 TRP A 46 85.839 14.438 8.495 1.00 0.00 C ATOM 0 H TRP A 46 91.574 13.020 9.242 1.00 0.00 H new ATOM 0 HA TRP A 46 92.031 15.854 9.658 1.00 0.00 H new ATOM 0 HB2 TRP A 46 90.820 15.294 12.104 1.00 0.00 H new ATOM 0 HB3 TRP A 46 90.198 16.362 10.861 1.00 0.00 H new ATOM 0 HD1 TRP A 46 89.887 12.767 12.140 1.00 0.00 H new ATOM 0 HE1 TRP A 46 87.691 11.729 11.251 1.00 0.00 H new ATOM 0 HE3 TRP A 46 88.487 16.518 9.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 85.576 12.514 9.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 86.386 16.376 7.723 1.00 0.00 H new ATOM 0 HH2 TRP A 46 84.921 14.381 7.929 1.00 0.00 H new ATOM 788 N ASP A 47 93.494 13.414 10.404 1.00 0.00 N ATOM 789 CA ASP A 47 94.563 12.698 11.148 1.00 0.00 C ATOM 790 C ASP A 47 95.008 11.500 10.313 1.00 0.00 C ATOM 791 O ASP A 47 95.270 10.429 10.826 1.00 0.00 O ATOM 792 CB ASP A 47 94.004 12.206 12.486 1.00 0.00 C ATOM 793 CG ASP A 47 94.850 12.759 13.634 1.00 0.00 C ATOM 794 OD1 ASP A 47 95.219 13.920 13.566 1.00 0.00 O ATOM 795 OD2 ASP A 47 95.113 12.012 14.563 1.00 0.00 O ATOM 0 H ASP A 47 93.407 13.153 9.422 1.00 0.00 H new ATOM 0 HA ASP A 47 95.407 13.363 11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 47 92.968 12.526 12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 47 94.005 11.116 12.513 1.00 0.00 H new ATOM 800 N VAL A 48 95.078 11.676 9.026 1.00 0.00 N ATOM 801 CA VAL A 48 95.487 10.557 8.134 1.00 0.00 C ATOM 802 C VAL A 48 96.813 10.902 7.458 1.00 0.00 C ATOM 803 O VAL A 48 96.883 11.062 6.259 1.00 0.00 O ATOM 804 CB VAL A 48 94.404 10.354 7.072 1.00 0.00 C ATOM 805 CG1 VAL A 48 94.548 8.966 6.445 1.00 0.00 C ATOM 806 CG2 VAL A 48 93.023 10.478 7.724 1.00 0.00 C ATOM 0 H VAL A 48 94.868 12.553 8.549 1.00 0.00 H new ATOM 0 HA VAL A 48 95.611 9.643 8.715 1.00 0.00 H new ATOM 0 HB VAL A 48 94.513 11.112 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.775 8.826 5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 48 95.530 8.877 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 94.442 8.205 7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.250 10.334 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 48 92.918 9.720 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.917 11.468 8.167 1.00 0.00 H new ATOM 816 N GLU A 49 97.867 11.019 8.218 1.00 0.00 N ATOM 817 CA GLU A 49 99.187 11.357 7.613 1.00 0.00 C ATOM 818 C GLU A 49 99.849 10.082 7.081 1.00 0.00 C ATOM 819 O GLU A 49 100.791 10.134 6.315 1.00 0.00 O ATOM 820 CB GLU A 49 100.085 11.995 8.676 1.00 0.00 C ATOM 821 CG GLU A 49 101.533 12.020 8.180 1.00 0.00 C ATOM 822 CD GLU A 49 102.325 13.066 8.967 1.00 0.00 C ATOM 823 OE1 GLU A 49 102.734 12.761 10.075 1.00 0.00 O ATOM 824 OE2 GLU A 49 102.508 14.156 8.448 1.00 0.00 O ATOM 0 H GLU A 49 97.872 10.895 9.230 1.00 0.00 H new ATOM 0 HA GLU A 49 99.041 12.058 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 49 99.747 13.009 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.019 11.432 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.987 11.037 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.560 12.253 7.116 1.00 0.00 H new ATOM 831 N LYS A 50 99.367 8.938 7.481 1.00 0.00 N ATOM 832 CA LYS A 50 99.974 7.667 6.998 1.00 0.00 C ATOM 833 C LYS A 50 99.175 7.131 5.810 1.00 0.00 C ATOM 834 O LYS A 50 99.722 6.559 4.889 1.00 0.00 O ATOM 835 CB LYS A 50 99.960 6.631 8.124 1.00 0.00 C ATOM 836 CG LYS A 50 100.833 7.122 9.282 1.00 0.00 C ATOM 837 CD LYS A 50 99.994 7.991 10.220 1.00 0.00 C ATOM 838 CE LYS A 50 100.005 7.384 11.623 1.00 0.00 C ATOM 839 NZ LYS A 50 101.079 8.025 12.432 1.00 0.00 N ATOM 0 H LYS A 50 98.580 8.829 8.121 1.00 0.00 H new ATOM 0 HA LYS A 50 101.002 7.857 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.939 6.467 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.330 5.674 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.245 6.272 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.678 7.694 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.393 9.005 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 50 98.971 8.061 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.037 7.531 12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.172 6.308 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 101.087 7.613 13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 102.000 7.863 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.901 9.047 12.498 1.00 0.00 H new ATOM 853 N ASP A 51 97.884 7.306 5.826 1.00 0.00 N ATOM 854 CA ASP A 51 97.051 6.799 4.698 1.00 0.00 C ATOM 855 C ASP A 51 96.790 7.930 3.698 1.00 0.00 C ATOM 856 O ASP A 51 96.084 7.757 2.723 1.00 0.00 O ATOM 857 CB ASP A 51 95.719 6.282 5.244 1.00 0.00 C ATOM 858 CG ASP A 51 95.489 4.845 4.770 1.00 0.00 C ATOM 859 OD1 ASP A 51 96.428 4.248 4.267 1.00 0.00 O ATOM 860 OD2 ASP A 51 94.378 4.364 4.918 1.00 0.00 O ATOM 0 H ASP A 51 97.369 7.777 6.570 1.00 0.00 H new ATOM 0 HA ASP A 51 97.579 5.989 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.723 6.319 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 51 94.904 6.921 4.906 1.00 0.00 H new ATOM 865 N ALA A 52 97.352 9.086 3.930 1.00 0.00 N ATOM 866 CA ALA A 52 97.135 10.225 2.995 1.00 0.00 C ATOM 867 C ALA A 52 98.196 10.293 1.867 1.00 0.00 C ATOM 868 O ALA A 52 97.949 10.952 0.876 1.00 0.00 O ATOM 869 CB ALA A 52 97.152 11.535 3.778 1.00 0.00 C ATOM 0 H ALA A 52 97.953 9.290 4.729 1.00 0.00 H new ATOM 0 HA ALA A 52 96.167 10.067 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.993 12.369 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 52 96.359 11.522 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 52 98.116 11.650 4.274 1.00 0.00 H new ATOM 875 N PRO A 53 99.341 9.637 2.004 1.00 0.00 N ATOM 876 CA PRO A 53 100.364 9.685 0.946 1.00 0.00 C ATOM 877 C PRO A 53 99.906 8.837 -0.239 1.00 0.00 C ATOM 878 O PRO A 53 100.339 9.022 -1.360 1.00 0.00 O ATOM 879 CB PRO A 53 101.622 9.124 1.614 1.00 0.00 C ATOM 880 CG PRO A 53 101.139 8.294 2.822 1.00 0.00 C ATOM 881 CD PRO A 53 99.724 8.798 3.163 1.00 0.00 C ATOM 0 HA PRO A 53 100.545 10.684 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.188 8.505 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.283 9.929 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.124 7.231 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.810 8.419 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.030 7.969 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.720 9.374 4.089 1.00 0.00 H new ATOM 889 N LEU A 54 99.000 7.934 0.001 1.00 0.00 N ATOM 890 CA LEU A 54 98.463 7.097 -1.106 1.00 0.00 C ATOM 891 C LEU A 54 97.161 7.742 -1.532 1.00 0.00 C ATOM 892 O LEU A 54 96.932 8.071 -2.676 1.00 0.00 O ATOM 893 CB LEU A 54 98.138 5.685 -0.611 1.00 0.00 C ATOM 894 CG LEU A 54 99.388 4.924 -0.149 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.535 5.878 0.200 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.009 4.118 1.091 1.00 0.00 C ATOM 0 H LEU A 54 98.606 7.738 0.921 1.00 0.00 H new ATOM 0 HA LEU A 54 99.193 7.029 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.428 5.747 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.651 5.126 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 54 99.732 4.278 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.402 5.302 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.798 6.468 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.222 6.544 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.879 3.564 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.666 4.795 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.211 3.419 0.841 1.00 0.00 H new ATOM 908 N PHE A 55 96.313 7.939 -0.574 1.00 0.00 N ATOM 909 CA PHE A 55 95.011 8.581 -0.828 1.00 0.00 C ATOM 910 C PHE A 55 95.219 9.777 -1.763 1.00 0.00 C ATOM 911 O PHE A 55 94.334 10.165 -2.495 1.00 0.00 O ATOM 912 CB PHE A 55 94.479 9.063 0.516 1.00 0.00 C ATOM 913 CG PHE A 55 93.343 8.185 0.970 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.368 7.771 0.058 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.268 7.786 2.308 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.316 6.954 0.486 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.218 6.971 2.738 1.00 0.00 C ATOM 918 CZ PHE A 55 91.240 6.553 1.827 1.00 0.00 C ATOM 0 H PHE A 55 96.474 7.674 0.398 1.00 0.00 H new ATOM 0 HA PHE A 55 94.309 7.889 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.278 9.049 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.139 10.095 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.427 8.081 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.023 8.108 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.562 6.632 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.161 6.664 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.428 5.922 2.157 1.00 0.00 H new ATOM 928 N ARG A 56 96.389 10.360 -1.739 1.00 0.00 N ATOM 929 CA ARG A 56 96.667 11.527 -2.627 1.00 0.00 C ATOM 930 C ARG A 56 96.906 11.022 -4.048 1.00 0.00 C ATOM 931 O ARG A 56 96.368 11.549 -5.002 1.00 0.00 O ATOM 932 CB ARG A 56 97.915 12.258 -2.128 1.00 0.00 C ATOM 933 CG ARG A 56 97.944 13.680 -2.696 1.00 0.00 C ATOM 934 CD ARG A 56 98.653 13.684 -4.054 1.00 0.00 C ATOM 935 NE ARG A 56 99.817 14.620 -4.006 1.00 0.00 N ATOM 936 CZ ARG A 56 100.975 14.222 -3.542 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.132 12.998 -3.115 1.00 0.00 N ATOM 938 NH2 ARG A 56 101.980 15.052 -3.507 1.00 0.00 N ATOM 0 H ARG A 56 97.166 10.077 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 56 95.819 12.212 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.917 12.291 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.811 11.717 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.928 14.058 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.459 14.347 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.992 12.678 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.959 13.989 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 56 99.708 15.578 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.349 12.344 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.037 12.696 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 56 101.863 16.009 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.883 14.744 -3.146 1.00 0.00 H new ATOM 952 N ASN A 57 97.698 9.992 -4.205 1.00 0.00 N ATOM 953 CA ASN A 57 97.945 9.460 -5.573 1.00 0.00 C ATOM 954 C ASN A 57 96.599 9.323 -6.295 1.00 0.00 C ATOM 955 O ASN A 57 96.539 9.324 -7.508 1.00 0.00 O ATOM 956 CB ASN A 57 98.682 8.112 -5.491 1.00 0.00 C ATOM 957 CG ASN A 57 97.695 6.960 -5.318 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.643 6.341 -4.173 1.00 0.00 O flip ATOM 959 ND2 ASN A 57 96.982 6.611 -6.236 1.00 0.00 N flip ATOM 0 H ASN A 57 98.179 9.502 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 57 98.580 10.144 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.270 7.959 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.381 8.126 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.027 7.099 -7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.338 5.830 -6.113 1.00 0.00 H new ATOM 966 N TRP A 58 95.513 9.243 -5.560 1.00 0.00 N ATOM 967 CA TRP A 58 94.172 9.160 -6.212 1.00 0.00 C ATOM 968 C TRP A 58 94.081 10.289 -7.236 1.00 0.00 C ATOM 969 O TRP A 58 95.020 11.032 -7.438 1.00 0.00 O ATOM 970 CB TRP A 58 93.071 9.392 -5.168 1.00 0.00 C ATOM 971 CG TRP A 58 92.537 8.098 -4.644 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.291 7.927 -4.143 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.195 6.805 -4.546 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.145 6.612 -3.745 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.291 5.881 -3.973 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.473 6.348 -4.895 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.644 4.553 -3.753 1.00 0.00 C ATOM 978 CZ3 TRP A 58 94.833 5.009 -4.675 1.00 0.00 C ATOM 979 CH2 TRP A 58 93.920 4.113 -4.106 1.00 0.00 C ATOM 0 H TRP A 58 95.501 9.232 -4.540 1.00 0.00 H new ATOM 0 HA TRP A 58 94.047 8.181 -6.674 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.468 9.984 -4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.260 9.969 -5.613 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.534 8.694 -4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.294 6.229 -3.333 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.185 7.030 -5.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 91.935 3.868 -3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 95.821 4.668 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.203 3.084 -3.941 1.00 0.00 H new ATOM 990 N ALA A 59 92.951 10.457 -7.859 1.00 0.00 N ATOM 991 CA ALA A 59 92.814 11.571 -8.833 1.00 0.00 C ATOM 992 C ALA A 59 93.936 11.492 -9.873 1.00 0.00 C ATOM 993 O ALA A 59 93.797 10.867 -10.902 1.00 0.00 O ATOM 994 CB ALA A 59 92.915 12.897 -8.074 1.00 0.00 C ATOM 0 H ALA A 59 92.122 9.876 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 59 91.853 11.501 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.816 13.726 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.119 12.953 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.882 12.958 -7.574 1.00 0.00 H new ATOM 1000 N ILE A 60 95.044 12.131 -9.612 1.00 0.00 N ATOM 1001 CA ILE A 60 96.177 12.106 -10.583 1.00 0.00 C ATOM 1002 C ILE A 60 96.363 10.691 -11.142 1.00 0.00 C ATOM 1003 O ILE A 60 96.099 10.431 -12.298 1.00 0.00 O ATOM 1004 CB ILE A 60 97.459 12.543 -9.870 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.228 13.896 -9.195 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.594 12.672 -10.888 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.343 13.737 -7.678 1.00 0.00 C ATOM 0 H ILE A 60 95.215 12.672 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 60 95.958 12.786 -11.406 1.00 0.00 H new ATOM 0 HB ILE A 60 97.728 11.800 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.959 14.622 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 60 96.243 14.281 -9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.506 12.983 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.759 11.710 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.326 13.415 -11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.178 14.701 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 60 96.595 13.025 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 98.338 13.371 -7.425 1.00 0.00 H new ATOM 1019 N HIS A 61 96.833 9.782 -10.333 1.00 0.00 N ATOM 1020 CA HIS A 61 97.055 8.386 -10.812 1.00 0.00 C ATOM 1021 C HIS A 61 95.767 7.811 -11.409 1.00 0.00 C ATOM 1022 O HIS A 61 95.738 7.382 -12.544 1.00 0.00 O ATOM 1023 CB HIS A 61 97.501 7.514 -9.638 1.00 0.00 C ATOM 1024 CG HIS A 61 97.664 6.093 -10.102 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.876 5.600 -10.555 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.777 5.049 -10.193 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.689 4.312 -10.895 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.426 3.925 -10.694 1.00 0.00 N ATOM 0 H HIS A 61 97.074 9.946 -9.356 1.00 0.00 H new ATOM 0 HA HIS A 61 97.825 8.397 -11.583 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.442 7.885 -9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.766 7.563 -8.835 1.00 0.00 H new ATOM 0 HD1 HIS A 61 99.752 6.119 -10.619 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.734 5.094 -9.917 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.465 3.669 -11.283 1.00 0.00 H new ATOM 1036 N THR A 62 94.704 7.784 -10.652 1.00 0.00 N ATOM 1037 CA THR A 62 93.427 7.222 -11.180 1.00 0.00 C ATOM 1038 C THR A 62 93.144 7.783 -12.578 1.00 0.00 C ATOM 1039 O THR A 62 92.419 7.196 -13.355 1.00 0.00 O ATOM 1040 CB THR A 62 92.278 7.587 -10.238 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.294 8.986 -9.994 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.439 6.835 -8.917 1.00 0.00 C ATOM 0 H THR A 62 94.664 8.126 -9.692 1.00 0.00 H new ATOM 0 HA THR A 62 93.515 6.137 -11.244 1.00 0.00 H new ATOM 0 HB THR A 62 91.330 7.309 -10.697 1.00 0.00 H new ATOM 0 HG1 THR A 62 92.888 9.424 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.620 7.096 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.425 5.761 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.387 7.110 -8.455 1.00 0.00 H new ATOM 1050 N GLY A 63 93.706 8.914 -12.905 1.00 0.00 N ATOM 1051 CA GLY A 63 93.463 9.503 -14.251 1.00 0.00 C ATOM 1052 C GLY A 63 92.100 10.197 -14.265 1.00 0.00 C ATOM 1053 O GLY A 63 91.213 9.826 -15.007 1.00 0.00 O ATOM 0 H GLY A 63 94.322 9.455 -12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.249 10.217 -14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.494 8.723 -15.012 1.00 0.00 H new ATOM 1057 N LYS A 64 91.926 11.201 -13.451 1.00 0.00 N ATOM 1058 CA LYS A 64 90.619 11.917 -13.419 1.00 0.00 C ATOM 1059 C LYS A 64 90.861 13.403 -13.147 1.00 0.00 C ATOM 1060 O LYS A 64 90.438 14.259 -13.898 1.00 0.00 O ATOM 1061 CB LYS A 64 89.743 11.330 -12.309 1.00 0.00 C ATOM 1062 CG LYS A 64 88.741 10.345 -12.917 1.00 0.00 C ATOM 1063 CD LYS A 64 88.072 9.539 -11.802 1.00 0.00 C ATOM 1064 CE LYS A 64 87.858 8.098 -12.272 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.620 7.551 -11.649 1.00 0.00 N ATOM 0 H LYS A 64 92.632 11.557 -12.807 1.00 0.00 H new ATOM 0 HA LYS A 64 90.115 11.800 -14.378 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.364 10.824 -11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.214 12.128 -11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 64 87.988 10.885 -13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.250 9.674 -13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.693 9.552 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.117 9.991 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 64 87.775 8.067 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.717 7.484 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 86.474 6.572 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.716 7.567 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 85.804 8.132 -11.930 1.00 0.00 H new ATOM 1079 N HIS A 65 91.542 13.717 -12.079 1.00 0.00 N ATOM 1080 CA HIS A 65 91.815 15.147 -11.761 1.00 0.00 C ATOM 1081 C HIS A 65 93.272 15.468 -12.116 1.00 0.00 C ATOM 1082 O HIS A 65 94.107 14.591 -12.212 1.00 0.00 O ATOM 1083 CB HIS A 65 91.561 15.389 -10.261 1.00 0.00 C ATOM 1084 CG HIS A 65 92.433 16.509 -9.747 1.00 0.00 C ATOM 1085 ND1 HIS A 65 93.722 16.518 -9.271 1.00 0.00 N flip ATOM 1086 CD2 HIS A 65 91.999 17.824 -9.687 1.00 0.00 C flip ATOM 1087 CE1 HIS A 65 94.084 17.815 -8.920 1.00 0.00 C flip ATOM 1088 NE2 HIS A 65 93.011 18.563 -9.191 1.00 0.00 N flip ATOM 0 H HIS A 65 91.921 13.044 -11.413 1.00 0.00 H new ATOM 0 HA HIS A 65 91.157 15.796 -12.339 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.511 15.635 -10.100 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.764 14.476 -9.701 1.00 0.00 H new ATOM 0 HD1 HIS A 65 94.323 15.698 -9.188 1.00 0.00 H new ATOM 0 HD2 HIS A 65 91.027 18.190 -9.984 1.00 0.00 H new ATOM 0 HE1 HIS A 65 95.029 18.146 -8.515 1.00 0.00 H new ATOM 1096 N GLN A 66 93.579 16.723 -12.304 1.00 0.00 N ATOM 1097 CA GLN A 66 94.978 17.105 -12.643 1.00 0.00 C ATOM 1098 C GLN A 66 95.314 18.434 -11.960 1.00 0.00 C ATOM 1099 O GLN A 66 94.472 19.304 -11.856 1.00 0.00 O ATOM 1100 CB GLN A 66 95.112 17.257 -14.159 1.00 0.00 C ATOM 1101 CG GLN A 66 95.576 15.929 -14.761 1.00 0.00 C ATOM 1102 CD GLN A 66 94.360 15.118 -15.211 1.00 0.00 C ATOM 1103 OE1 GLN A 66 94.127 14.029 -14.725 1.00 0.00 O ATOM 1104 NE2 GLN A 66 93.567 15.605 -16.127 1.00 0.00 N ATOM 0 H GLN A 66 92.921 17.499 -12.237 1.00 0.00 H new ATOM 0 HA GLN A 66 95.665 16.333 -12.298 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.156 17.552 -14.592 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.826 18.046 -14.395 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.237 16.113 -15.608 1.00 0.00 H new ATOM 0 HG3 GLN A 66 96.150 15.365 -14.026 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.761 16.519 -16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 66 92.753 15.071 -16.433 1.00 0.00 H new ATOM 1113 N PRO A 67 96.536 18.549 -11.506 1.00 0.00 N ATOM 1114 CA PRO A 67 97.015 19.759 -10.818 1.00 0.00 C ATOM 1115 C PRO A 67 97.328 20.864 -11.832 1.00 0.00 C ATOM 1116 O PRO A 67 98.182 20.713 -12.684 1.00 0.00 O ATOM 1117 CB PRO A 67 98.288 19.288 -10.112 1.00 0.00 C ATOM 1118 CG PRO A 67 98.774 18.033 -10.876 1.00 0.00 C ATOM 1119 CD PRO A 67 97.553 17.485 -11.638 1.00 0.00 C ATOM 0 HA PRO A 67 96.282 20.180 -10.130 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.049 20.068 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.088 19.053 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.580 18.286 -11.565 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.167 17.287 -10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.791 17.289 -12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.205 16.546 -11.209 1.00 0.00 H new ATOM 1127 N GLY A 68 96.644 21.971 -11.747 1.00 0.00 N ATOM 1128 CA GLY A 68 96.903 23.081 -12.706 1.00 0.00 C ATOM 1129 C GLY A 68 95.820 23.088 -13.786 1.00 0.00 C ATOM 1130 O GLY A 68 95.496 24.116 -14.348 1.00 0.00 O ATOM 0 H GLY A 68 95.917 22.155 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.912 24.035 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.885 22.959 -13.162 1.00 0.00 H new ATOM 1134 N ILE A 69 95.255 21.948 -14.080 1.00 0.00 N ATOM 1135 CA ILE A 69 94.191 21.890 -15.122 1.00 0.00 C ATOM 1136 C ILE A 69 92.819 21.853 -14.443 1.00 0.00 C ATOM 1137 O ILE A 69 91.823 22.256 -15.008 1.00 0.00 O ATOM 1138 CB ILE A 69 94.377 20.633 -15.973 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.787 20.626 -16.569 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.348 20.621 -17.105 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.953 19.406 -17.477 1.00 0.00 C ATOM 0 H ILE A 69 95.484 21.055 -13.644 1.00 0.00 H new ATOM 0 HA ILE A 69 94.257 22.770 -15.761 1.00 0.00 H new ATOM 0 HB ILE A 69 94.239 19.750 -15.348 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.957 21.541 -17.137 1.00 0.00 H new ATOM 0 HG13 ILE A 69 96.530 20.603 -15.772 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.483 19.724 -17.710 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.343 20.626 -16.683 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.484 21.504 -17.730 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.957 19.402 -17.901 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.801 18.497 -16.896 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.220 19.449 -18.282 1.00 0.00 H new ATOM 1153 N ASP A 70 92.763 21.372 -13.229 1.00 0.00 N ATOM 1154 CA ASP A 70 91.459 21.310 -12.510 1.00 0.00 C ATOM 1155 C ASP A 70 91.711 21.369 -11.001 1.00 0.00 C ATOM 1156 O ASP A 70 92.798 21.096 -10.534 1.00 0.00 O ATOM 1157 CB ASP A 70 90.746 20.000 -12.853 1.00 0.00 C ATOM 1158 CG ASP A 70 89.545 20.291 -13.755 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.749 21.142 -13.392 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.441 19.658 -14.792 1.00 0.00 O ATOM 0 H ASP A 70 93.564 21.020 -12.705 1.00 0.00 H new ATOM 0 HA ASP A 70 90.836 22.152 -12.813 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.434 19.320 -13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.416 19.504 -11.940 1.00 0.00 H new ATOM 1165 N LYS A 71 90.715 21.720 -10.233 1.00 0.00 N ATOM 1166 CA LYS A 71 90.908 21.788 -8.757 1.00 0.00 C ATOM 1167 C LYS A 71 90.848 20.372 -8.175 1.00 0.00 C ATOM 1168 O LYS A 71 90.125 19.532 -8.672 1.00 0.00 O ATOM 1169 CB LYS A 71 89.803 22.641 -8.129 1.00 0.00 C ATOM 1170 CG LYS A 71 89.718 23.986 -8.852 1.00 0.00 C ATOM 1171 CD LYS A 71 88.296 24.193 -9.372 1.00 0.00 C ATOM 1172 CE LYS A 71 87.664 25.397 -8.670 1.00 0.00 C ATOM 1173 NZ LYS A 71 86.180 25.249 -8.669 1.00 0.00 N ATOM 0 H LYS A 71 89.780 21.961 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 71 91.877 22.237 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.847 22.121 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 71 90.009 22.798 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 71 89.990 24.794 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 71 90.427 24.012 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 71 88.312 24.355 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 87.698 23.299 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 71 88.034 25.470 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.948 26.318 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.750 26.067 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 85.835 25.199 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.918 24.378 -8.165 1.00 0.00 H new ATOM 1187 N PRO A 72 91.612 20.153 -7.135 1.00 0.00 N ATOM 1188 CA PRO A 72 91.669 18.848 -6.457 1.00 0.00 C ATOM 1189 C PRO A 72 90.438 18.664 -5.565 1.00 0.00 C ATOM 1190 O PRO A 72 89.995 19.583 -4.906 1.00 0.00 O ATOM 1191 CB PRO A 72 92.947 18.934 -5.618 1.00 0.00 C ATOM 1192 CG PRO A 72 93.235 20.442 -5.419 1.00 0.00 C ATOM 1193 CD PRO A 72 92.484 21.185 -6.538 1.00 0.00 C ATOM 0 HA PRO A 72 91.677 18.003 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.817 18.433 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.778 18.443 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.896 20.775 -4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.305 20.642 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.903 22.018 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 72 93.173 21.599 -7.274 1.00 0.00 H new ATOM 1201 N ASP A 73 89.881 17.484 -5.542 1.00 0.00 N ATOM 1202 CA ASP A 73 88.678 17.248 -4.697 1.00 0.00 C ATOM 1203 C ASP A 73 88.874 15.974 -3.865 1.00 0.00 C ATOM 1204 O ASP A 73 88.817 14.880 -4.394 1.00 0.00 O ATOM 1205 CB ASP A 73 87.452 17.082 -5.598 1.00 0.00 C ATOM 1206 CG ASP A 73 87.017 18.450 -6.128 1.00 0.00 C ATOM 1207 OD1 ASP A 73 87.205 19.425 -5.418 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.505 18.500 -7.233 1.00 0.00 O ATOM 0 H ASP A 73 90.207 16.675 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 73 88.532 18.097 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.686 16.416 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.637 16.621 -5.040 1.00 0.00 H new ATOM 1213 N PRO A 74 89.095 16.149 -2.584 1.00 0.00 N ATOM 1214 CA PRO A 74 89.298 15.023 -1.654 1.00 0.00 C ATOM 1215 C PRO A 74 87.956 14.371 -1.304 1.00 0.00 C ATOM 1216 O PRO A 74 87.889 13.456 -0.509 1.00 0.00 O ATOM 1217 CB PRO A 74 89.921 15.683 -0.421 1.00 0.00 C ATOM 1218 CG PRO A 74 89.521 17.177 -0.479 1.00 0.00 C ATOM 1219 CD PRO A 74 89.163 17.479 -1.945 1.00 0.00 C ATOM 0 HA PRO A 74 89.922 14.231 -2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.556 15.218 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.005 15.570 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.673 17.377 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.341 17.811 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.212 18.007 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.917 18.109 -2.417 1.00 0.00 H new ATOM 1227 N LYS A 75 86.887 14.839 -1.891 1.00 0.00 N ATOM 1228 CA LYS A 75 85.551 14.248 -1.591 1.00 0.00 C ATOM 1229 C LYS A 75 85.398 12.920 -2.333 1.00 0.00 C ATOM 1230 O LYS A 75 85.168 11.886 -1.737 1.00 0.00 O ATOM 1231 CB LYS A 75 84.451 15.211 -2.046 1.00 0.00 C ATOM 1232 CG LYS A 75 83.655 15.695 -0.832 1.00 0.00 C ATOM 1233 CD LYS A 75 82.301 14.984 -0.789 1.00 0.00 C ATOM 1234 CE LYS A 75 82.207 14.134 0.479 1.00 0.00 C ATOM 1235 NZ LYS A 75 82.404 12.698 0.132 1.00 0.00 N ATOM 0 H LYS A 75 86.881 15.605 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 75 85.467 14.077 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.891 16.061 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.788 14.713 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.211 15.495 0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.509 16.774 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 75 81.494 15.716 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.182 14.354 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 75 82.961 14.452 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.235 14.275 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.340 12.120 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.669 12.399 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.341 12.571 -0.301 1.00 0.00 H new ATOM 1249 N THR A 76 85.520 12.939 -3.632 1.00 0.00 N ATOM 1250 CA THR A 76 85.376 11.679 -4.415 1.00 0.00 C ATOM 1251 C THR A 76 86.568 10.759 -4.142 1.00 0.00 C ATOM 1252 O THR A 76 86.455 9.550 -4.192 1.00 0.00 O ATOM 1253 CB THR A 76 85.321 12.014 -5.908 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.206 12.857 -6.161 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.181 10.724 -6.717 1.00 0.00 C ATOM 0 H THR A 76 85.713 13.774 -4.186 1.00 0.00 H new ATOM 0 HA THR A 76 84.458 11.173 -4.118 1.00 0.00 H new ATOM 0 HB THR A 76 86.238 12.526 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.170 13.074 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 76 85.142 10.963 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 76 86.037 10.078 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.264 10.210 -6.427 1.00 0.00 H new ATOM 1263 N TRP A 77 87.713 11.320 -3.859 1.00 0.00 N ATOM 1264 CA TRP A 77 88.908 10.474 -3.588 1.00 0.00 C ATOM 1265 C TRP A 77 88.582 9.456 -2.491 1.00 0.00 C ATOM 1266 O TRP A 77 88.799 8.271 -2.649 1.00 0.00 O ATOM 1267 CB TRP A 77 90.070 11.365 -3.140 1.00 0.00 C ATOM 1268 CG TRP A 77 90.407 12.325 -4.238 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.896 12.280 -5.489 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.315 13.465 -4.208 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.430 13.319 -6.229 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.310 14.077 -5.484 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.135 14.022 -3.209 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.089 15.202 -5.759 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 92.920 15.154 -3.483 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.897 15.743 -4.756 1.00 0.00 C ATOM 0 H TRP A 77 87.871 12.326 -3.804 1.00 0.00 H new ATOM 0 HA TRP A 77 89.190 9.941 -4.496 1.00 0.00 H new ATOM 0 HB2 TRP A 77 89.799 11.909 -2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 77 90.939 10.754 -2.896 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.186 11.551 -5.851 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.201 13.503 -7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.161 13.576 -2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.067 15.651 -6.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.545 15.574 -2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.503 16.613 -4.960 1.00 0.00 H new ATOM 1287 N LYS A 78 88.062 9.905 -1.380 1.00 0.00 N ATOM 1288 CA LYS A 78 87.725 8.955 -0.279 1.00 0.00 C ATOM 1289 C LYS A 78 86.861 7.823 -0.832 1.00 0.00 C ATOM 1290 O LYS A 78 87.078 6.667 -0.529 1.00 0.00 O ATOM 1291 CB LYS A 78 86.962 9.691 0.824 1.00 0.00 C ATOM 1292 CG LYS A 78 86.809 8.770 2.037 1.00 0.00 C ATOM 1293 CD LYS A 78 87.328 9.480 3.290 1.00 0.00 C ATOM 1294 CE LYS A 78 88.748 9.000 3.599 1.00 0.00 C ATOM 1295 NZ LYS A 78 88.691 7.636 4.197 1.00 0.00 N ATOM 0 H LYS A 78 87.856 10.885 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 78 88.644 8.542 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 78 87.495 10.598 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 85.981 9.998 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 78 85.762 8.497 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.362 7.845 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 78 87.323 10.559 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 78 86.671 9.274 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.345 8.984 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 78 89.235 9.691 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 89.443 7.537 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 87.766 7.494 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 88.824 6.924 3.451 1.00 0.00 H new ATOM 1309 N ALA A 79 85.886 8.137 -1.645 1.00 0.00 N ATOM 1310 CA ALA A 79 85.030 7.061 -2.216 1.00 0.00 C ATOM 1311 C ALA A 79 85.935 5.930 -2.692 1.00 0.00 C ATOM 1312 O ALA A 79 85.951 4.853 -2.128 1.00 0.00 O ATOM 1313 CB ALA A 79 84.232 7.606 -3.399 1.00 0.00 C ATOM 0 H ALA A 79 85.648 9.086 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 79 84.335 6.698 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.608 6.814 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.600 8.428 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.918 7.965 -4.166 1.00 0.00 H new ATOM 1319 N ASN A 80 86.712 6.172 -3.712 1.00 0.00 N ATOM 1320 CA ASN A 80 87.634 5.114 -4.196 1.00 0.00 C ATOM 1321 C ASN A 80 88.494 4.664 -3.017 1.00 0.00 C ATOM 1322 O ASN A 80 88.545 5.325 -2.000 1.00 0.00 O ATOM 1323 CB ASN A 80 88.527 5.673 -5.306 1.00 0.00 C ATOM 1324 CG ASN A 80 87.666 6.427 -6.322 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.734 7.637 -6.414 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.852 5.759 -7.094 1.00 0.00 N ATOM 0 H ASN A 80 86.746 7.052 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 80 87.069 4.272 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.277 6.341 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.064 4.862 -5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.274 6.253 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.795 4.744 -7.017 1.00 0.00 H new ATOM 1333 N PHE A 81 89.156 3.545 -3.140 1.00 0.00 N ATOM 1334 CA PHE A 81 90.002 3.040 -2.019 1.00 0.00 C ATOM 1335 C PHE A 81 89.115 2.278 -1.032 1.00 0.00 C ATOM 1336 O PHE A 81 89.445 1.189 -0.605 1.00 0.00 O ATOM 1337 CB PHE A 81 90.688 4.210 -1.304 1.00 0.00 C ATOM 1338 CG PHE A 81 92.008 3.749 -0.731 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.063 2.599 0.067 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.177 4.471 -0.998 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.286 2.173 0.596 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.400 4.044 -0.468 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.455 2.894 0.329 1.00 0.00 C ATOM 0 H PHE A 81 89.147 2.956 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 81 90.771 2.376 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.850 5.031 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.047 4.589 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.161 2.041 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.135 5.358 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.328 1.286 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.302 4.602 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.399 2.564 0.737 1.00 0.00 H new ATOM 1353 N ARG A 82 87.983 2.828 -0.673 1.00 0.00 N ATOM 1354 CA ARG A 82 87.082 2.113 0.274 1.00 0.00 C ATOM 1355 C ARG A 82 86.523 0.873 -0.421 1.00 0.00 C ATOM 1356 O ARG A 82 86.420 -0.188 0.163 1.00 0.00 O ATOM 1357 CB ARG A 82 85.930 3.034 0.685 1.00 0.00 C ATOM 1358 CG ARG A 82 84.981 2.278 1.616 1.00 0.00 C ATOM 1359 CD ARG A 82 83.830 1.688 0.799 1.00 0.00 C ATOM 1360 NE ARG A 82 82.531 2.183 1.339 1.00 0.00 N ATOM 1361 CZ ARG A 82 82.074 1.725 2.473 1.00 0.00 C ATOM 1362 NH1 ARG A 82 82.754 0.833 3.144 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.933 2.156 2.936 1.00 0.00 N ATOM 0 H ARG A 82 87.647 3.736 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 82 87.638 1.821 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.320 3.920 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.392 3.378 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.518 1.484 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.592 2.950 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.932 1.971 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.862 0.599 0.840 1.00 0.00 H new ATOM 0 HE ARG A 82 81.998 2.881 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 82 83.645 0.493 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 82 82.394 0.477 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 82 80.399 2.850 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 82 80.575 1.799 3.822 1.00 0.00 H new ATOM 1377 N CYS A 83 86.168 0.997 -1.672 1.00 0.00 N ATOM 1378 CA CYS A 83 85.625 -0.173 -2.415 1.00 0.00 C ATOM 1379 C CYS A 83 86.789 -0.961 -3.020 1.00 0.00 C ATOM 1380 O CYS A 83 86.749 -2.172 -3.119 1.00 0.00 O ATOM 1381 CB CYS A 83 84.698 0.314 -3.531 1.00 0.00 C ATOM 1382 SG CYS A 83 82.994 0.362 -2.924 1.00 0.00 S ATOM 0 H CYS A 83 86.231 1.861 -2.211 1.00 0.00 H new ATOM 0 HA CYS A 83 85.061 -0.813 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 83 85.004 1.305 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 83 84.770 -0.349 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 83 82.207 0.778 -3.872 1.00 0.00 H new ATOM 1388 N ALA A 84 87.830 -0.279 -3.420 1.00 0.00 N ATOM 1389 CA ALA A 84 89.006 -0.978 -4.013 1.00 0.00 C ATOM 1390 C ALA A 84 89.451 -2.093 -3.075 1.00 0.00 C ATOM 1391 O ALA A 84 89.901 -3.135 -3.503 1.00 0.00 O ATOM 1392 CB ALA A 84 90.146 0.024 -4.203 1.00 0.00 C ATOM 0 H ALA A 84 87.916 0.736 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 84 88.736 -1.404 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.008 -0.483 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 84 89.821 0.822 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.422 0.448 -3.238 1.00 0.00 H new ATOM 1398 N MET A 85 89.322 -1.885 -1.800 1.00 0.00 N ATOM 1399 CA MET A 85 89.724 -2.938 -0.834 1.00 0.00 C ATOM 1400 C MET A 85 88.509 -3.828 -0.547 1.00 0.00 C ATOM 1401 O MET A 85 88.632 -4.975 -0.169 1.00 0.00 O ATOM 1402 CB MET A 85 90.224 -2.270 0.450 1.00 0.00 C ATOM 1403 CG MET A 85 91.744 -2.432 0.542 1.00 0.00 C ATOM 1404 SD MET A 85 92.502 -1.854 -0.995 1.00 0.00 S ATOM 1405 CE MET A 85 92.190 -0.091 -0.734 1.00 0.00 C ATOM 0 H MET A 85 88.955 -1.030 -1.383 1.00 0.00 H new ATOM 0 HA MET A 85 90.526 -3.553 -1.242 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.958 -1.213 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.745 -2.721 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 85 92.131 -1.864 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 85 92.000 -3.477 0.716 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.408 0.245 -1.415 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.871 0.074 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 85 93.103 0.472 -0.925 1.00 0.00 H new ATOM 1415 N ASN A 86 87.332 -3.305 -0.735 1.00 0.00 N ATOM 1416 CA ASN A 86 86.106 -4.110 -0.483 1.00 0.00 C ATOM 1417 C ASN A 86 85.701 -4.840 -1.779 1.00 0.00 C ATOM 1418 O ASN A 86 84.655 -5.453 -1.858 1.00 0.00 O ATOM 1419 CB ASN A 86 84.993 -3.157 0.010 1.00 0.00 C ATOM 1420 CG ASN A 86 83.631 -3.518 -0.594 1.00 0.00 C ATOM 1421 OD1 ASN A 86 83.354 -3.144 -1.814 1.00 0.00 O flip ATOM 1422 ND2 ASN A 86 82.813 -4.146 0.049 1.00 0.00 N flip ATOM 0 H ASN A 86 87.165 -2.351 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 86 86.282 -4.867 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.932 -3.200 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 86 85.248 -2.131 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.029 -4.438 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 86 81.911 -4.381 -0.364 1.00 0.00 H new ATOM 1429 N SER A 87 86.524 -4.783 -2.796 1.00 0.00 N ATOM 1430 CA SER A 87 86.170 -5.473 -4.073 1.00 0.00 C ATOM 1431 C SER A 87 87.138 -6.624 -4.350 1.00 0.00 C ATOM 1432 O SER A 87 87.501 -7.343 -3.450 1.00 0.00 O ATOM 1433 CB SER A 87 86.204 -4.461 -5.221 1.00 0.00 C ATOM 1434 OG SER A 87 85.282 -4.862 -6.226 1.00 0.00 O ATOM 0 H SER A 87 87.418 -4.293 -2.798 1.00 0.00 H new ATOM 0 HA SER A 87 85.166 -5.890 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 87 85.949 -3.467 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 87 87.210 -4.399 -5.637 1.00 0.00 H new ATOM 0 HG SER A 87 85.299 -4.216 -6.962 1.00 0.00 H new ATOM 1440 N LEU A 88 87.542 -6.795 -5.592 1.00 0.00 N ATOM 1441 CA LEU A 88 88.480 -7.902 -5.978 1.00 0.00 C ATOM 1442 C LEU A 88 88.272 -9.152 -5.094 1.00 0.00 C ATOM 1443 O LEU A 88 88.551 -9.139 -3.917 1.00 0.00 O ATOM 1444 CB LEU A 88 89.931 -7.424 -5.836 1.00 0.00 C ATOM 1445 CG LEU A 88 89.977 -5.919 -5.529 1.00 0.00 C ATOM 1446 CD1 LEU A 88 89.755 -5.679 -4.029 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.344 -5.370 -5.936 1.00 0.00 C ATOM 0 H LEU A 88 87.254 -6.200 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 88 88.271 -8.171 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.426 -7.979 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.479 -7.630 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 88 89.190 -5.412 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 88 89.790 -4.609 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 88 88.782 -6.073 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.536 -6.184 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.386 -4.302 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.124 -5.884 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 88 91.498 -5.532 -7.003 1.00 0.00 H new ATOM 1459 N PRO A 89 87.800 -10.216 -5.700 1.00 0.00 N ATOM 1460 CA PRO A 89 87.546 -11.482 -4.983 1.00 0.00 C ATOM 1461 C PRO A 89 88.853 -12.179 -4.584 1.00 0.00 C ATOM 1462 O PRO A 89 88.842 -13.270 -4.049 1.00 0.00 O ATOM 1463 CB PRO A 89 86.748 -12.316 -5.988 1.00 0.00 C ATOM 1464 CG PRO A 89 87.053 -11.724 -7.382 1.00 0.00 C ATOM 1465 CD PRO A 89 87.499 -10.269 -7.146 1.00 0.00 C ATOM 0 HA PRO A 89 87.012 -11.331 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 89 87.038 -13.366 -5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.681 -12.270 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.835 -12.294 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.171 -11.761 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.374 -10.018 -7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.714 -9.562 -7.416 1.00 0.00 H new ATOM 1473 N ASP A 90 89.977 -11.560 -4.818 1.00 0.00 N ATOM 1474 CA ASP A 90 91.268 -12.194 -4.429 1.00 0.00 C ATOM 1475 C ASP A 90 91.736 -11.598 -3.096 1.00 0.00 C ATOM 1476 O ASP A 90 92.714 -12.034 -2.522 1.00 0.00 O ATOM 1477 CB ASP A 90 92.319 -11.921 -5.506 1.00 0.00 C ATOM 1478 CG ASP A 90 91.806 -12.413 -6.860 1.00 0.00 C ATOM 1479 OD1 ASP A 90 91.052 -11.687 -7.487 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.177 -13.509 -7.249 1.00 0.00 O ATOM 0 H ASP A 90 90.058 -10.645 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 90 91.131 -13.270 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.536 -10.854 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 90 93.252 -12.425 -5.254 1.00 0.00 H new ATOM 1485 N ILE A 91 91.051 -10.598 -2.607 1.00 0.00 N ATOM 1486 CA ILE A 91 91.456 -9.959 -1.320 1.00 0.00 C ATOM 1487 C ILE A 91 90.393 -10.239 -0.253 1.00 0.00 C ATOM 1488 O ILE A 91 89.209 -10.248 -0.525 1.00 0.00 O ATOM 1489 CB ILE A 91 91.643 -8.432 -1.539 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.844 -7.590 -0.524 1.00 0.00 C ATOM 1491 CG2 ILE A 91 91.169 -8.048 -2.937 1.00 0.00 C ATOM 1492 CD1 ILE A 91 90.727 -6.144 -1.040 1.00 0.00 C ATOM 0 H ILE A 91 90.224 -10.194 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 91 92.403 -10.376 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 91 92.705 -8.225 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.852 -8.018 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.340 -7.603 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 91 91.302 -6.976 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.751 -8.592 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 91 90.114 -8.301 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 91 90.162 -5.547 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 91 91.723 -5.719 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 91 90.212 -6.141 -2.001 1.00 0.00 H new ATOM 1504 N GLU A 92 90.815 -10.452 0.961 1.00 0.00 N ATOM 1505 CA GLU A 92 89.841 -10.715 2.056 1.00 0.00 C ATOM 1506 C GLU A 92 90.149 -9.779 3.222 1.00 0.00 C ATOM 1507 O GLU A 92 91.126 -9.942 3.923 1.00 0.00 O ATOM 1508 CB GLU A 92 89.960 -12.170 2.516 1.00 0.00 C ATOM 1509 CG GLU A 92 88.764 -12.970 1.995 1.00 0.00 C ATOM 1510 CD GLU A 92 88.571 -14.218 2.856 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.532 -14.640 3.477 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.465 -14.732 2.879 1.00 0.00 O ATOM 0 H GLU A 92 91.795 -10.455 1.243 1.00 0.00 H new ATOM 0 HA GLU A 92 88.826 -10.540 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.890 -12.604 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 92 89.996 -12.217 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 92 87.864 -12.356 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.928 -13.254 0.956 1.00 0.00 H new ATOM 1519 N GLU A 93 89.332 -8.786 3.422 1.00 0.00 N ATOM 1520 CA GLU A 93 89.592 -7.826 4.528 1.00 0.00 C ATOM 1521 C GLU A 93 89.358 -8.491 5.885 1.00 0.00 C ATOM 1522 O GLU A 93 88.404 -9.216 6.084 1.00 0.00 O ATOM 1523 CB GLU A 93 88.666 -6.622 4.383 1.00 0.00 C ATOM 1524 CG GLU A 93 87.222 -7.052 4.648 1.00 0.00 C ATOM 1525 CD GLU A 93 86.297 -5.838 4.538 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.705 -4.767 4.955 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.197 -6.001 4.038 1.00 0.00 O ATOM 0 H GLU A 93 88.496 -8.597 2.869 1.00 0.00 H new ATOM 0 HA GLU A 93 90.631 -7.502 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.958 -5.839 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.753 -6.202 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.922 -7.817 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.140 -7.496 5.640 1.00 0.00 H new ATOM 1534 N VAL A 94 90.227 -8.232 6.823 1.00 0.00 N ATOM 1535 CA VAL A 94 90.078 -8.821 8.181 1.00 0.00 C ATOM 1536 C VAL A 94 90.153 -7.695 9.213 1.00 0.00 C ATOM 1537 O VAL A 94 91.223 -7.241 9.578 1.00 0.00 O ATOM 1538 CB VAL A 94 91.206 -9.826 8.433 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.083 -10.392 9.849 1.00 0.00 C ATOM 1540 CG2 VAL A 94 91.105 -10.967 7.419 1.00 0.00 C ATOM 0 H VAL A 94 91.042 -7.631 6.704 1.00 0.00 H new ATOM 0 HA VAL A 94 89.120 -9.336 8.260 1.00 0.00 H new ATOM 0 HB VAL A 94 92.168 -9.325 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.887 -11.107 10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.154 -9.580 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.121 -10.893 9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.907 -11.684 7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 94 90.142 -11.466 7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 94 91.194 -10.566 6.410 1.00 0.00 H new ATOM 1550 N LYS A 95 89.021 -7.232 9.671 1.00 0.00 N ATOM 1551 CA LYS A 95 89.012 -6.125 10.668 1.00 0.00 C ATOM 1552 C LYS A 95 88.917 -6.702 12.074 1.00 0.00 C ATOM 1553 O LYS A 95 88.404 -6.081 12.984 1.00 0.00 O ATOM 1554 CB LYS A 95 87.806 -5.225 10.413 1.00 0.00 C ATOM 1555 CG LYS A 95 86.532 -5.997 10.755 1.00 0.00 C ATOM 1556 CD LYS A 95 85.315 -5.085 10.583 1.00 0.00 C ATOM 1557 CE LYS A 95 84.150 -5.625 11.414 1.00 0.00 C ATOM 1558 NZ LYS A 95 82.863 -5.163 10.823 1.00 0.00 N ATOM 0 H LYS A 95 88.100 -7.574 9.396 1.00 0.00 H new ATOM 0 HA LYS A 95 89.931 -5.547 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 95 87.874 -4.322 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 95 87.786 -4.907 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 95 86.439 -6.869 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 95 86.582 -6.364 11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 95 85.560 -4.071 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.032 -5.033 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 95 84.181 -6.714 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 95 84.234 -5.280 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 82.070 -5.530 11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 82.835 -4.123 10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 82.784 -5.513 9.847 1.00 0.00 H new ATOM 1572 N ASP A 96 89.413 -7.884 12.255 1.00 0.00 N ATOM 1573 CA ASP A 96 89.367 -8.516 13.603 1.00 0.00 C ATOM 1574 C ASP A 96 90.427 -7.866 14.496 1.00 0.00 C ATOM 1575 O ASP A 96 91.547 -8.328 14.582 1.00 0.00 O ATOM 1576 CB ASP A 96 89.652 -10.015 13.475 1.00 0.00 C ATOM 1577 CG ASP A 96 88.359 -10.753 13.122 1.00 0.00 C ATOM 1578 OD1 ASP A 96 87.311 -10.313 13.562 1.00 0.00 O ATOM 1579 OD2 ASP A 96 88.442 -11.746 12.418 1.00 0.00 O ATOM 0 H ASP A 96 89.852 -8.448 11.527 1.00 0.00 H new ATOM 0 HA ASP A 96 88.380 -8.375 14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 96 90.404 -10.188 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 96 90.059 -10.400 14.410 1.00 0.00 H new ATOM 1584 N ARG A 97 90.085 -6.793 15.157 1.00 0.00 N ATOM 1585 CA ARG A 97 91.078 -6.114 16.036 1.00 0.00 C ATOM 1586 C ARG A 97 90.551 -6.057 17.471 1.00 0.00 C ATOM 1587 O ARG A 97 91.129 -5.423 18.331 1.00 0.00 O ATOM 1588 CB ARG A 97 91.326 -4.693 15.524 1.00 0.00 C ATOM 1589 CG ARG A 97 90.002 -4.075 15.070 1.00 0.00 C ATOM 1590 CD ARG A 97 89.023 -4.066 16.242 1.00 0.00 C ATOM 1591 NE ARG A 97 88.062 -2.937 16.080 1.00 0.00 N ATOM 1592 CZ ARG A 97 87.096 -3.018 15.205 1.00 0.00 C ATOM 1593 NH1 ARG A 97 86.965 -4.090 14.470 1.00 0.00 N ATOM 1594 NH2 ARG A 97 86.259 -2.027 15.066 1.00 0.00 N ATOM 0 H ARG A 97 89.163 -6.359 15.126 1.00 0.00 H new ATOM 0 HA ARG A 97 92.012 -6.675 16.021 1.00 0.00 H new ATOM 0 HB2 ARG A 97 91.773 -4.085 16.310 1.00 0.00 H new ATOM 0 HB3 ARG A 97 92.034 -4.712 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 97 90.166 -3.059 14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 97 89.587 -4.645 14.239 1.00 0.00 H new ATOM 0 HD2 ARG A 97 88.484 -5.012 16.287 1.00 0.00 H new ATOM 0 HD3 ARG A 97 89.566 -3.964 17.182 1.00 0.00 H new ATOM 0 HE ARG A 97 88.160 -2.100 16.654 1.00 0.00 H new ATOM 0 HH11 ARG A 97 87.618 -4.866 14.579 1.00 0.00 H new ATOM 0 HH12 ARG A 97 86.210 -4.151 13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 97 86.360 -1.190 15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 97 85.504 -2.089 14.383 1.00 0.00 H new ATOM 1608 N SER A 98 89.457 -6.715 17.740 1.00 0.00 N ATOM 1609 CA SER A 98 88.899 -6.697 19.121 1.00 0.00 C ATOM 1610 C SER A 98 88.952 -8.102 19.707 1.00 0.00 C ATOM 1611 O SER A 98 88.067 -8.518 20.427 1.00 0.00 O ATOM 1612 CB SER A 98 87.446 -6.232 19.080 1.00 0.00 C ATOM 1613 OG SER A 98 87.341 -4.961 19.707 1.00 0.00 O ATOM 0 H SER A 98 88.926 -7.264 17.064 1.00 0.00 H new ATOM 0 HA SER A 98 89.486 -6.016 19.737 1.00 0.00 H new ATOM 0 HB2 SER A 98 87.101 -6.171 18.048 1.00 0.00 H new ATOM 0 HB3 SER A 98 86.807 -6.954 19.587 1.00 0.00 H new ATOM 0 HG SER A 98 86.409 -4.659 19.681 1.00 0.00 H new ATOM 1619 N ILE A 99 89.979 -8.835 19.402 1.00 0.00 N ATOM 1620 CA ILE A 99 90.083 -10.217 19.936 1.00 0.00 C ATOM 1621 C ILE A 99 91.556 -10.598 20.092 1.00 0.00 C ATOM 1622 O ILE A 99 92.042 -10.802 21.187 1.00 0.00 O ATOM 1623 CB ILE A 99 89.411 -11.182 18.959 1.00 0.00 C ATOM 1624 CG1 ILE A 99 87.899 -10.939 18.950 1.00 0.00 C ATOM 1625 CG2 ILE A 99 89.688 -12.616 19.395 1.00 0.00 C ATOM 1626 CD1 ILE A 99 87.537 -10.028 17.775 1.00 0.00 C ATOM 0 H ILE A 99 90.752 -8.538 18.806 1.00 0.00 H new ATOM 0 HA ILE A 99 89.592 -10.271 20.907 1.00 0.00 H new ATOM 0 HB ILE A 99 89.810 -11.018 17.958 1.00 0.00 H new ATOM 0 HG12 ILE A 99 87.368 -11.887 18.866 1.00 0.00 H new ATOM 0 HG13 ILE A 99 87.588 -10.481 19.889 1.00 0.00 H new ATOM 0 HG21 ILE A 99 89.210 -13.306 18.700 1.00 0.00 H new ATOM 0 HG22 ILE A 99 90.763 -12.793 19.400 1.00 0.00 H new ATOM 0 HG23 ILE A 99 89.289 -12.775 20.397 1.00 0.00 H new ATOM 0 HD11 ILE A 99 86.461 -9.854 17.767 1.00 0.00 H new ATOM 0 HD12 ILE A 99 88.058 -9.076 17.879 1.00 0.00 H new ATOM 0 HD13 ILE A 99 87.834 -10.504 16.841 1.00 0.00 H new ATOM 1638 N LYS A 100 92.268 -10.699 19.005 1.00 0.00 N ATOM 1639 CA LYS A 100 93.707 -11.069 19.088 1.00 0.00 C ATOM 1640 C LYS A 100 94.512 -9.852 19.544 1.00 0.00 C ATOM 1641 O LYS A 100 95.278 -9.918 20.485 1.00 0.00 O ATOM 1642 CB LYS A 100 94.195 -11.526 17.713 1.00 0.00 C ATOM 1643 CG LYS A 100 94.275 -13.053 17.683 1.00 0.00 C ATOM 1644 CD LYS A 100 95.713 -13.484 17.384 1.00 0.00 C ATOM 1645 CE LYS A 100 96.251 -14.313 18.551 1.00 0.00 C ATOM 1646 NZ LYS A 100 95.700 -15.694 18.471 1.00 0.00 N ATOM 0 H LYS A 100 91.915 -10.541 18.061 1.00 0.00 H new ATOM 0 HA LYS A 100 93.839 -11.881 19.803 1.00 0.00 H new ATOM 0 HB2 LYS A 100 93.516 -11.171 16.938 1.00 0.00 H new ATOM 0 HB3 LYS A 100 95.174 -11.095 17.501 1.00 0.00 H new ATOM 0 HG2 LYS A 100 93.953 -13.463 18.640 1.00 0.00 H new ATOM 0 HG3 LYS A 100 93.600 -13.448 16.923 1.00 0.00 H new ATOM 0 HD2 LYS A 100 95.745 -14.068 16.464 1.00 0.00 H new ATOM 0 HD3 LYS A 100 96.341 -12.607 17.227 1.00 0.00 H new ATOM 0 HE2 LYS A 100 97.340 -14.342 18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 100 95.971 -13.852 19.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 96.065 -16.260 19.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 94.662 -15.657 18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 95.988 -16.131 17.572 1.00 0.00 H new ATOM 1660 N LYS A 101 94.335 -8.738 18.891 1.00 0.00 N ATOM 1661 CA LYS A 101 95.080 -7.514 19.296 1.00 0.00 C ATOM 1662 C LYS A 101 96.570 -7.839 19.420 1.00 0.00 C ATOM 1663 O LYS A 101 97.069 -8.116 20.492 1.00 0.00 O ATOM 1664 CB LYS A 101 94.547 -7.024 20.638 1.00 0.00 C ATOM 1665 CG LYS A 101 93.060 -7.391 20.765 1.00 0.00 C ATOM 1666 CD LYS A 101 92.570 -7.109 22.189 1.00 0.00 C ATOM 1667 CE LYS A 101 93.648 -7.527 23.187 1.00 0.00 C ATOM 1668 NZ LYS A 101 93.076 -7.559 24.563 1.00 0.00 N ATOM 0 H LYS A 101 93.707 -8.622 18.095 1.00 0.00 H new ATOM 0 HA LYS A 101 94.945 -6.736 18.544 1.00 0.00 H new ATOM 0 HB2 LYS A 101 95.114 -7.474 21.453 1.00 0.00 H new ATOM 0 HB3 LYS A 101 94.674 -5.945 20.719 1.00 0.00 H new ATOM 0 HG2 LYS A 101 92.473 -6.816 20.049 1.00 0.00 H new ATOM 0 HG3 LYS A 101 92.915 -8.444 20.524 1.00 0.00 H new ATOM 0 HD2 LYS A 101 92.343 -6.049 22.304 1.00 0.00 H new ATOM 0 HD3 LYS A 101 91.647 -7.656 22.383 1.00 0.00 H new ATOM 0 HE2 LYS A 101 94.040 -8.509 22.923 1.00 0.00 H new ATOM 0 HE3 LYS A 101 94.484 -6.829 23.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 93.813 -7.844 25.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 92.723 -6.614 24.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 92.292 -8.242 24.597 1.00 0.00 H new ATOM 1682 N GLY A 102 97.284 -7.812 18.326 1.00 0.00 N ATOM 1683 CA GLY A 102 98.740 -8.126 18.378 1.00 0.00 C ATOM 1684 C GLY A 102 99.529 -6.873 18.768 1.00 0.00 C ATOM 1685 O GLY A 102 100.530 -6.949 19.454 1.00 0.00 O ATOM 0 H GLY A 102 96.921 -7.586 17.400 1.00 0.00 H new ATOM 0 HA2 GLY A 102 98.924 -8.922 19.100 1.00 0.00 H new ATOM 0 HA3 GLY A 102 99.077 -8.492 17.408 1.00 0.00 H new ATOM 1689 N ASN A 103 99.095 -5.721 18.334 1.00 0.00 N ATOM 1690 CA ASN A 103 99.832 -4.473 18.683 1.00 0.00 C ATOM 1691 C ASN A 103 98.891 -3.269 18.596 1.00 0.00 C ATOM 1692 O ASN A 103 98.487 -2.712 19.597 1.00 0.00 O ATOM 1693 CB ASN A 103 100.997 -4.280 17.708 1.00 0.00 C ATOM 1694 CG ASN A 103 102.308 -4.668 18.394 1.00 0.00 C ATOM 1695 OD1 ASN A 103 102.997 -5.566 17.952 1.00 0.00 O ATOM 1696 ND2 ASN A 103 102.687 -4.022 19.463 1.00 0.00 N ATOM 0 H ASN A 103 98.265 -5.590 17.755 1.00 0.00 H new ATOM 0 HA ASN A 103 100.214 -4.556 19.700 1.00 0.00 H new ATOM 0 HB2 ASN A 103 100.845 -4.891 16.818 1.00 0.00 H new ATOM 0 HB3 ASN A 103 101.040 -3.242 17.378 1.00 0.00 H new ATOM 0 HD21 ASN A 103 103.561 -4.271 19.926 1.00 0.00 H new ATOM 0 HD22 ASN A 103 102.109 -3.268 19.835 1.00 0.00 H new ATOM 1703 N ASN A 104 98.544 -2.856 17.406 1.00 0.00 N ATOM 1704 CA ASN A 104 97.637 -1.680 17.262 1.00 0.00 C ATOM 1705 C ASN A 104 96.264 -2.139 16.764 1.00 0.00 C ATOM 1706 O ASN A 104 95.411 -2.525 17.539 1.00 0.00 O ATOM 1707 CB ASN A 104 98.243 -0.693 16.261 1.00 0.00 C ATOM 1708 CG ASN A 104 99.028 0.382 17.016 1.00 0.00 C ATOM 1709 OD1 ASN A 104 98.458 1.335 17.508 1.00 0.00 O ATOM 1710 ND2 ASN A 104 100.323 0.268 17.130 1.00 0.00 N ATOM 0 H ASN A 104 98.848 -3.281 16.530 1.00 0.00 H new ATOM 0 HA ASN A 104 97.520 -1.194 18.230 1.00 0.00 H new ATOM 0 HB2 ASN A 104 98.900 -1.219 15.568 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.455 -0.232 15.666 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.855 0.979 17.632 1.00 0.00 H new ATOM 0 HD22 ASN A 104 100.803 -0.532 16.717 1.00 0.00 H new ATOM 1717 N ALA A 105 96.036 -2.098 15.477 1.00 0.00 N ATOM 1718 CA ALA A 105 94.714 -2.527 14.943 1.00 0.00 C ATOM 1719 C ALA A 105 94.607 -2.128 13.470 1.00 0.00 C ATOM 1720 O ALA A 105 94.430 -0.971 13.142 1.00 0.00 O ATOM 1721 CB ALA A 105 93.600 -1.838 15.735 1.00 0.00 C ATOM 0 H ALA A 105 96.708 -1.786 14.776 1.00 0.00 H new ATOM 0 HA ALA A 105 94.616 -3.609 15.037 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.631 -2.150 15.346 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.676 -2.116 16.786 1.00 0.00 H new ATOM 0 HB3 ALA A 105 93.699 -0.757 15.637 1.00 0.00 H new ATOM 1727 N PHE A 106 94.714 -3.073 12.576 1.00 0.00 N ATOM 1728 CA PHE A 106 94.616 -2.735 11.126 1.00 0.00 C ATOM 1729 C PHE A 106 93.647 -3.687 10.425 1.00 0.00 C ATOM 1730 O PHE A 106 93.286 -4.727 10.938 1.00 0.00 O ATOM 1731 CB PHE A 106 95.981 -2.871 10.439 1.00 0.00 C ATOM 1732 CG PHE A 106 97.064 -3.162 11.439 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.196 -4.445 11.971 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.944 -2.147 11.820 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.211 -4.716 12.890 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.961 -2.414 12.738 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.097 -3.701 13.276 1.00 0.00 C ATOM 0 H PHE A 106 94.864 -4.060 12.785 1.00 0.00 H new ATOM 0 HA PHE A 106 94.263 -1.706 11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.941 -3.670 9.699 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.215 -1.951 9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.514 -5.227 11.672 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.838 -1.156 11.405 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.314 -5.708 13.304 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.642 -1.630 13.033 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.883 -3.910 13.987 1.00 0.00 H new ATOM 1747 N ARG A 107 93.271 -3.348 9.225 1.00 0.00 N ATOM 1748 CA ARG A 107 92.377 -4.225 8.427 1.00 0.00 C ATOM 1749 C ARG A 107 93.290 -5.153 7.633 1.00 0.00 C ATOM 1750 O ARG A 107 93.815 -4.788 6.596 1.00 0.00 O ATOM 1751 CB ARG A 107 91.531 -3.369 7.476 1.00 0.00 C ATOM 1752 CG ARG A 107 90.060 -3.769 7.565 1.00 0.00 C ATOM 1753 CD ARG A 107 89.435 -3.145 8.813 1.00 0.00 C ATOM 1754 NE ARG A 107 87.992 -2.870 8.559 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.340 -2.033 9.321 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.949 -1.432 10.308 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.075 -1.800 9.099 1.00 0.00 N ATOM 0 H ARG A 107 93.551 -2.486 8.757 1.00 0.00 H new ATOM 0 HA ARG A 107 91.695 -4.792 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.644 -2.315 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.886 -3.492 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.527 -3.437 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.969 -4.855 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.544 -3.818 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.953 -2.221 9.069 1.00 0.00 H new ATOM 0 HE ARG A 107 87.513 -3.336 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.936 -1.616 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.437 -0.779 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.597 -2.271 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.565 -1.147 9.693 1.00 0.00 H new ATOM 1771 N VAL A 108 93.530 -6.329 8.136 1.00 0.00 N ATOM 1772 CA VAL A 108 94.456 -7.255 7.434 1.00 0.00 C ATOM 1773 C VAL A 108 93.771 -7.867 6.217 1.00 0.00 C ATOM 1774 O VAL A 108 92.796 -8.580 6.326 1.00 0.00 O ATOM 1775 CB VAL A 108 94.905 -8.344 8.400 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.187 -8.984 7.875 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.186 -7.707 9.759 1.00 0.00 C ATOM 0 H VAL A 108 93.126 -6.688 9.001 1.00 0.00 H new ATOM 0 HA VAL A 108 95.329 -6.702 7.088 1.00 0.00 H new ATOM 0 HB VAL A 108 94.128 -9.103 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.512 -9.764 8.563 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.000 -9.420 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.965 -8.225 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.509 -8.476 10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.971 -6.958 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.279 -7.232 10.133 1.00 0.00 H new ATOM 1787 N TYR A 109 94.278 -7.578 5.052 1.00 0.00 N ATOM 1788 CA TYR A 109 93.665 -8.115 3.812 1.00 0.00 C ATOM 1789 C TYR A 109 94.454 -9.325 3.309 1.00 0.00 C ATOM 1790 O TYR A 109 95.520 -9.193 2.738 1.00 0.00 O ATOM 1791 CB TYR A 109 93.673 -7.025 2.744 1.00 0.00 C ATOM 1792 CG TYR A 109 92.484 -6.123 2.950 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.099 -5.754 4.243 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.761 -5.666 1.848 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.989 -4.923 4.431 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.650 -4.837 2.037 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.264 -4.465 3.328 1.00 0.00 C ATOM 1798 OH TYR A 109 89.167 -3.647 3.512 1.00 0.00 O ATOM 0 H TYR A 109 95.097 -6.988 4.907 1.00 0.00 H new ATOM 0 HA TYR A 109 92.642 -8.427 4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.596 -6.449 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.638 -7.472 1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.658 -6.110 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.059 -5.952 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.693 -4.636 5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.090 -4.484 1.184 1.00 0.00 H new ATOM 0 HH TYR A 109 89.468 -2.732 3.695 1.00 0.00 H new ATOM 1808 N ARG A 110 93.930 -10.503 3.502 1.00 0.00 N ATOM 1809 CA ARG A 110 94.634 -11.721 3.022 1.00 0.00 C ATOM 1810 C ARG A 110 94.353 -11.896 1.528 1.00 0.00 C ATOM 1811 O ARG A 110 93.213 -11.928 1.104 1.00 0.00 O ATOM 1812 CB ARG A 110 94.119 -12.941 3.788 1.00 0.00 C ATOM 1813 CG ARG A 110 95.151 -14.067 3.709 1.00 0.00 C ATOM 1814 CD ARG A 110 94.595 -15.325 4.376 1.00 0.00 C ATOM 1815 NE ARG A 110 95.003 -16.524 3.591 1.00 0.00 N ATOM 1816 CZ ARG A 110 94.464 -17.688 3.838 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.563 -17.808 4.777 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.826 -18.732 3.146 1.00 0.00 N ATOM 0 H ARG A 110 93.042 -10.674 3.973 1.00 0.00 H new ATOM 0 HA ARG A 110 95.707 -11.621 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.932 -12.677 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.170 -13.273 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.397 -14.275 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 110 96.075 -13.762 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.966 -15.402 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.508 -15.268 4.435 1.00 0.00 H new ATOM 0 HE ARG A 110 95.706 -16.435 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 110 93.279 -16.992 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 110 93.144 -18.718 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 110 95.529 -18.639 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 110 94.406 -19.642 3.338 1.00 0.00 H new ATOM 1832 N MET A 111 95.377 -12.003 0.724 1.00 0.00 N ATOM 1833 CA MET A 111 95.157 -12.170 -0.741 1.00 0.00 C ATOM 1834 C MET A 111 95.447 -13.619 -1.139 1.00 0.00 C ATOM 1835 O MET A 111 96.483 -14.165 -0.815 1.00 0.00 O ATOM 1836 CB MET A 111 96.092 -11.232 -1.507 1.00 0.00 C ATOM 1837 CG MET A 111 95.295 -10.046 -2.050 1.00 0.00 C ATOM 1838 SD MET A 111 95.206 -10.156 -3.855 1.00 0.00 S ATOM 1839 CE MET A 111 95.712 -8.454 -4.209 1.00 0.00 C ATOM 0 H MET A 111 96.354 -11.982 1.018 1.00 0.00 H new ATOM 0 HA MET A 111 94.122 -11.928 -0.983 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.887 -10.879 -0.851 1.00 0.00 H new ATOM 0 HB3 MET A 111 96.570 -11.768 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.291 -10.043 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.769 -9.110 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 111 95.727 -8.296 -5.287 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.006 -7.762 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.708 -8.279 -3.803 1.00 0.00 H new ATOM 1849 N LEU A 112 94.541 -14.247 -1.838 1.00 0.00 N ATOM 1850 CA LEU A 112 94.768 -15.662 -2.252 1.00 0.00 C ATOM 1851 C LEU A 112 95.679 -15.699 -3.486 1.00 0.00 C ATOM 1852 O LEU A 112 95.561 -14.870 -4.364 1.00 0.00 O ATOM 1853 CB LEU A 112 93.428 -16.316 -2.594 1.00 0.00 C ATOM 1854 CG LEU A 112 92.457 -16.138 -1.428 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.024 -16.335 -1.923 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.768 -17.176 -0.346 1.00 0.00 C ATOM 0 H LEU A 112 93.655 -13.843 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 112 95.242 -16.204 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 112 93.013 -15.868 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.572 -17.376 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 112 92.564 -15.135 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.331 -16.208 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.802 -15.599 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.916 -17.338 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.077 -17.051 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.659 -18.178 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.790 -17.039 0.007 1.00 0.00 H new ATOM 1868 N PRO A 113 96.561 -16.669 -3.514 1.00 0.00 N ATOM 1869 CA PRO A 113 97.508 -16.850 -4.627 1.00 0.00 C ATOM 1870 C PRO A 113 96.810 -17.490 -5.830 1.00 0.00 C ATOM 1871 O PRO A 113 97.001 -18.677 -6.038 1.00 0.00 O ATOM 1872 CB PRO A 113 98.569 -17.786 -4.055 1.00 0.00 C ATOM 1873 CG PRO A 113 97.900 -18.527 -2.880 1.00 0.00 C ATOM 1874 CD PRO A 113 96.697 -17.672 -2.441 1.00 0.00 C ATOM 1875 OXT PRO A 113 96.097 -16.783 -6.524 1.00 0.00 O ATOM 0 HA PRO A 113 97.926 -15.909 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 113 98.916 -18.489 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 113 99.441 -17.226 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 113 97.576 -19.522 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.602 -18.659 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.794 -18.275 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.874 -17.201 -1.474 1.00 0.00 H new TER 1883 PRO A 113