USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 942 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 MET CE :methyl 130:sc= -0.932 (180deg=-2.96!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.559 X(o=-1.5,f=-1) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 162:sc= -1.05 (180deg=-1.53!) USER MOD Set 2.2: A 35 GLN : amide:sc= -11.7! C(o=-13!,f=-15!) USER MOD Set 3.1: A 18 SER OG : rot -55:sc= 1.9 USER MOD Set 3.2: A 20 THR OG1 : rot -68:sc= 0.908 USER MOD Single : A 8 MET CE :methyl 177:sc= -6.93! (180deg=-7.28!) USER MOD Single : A 15 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= -0.0233 K(o=-0.023,f=-4.9!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.75 K(o=-1.7,f=-3!) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.245 (180deg=-0.607) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -2.36 (180deg=-4.23!) USER MOD Single : A 40 HIS : no HE2:sc= -2.11! C(o=-2.1!,f=-5!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= -0.0891 (180deg=-1.85) USER MOD Single : A 57 ASN : amide:sc= -14.7! C(o=-15!,f=-13!) USER MOD Single : A 62 THR OG1 : rot -59:sc= 0.801 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-4.5!) USER MOD Single : A 66 GLN : amide:sc= -0.242 K(o=-0.24,f=0.87) 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= 0.0089 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc=-0.00919 (180deg=-0.32) USER MOD Single : A 80 ASN : amide:sc= -0.922 K(o=-0.92,f=-1.5) USER MOD Single : A 83 CYS SG : rot 180:sc= -5.91! USER MOD Single : A 85 MET CE :methyl -145:sc= -7.35! (180deg=-8.56!) USER MOD Single : A 86 ASN : amide:sc= -1.81! C(o=-1.8!,f=-8.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.122 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+ 168:sc= 1.14 (180deg=0.41) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.3!) USER MOD Single : A 104 ASN : amide:sc= -0.0322 K(o=-0.032,f=-1.7!) USER MOD Single : A 109 TYR OH : rot 30:sc= -1.49! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 108.572 -4.827 -23.438 1.00 0.00 N ATOM 2 CA PRO A 2 107.842 -3.574 -23.166 1.00 0.00 C ATOM 3 C PRO A 2 106.386 -3.867 -22.787 1.00 0.00 C ATOM 4 O PRO A 2 105.798 -4.835 -23.230 1.00 0.00 O ATOM 5 CB PRO A 2 107.920 -2.817 -24.495 1.00 0.00 C ATOM 6 CG PRO A 2 108.178 -3.879 -25.588 1.00 0.00 C ATOM 7 CD PRO A 2 108.776 -5.106 -24.876 1.00 0.00 C ATOM 0 HA PRO A 2 108.260 -3.009 -22.333 1.00 0.00 H new ATOM 0 HB2 PRO A 2 106.993 -2.277 -24.689 1.00 0.00 H new ATOM 0 HB3 PRO A 2 108.721 -2.078 -24.475 1.00 0.00 H new ATOM 0 HG2 PRO A 2 107.252 -4.141 -26.100 1.00 0.00 H new ATOM 0 HG3 PRO A 2 108.864 -3.498 -26.345 1.00 0.00 H new ATOM 0 HD2 PRO A 2 108.274 -6.025 -25.178 1.00 0.00 H new ATOM 0 HD3 PRO A 2 109.833 -5.227 -25.112 1.00 0.00 H new ATOM 17 N VAL A 3 105.804 -3.036 -21.968 1.00 0.00 N ATOM 18 CA VAL A 3 104.387 -3.256 -21.554 1.00 0.00 C ATOM 19 C VAL A 3 103.890 -2.026 -20.791 1.00 0.00 C ATOM 20 O VAL A 3 104.541 -1.541 -19.886 1.00 0.00 O ATOM 21 CB VAL A 3 104.291 -4.490 -20.648 1.00 0.00 C ATOM 22 CG1 VAL A 3 103.943 -5.718 -21.490 1.00 0.00 C ATOM 23 CG2 VAL A 3 105.630 -4.721 -19.941 1.00 0.00 C ATOM 0 H VAL A 3 106.249 -2.211 -21.565 1.00 0.00 H new ATOM 0 HA VAL A 3 103.773 -3.416 -22.440 1.00 0.00 H new ATOM 0 HB VAL A 3 103.513 -4.326 -19.902 1.00 0.00 H new ATOM 0 HG11 VAL A 3 103.875 -6.594 -20.845 1.00 0.00 H new ATOM 0 HG12 VAL A 3 102.986 -5.559 -21.988 1.00 0.00 H new ATOM 0 HG13 VAL A 3 104.719 -5.878 -22.238 1.00 0.00 H new ATOM 0 HG21 VAL A 3 105.556 -5.599 -19.299 1.00 0.00 H new ATOM 0 HG22 VAL A 3 106.411 -4.880 -20.684 1.00 0.00 H new ATOM 0 HG23 VAL A 3 105.877 -3.849 -19.336 1.00 0.00 H new ATOM 33 N GLU A 4 102.745 -1.514 -21.149 1.00 0.00 N ATOM 34 CA GLU A 4 102.215 -0.314 -20.441 1.00 0.00 C ATOM 35 C GLU A 4 100.739 -0.529 -20.099 1.00 0.00 C ATOM 36 O GLU A 4 99.858 -0.193 -20.865 1.00 0.00 O ATOM 37 CB GLU A 4 102.360 0.915 -21.342 1.00 0.00 C ATOM 38 CG GLU A 4 103.719 0.876 -22.042 1.00 0.00 C ATOM 39 CD GLU A 4 103.929 2.176 -22.819 1.00 0.00 C ATOM 40 OE1 GLU A 4 103.812 3.230 -22.215 1.00 0.00 O ATOM 41 OE2 GLU A 4 104.203 2.098 -24.006 1.00 0.00 O ATOM 0 H GLU A 4 102.154 -1.873 -21.899 1.00 0.00 H new ATOM 0 HA GLU A 4 102.778 -0.158 -19.521 1.00 0.00 H new ATOM 0 HB2 GLU A 4 101.559 0.934 -22.081 1.00 0.00 H new ATOM 0 HB3 GLU A 4 102.270 1.826 -20.750 1.00 0.00 H new ATOM 0 HG2 GLU A 4 104.514 0.746 -21.308 1.00 0.00 H new ATOM 0 HG3 GLU A 4 103.767 0.023 -22.719 1.00 0.00 H new ATOM 48 N ARG A 5 100.466 -1.084 -18.951 1.00 0.00 N ATOM 49 CA ARG A 5 99.049 -1.321 -18.551 1.00 0.00 C ATOM 50 C ARG A 5 98.955 -1.333 -17.024 1.00 0.00 C ATOM 51 O ARG A 5 98.747 -2.360 -16.410 1.00 0.00 O ATOM 52 CB ARG A 5 98.574 -2.664 -19.109 1.00 0.00 C ATOM 53 CG ARG A 5 99.358 -3.801 -18.452 1.00 0.00 C ATOM 54 CD ARG A 5 98.415 -4.625 -17.574 1.00 0.00 C ATOM 55 NE ARG A 5 99.174 -5.184 -16.420 1.00 0.00 N ATOM 56 CZ ARG A 5 98.643 -6.117 -15.675 1.00 0.00 C ATOM 57 NH1 ARG A 5 97.443 -6.564 -15.936 1.00 0.00 N ATOM 58 NH2 ARG A 5 99.313 -6.601 -14.665 1.00 0.00 N ATOM 0 H ARG A 5 101.164 -1.385 -18.271 1.00 0.00 H new ATOM 0 HA ARG A 5 98.417 -0.527 -18.950 1.00 0.00 H new ATOM 0 HB2 ARG A 5 97.507 -2.790 -18.923 1.00 0.00 H new ATOM 0 HB3 ARG A 5 98.714 -2.690 -20.190 1.00 0.00 H new ATOM 0 HG2 ARG A 5 99.810 -4.435 -19.215 1.00 0.00 H new ATOM 0 HG3 ARG A 5 100.172 -3.397 -17.851 1.00 0.00 H new ATOM 0 HD2 ARG A 5 97.596 -4.001 -17.217 1.00 0.00 H new ATOM 0 HD3 ARG A 5 97.971 -5.432 -18.156 1.00 0.00 H new ATOM 0 HE ARG A 5 100.110 -4.838 -16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 5 96.918 -6.185 -16.724 1.00 0.00 H new ATOM 0 HH12 ARG A 5 97.032 -7.292 -15.352 1.00 0.00 H new ATOM 0 HH21 ARG A 5 100.249 -6.251 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 5 98.901 -7.329 -14.082 1.00 0.00 H new ATOM 72 N MET A 6 99.117 -0.194 -16.406 1.00 0.00 N ATOM 73 CA MET A 6 99.050 -0.130 -14.919 1.00 0.00 C ATOM 74 C MET A 6 97.635 -0.468 -14.443 1.00 0.00 C ATOM 75 O MET A 6 96.680 -0.388 -15.189 1.00 0.00 O ATOM 76 CB MET A 6 99.418 1.282 -14.457 1.00 0.00 C ATOM 77 CG MET A 6 100.905 1.530 -14.715 1.00 0.00 C ATOM 78 SD MET A 6 101.607 2.481 -13.345 1.00 0.00 S ATOM 79 CE MET A 6 101.149 1.339 -12.018 1.00 0.00 C ATOM 0 H MET A 6 99.293 0.697 -16.869 1.00 0.00 H new ATOM 0 HA MET A 6 99.750 -0.851 -14.497 1.00 0.00 H new ATOM 0 HB2 MET A 6 98.817 2.019 -14.990 1.00 0.00 H new ATOM 0 HB3 MET A 6 99.197 1.398 -13.396 1.00 0.00 H new ATOM 0 HG2 MET A 6 101.430 0.580 -14.819 1.00 0.00 H new ATOM 0 HG3 MET A 6 101.037 2.071 -15.652 1.00 0.00 H new ATOM 0 HE1 MET A 6 102.021 1.134 -11.397 1.00 0.00 H new ATOM 0 HE2 MET A 6 100.365 1.787 -11.407 1.00 0.00 H new ATOM 0 HE3 MET A 6 100.784 0.407 -12.450 1.00 0.00 H new ATOM 89 N ARG A 7 97.501 -0.842 -13.200 1.00 0.00 N ATOM 90 CA ARG A 7 96.156 -1.185 -12.661 1.00 0.00 C ATOM 91 C ARG A 7 96.165 -1.006 -11.140 1.00 0.00 C ATOM 92 O ARG A 7 97.205 -0.851 -10.529 1.00 0.00 O ATOM 93 CB ARG A 7 95.822 -2.637 -13.006 1.00 0.00 C ATOM 94 CG ARG A 7 94.361 -2.731 -13.448 1.00 0.00 C ATOM 95 CD ARG A 7 94.211 -2.138 -14.850 1.00 0.00 C ATOM 96 NE ARG A 7 93.432 -3.079 -15.702 1.00 0.00 N ATOM 97 CZ ARG A 7 92.178 -3.324 -15.431 1.00 0.00 C ATOM 98 NH1 ARG A 7 91.602 -2.745 -14.413 1.00 0.00 N ATOM 99 NH2 ARG A 7 91.500 -4.150 -16.180 1.00 0.00 N ATOM 0 H ARG A 7 98.268 -0.925 -12.533 1.00 0.00 H new ATOM 0 HA ARG A 7 95.405 -0.530 -13.102 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.477 -2.994 -13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.993 -3.277 -12.140 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.036 -3.771 -13.445 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.723 -2.196 -12.745 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.706 -1.174 -14.797 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.193 -1.960 -15.289 1.00 0.00 H new ATOM 0 HE ARG A 7 93.879 -3.533 -16.499 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.131 -2.099 -13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 7 90.623 -2.938 -14.204 1.00 0.00 H new ATOM 0 HH21 ARG A 7 91.949 -4.603 -16.976 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.521 -4.342 -15.970 1.00 0.00 H new ATOM 113 N MET A 8 95.015 -1.024 -10.523 1.00 0.00 N ATOM 114 CA MET A 8 94.962 -0.851 -9.044 1.00 0.00 C ATOM 115 C MET A 8 95.593 -2.068 -8.351 1.00 0.00 C ATOM 116 O MET A 8 96.241 -1.948 -7.329 1.00 0.00 O ATOM 117 CB MET A 8 93.502 -0.724 -8.603 1.00 0.00 C ATOM 118 CG MET A 8 93.445 -0.483 -7.093 1.00 0.00 C ATOM 119 SD MET A 8 92.567 -1.850 -6.296 1.00 0.00 S ATOM 120 CE MET A 8 93.166 -1.554 -4.613 1.00 0.00 C ATOM 0 H MET A 8 94.111 -1.151 -10.979 1.00 0.00 H new ATOM 0 HA MET A 8 95.514 0.047 -8.768 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.021 0.099 -9.132 1.00 0.00 H new ATOM 0 HB3 MET A 8 92.953 -1.631 -8.858 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.454 -0.400 -6.689 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.939 0.460 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.700 -2.265 -3.931 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.248 -1.680 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.911 -0.539 -4.309 1.00 0.00 H new ATOM 130 N ARG A 9 95.395 -3.239 -8.897 1.00 0.00 N ATOM 131 CA ARG A 9 95.960 -4.474 -8.276 1.00 0.00 C ATOM 132 C ARG A 9 97.481 -4.356 -8.100 1.00 0.00 C ATOM 133 O ARG A 9 97.985 -4.494 -7.000 1.00 0.00 O ATOM 134 CB ARG A 9 95.638 -5.678 -9.165 1.00 0.00 C ATOM 135 CG ARG A 9 94.388 -6.385 -8.636 1.00 0.00 C ATOM 136 CD ARG A 9 94.744 -7.813 -8.213 1.00 0.00 C ATOM 137 NE ARG A 9 95.611 -8.440 -9.250 1.00 0.00 N ATOM 138 CZ ARG A 9 95.090 -8.878 -10.365 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.806 -8.768 -10.577 1.00 0.00 N ATOM 140 NH2 ARG A 9 95.854 -9.430 -11.269 1.00 0.00 N ATOM 0 H ARG A 9 94.862 -3.394 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 9 95.511 -4.605 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.477 -5.352 -10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.481 -6.369 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 9 93.979 -5.835 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 9 93.616 -6.405 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.259 -7.801 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 9 93.836 -8.401 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 9 96.614 -8.527 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.207 -8.339 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.402 -9.111 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 9 96.857 -9.519 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 9 95.448 -9.772 -12.140 1.00 0.00 H new ATOM 154 N PRO A 10 98.173 -4.112 -9.184 1.00 0.00 N ATOM 155 CA PRO A 10 99.642 -3.983 -9.170 1.00 0.00 C ATOM 156 C PRO A 10 100.070 -2.693 -8.471 1.00 0.00 C ATOM 157 O PRO A 10 101.093 -2.647 -7.816 1.00 0.00 O ATOM 158 CB PRO A 10 100.027 -3.983 -10.648 1.00 0.00 C ATOM 159 CG PRO A 10 98.758 -3.577 -11.421 1.00 0.00 C ATOM 160 CD PRO A 10 97.565 -3.926 -10.513 1.00 0.00 C ATOM 0 HA PRO A 10 100.134 -4.785 -8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.840 -3.283 -10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.375 -4.968 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.770 -2.512 -11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.693 -4.111 -12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.823 -3.128 -10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.057 -4.830 -10.850 1.00 0.00 H new ATOM 168 N TRP A 11 99.299 -1.649 -8.587 1.00 0.00 N ATOM 169 CA TRP A 11 99.678 -0.383 -7.905 1.00 0.00 C ATOM 170 C TRP A 11 99.756 -0.640 -6.397 1.00 0.00 C ATOM 171 O TRP A 11 100.678 -0.210 -5.723 1.00 0.00 O ATOM 172 CB TRP A 11 98.624 0.688 -8.195 1.00 0.00 C ATOM 173 CG TRP A 11 99.120 2.014 -7.720 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.739 2.936 -8.494 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.048 2.585 -6.382 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.052 4.036 -7.714 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.648 3.866 -6.407 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.528 2.120 -5.162 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.728 4.659 -5.264 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.608 2.915 -4.006 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.206 4.182 -4.058 1.00 0.00 C ATOM 0 H TRP A 11 98.430 -1.617 -9.120 1.00 0.00 H new ATOM 0 HA TRP A 11 100.645 -0.037 -8.270 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.414 0.727 -9.264 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.688 0.437 -7.696 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.953 2.831 -9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.524 4.870 -8.064 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.064 1.146 -5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.190 5.634 -5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.207 2.548 -3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.263 4.789 -3.167 1.00 0.00 H new ATOM 192 N LEU A 12 98.804 -1.358 -5.862 1.00 0.00 N ATOM 193 CA LEU A 12 98.830 -1.658 -4.407 1.00 0.00 C ATOM 194 C LEU A 12 99.962 -2.642 -4.139 1.00 0.00 C ATOM 195 O LEU A 12 100.782 -2.437 -3.267 1.00 0.00 O ATOM 196 CB LEU A 12 97.496 -2.276 -3.981 1.00 0.00 C ATOM 197 CG LEU A 12 97.179 -1.862 -2.543 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.985 -0.345 -2.479 1.00 0.00 C ATOM 199 CD2 LEU A 12 95.897 -2.558 -2.081 1.00 0.00 C ATOM 0 H LEU A 12 98.011 -1.748 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 12 98.988 -0.741 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.700 -1.947 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.546 -3.362 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 12 98.005 -2.151 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.759 -0.050 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.898 0.153 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.160 -0.056 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.672 -2.263 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.072 -2.269 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.033 -3.639 -2.125 1.00 0.00 H new ATOM 211 N GLU A 13 100.030 -3.703 -4.897 1.00 0.00 N ATOM 212 CA GLU A 13 101.130 -4.682 -4.692 1.00 0.00 C ATOM 213 C GLU A 13 102.460 -3.929 -4.752 1.00 0.00 C ATOM 214 O GLU A 13 103.456 -4.353 -4.199 1.00 0.00 O ATOM 215 CB GLU A 13 101.092 -5.742 -5.797 1.00 0.00 C ATOM 216 CG GLU A 13 101.843 -6.992 -5.333 1.00 0.00 C ATOM 217 CD GLU A 13 102.455 -7.700 -6.544 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.487 -7.097 -7.604 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.882 -8.833 -6.390 1.00 0.00 O ATOM 0 H GLU A 13 99.375 -3.931 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 13 101.017 -5.175 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.059 -5.994 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.545 -5.350 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 13 102.625 -6.717 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.163 -7.665 -4.811 1.00 0.00 H new ATOM 226 N GLU A 14 102.473 -2.804 -5.416 1.00 0.00 N ATOM 227 CA GLU A 14 103.726 -2.008 -5.517 1.00 0.00 C ATOM 228 C GLU A 14 103.952 -1.258 -4.205 1.00 0.00 C ATOM 229 O GLU A 14 105.005 -1.342 -3.608 1.00 0.00 O ATOM 230 CB GLU A 14 103.604 -1.004 -6.666 1.00 0.00 C ATOM 231 CG GLU A 14 104.439 -1.485 -7.853 1.00 0.00 C ATOM 232 CD GLU A 14 105.834 -0.859 -7.786 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.583 -1.222 -6.895 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.128 -0.027 -8.628 1.00 0.00 O ATOM 0 H GLU A 14 101.666 -2.403 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 14 104.568 -2.673 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 14 102.560 -0.898 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 14 103.945 -0.021 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 14 104.516 -2.572 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 103.951 -1.212 -8.789 1.00 0.00 H new ATOM 241 N GLN A 15 102.972 -0.524 -3.747 1.00 0.00 N ATOM 242 CA GLN A 15 103.145 0.222 -2.466 1.00 0.00 C ATOM 243 C GLN A 15 103.612 -0.748 -1.376 1.00 0.00 C ATOM 244 O GLN A 15 104.550 -0.480 -0.651 1.00 0.00 O ATOM 245 CB GLN A 15 101.810 0.848 -2.050 1.00 0.00 C ATOM 246 CG GLN A 15 101.306 1.778 -3.157 1.00 0.00 C ATOM 247 CD GLN A 15 102.458 2.649 -3.666 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.953 3.499 -2.952 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.908 2.470 -4.876 1.00 0.00 N ATOM 0 H GLN A 15 102.066 -0.409 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 15 103.887 1.009 -2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.076 0.066 -1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.933 1.406 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 15 100.892 1.191 -3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.502 2.408 -2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.492 1.756 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.676 3.043 -5.224 1.00 0.00 H new ATOM 258 N ILE A 16 102.959 -1.872 -1.255 1.00 0.00 N ATOM 259 CA ILE A 16 103.352 -2.864 -0.214 1.00 0.00 C ATOM 260 C ILE A 16 104.762 -3.390 -0.499 1.00 0.00 C ATOM 261 O ILE A 16 105.613 -3.410 0.368 1.00 0.00 O ATOM 262 CB ILE A 16 102.363 -4.031 -0.234 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.941 -3.491 -0.076 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.671 -4.987 0.918 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.951 -4.449 -0.740 1.00 0.00 C ATOM 0 H ILE A 16 102.166 -2.147 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 16 103.341 -2.384 0.764 1.00 0.00 H new ATOM 0 HB ILE A 16 102.452 -4.564 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.700 -3.378 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.864 -2.502 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.965 -5.817 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.685 -5.371 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.583 -4.455 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.938 -4.062 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.188 -4.540 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.020 -5.429 -0.268 1.00 0.00 H new ATOM 277 N ASN A 17 105.015 -3.824 -1.704 1.00 0.00 N ATOM 278 CA ASN A 17 106.367 -4.356 -2.037 1.00 0.00 C ATOM 279 C ASN A 17 107.411 -3.243 -1.913 1.00 0.00 C ATOM 280 O ASN A 17 108.599 -3.497 -1.866 1.00 0.00 O ATOM 281 CB ASN A 17 106.362 -4.887 -3.471 1.00 0.00 C ATOM 282 CG ASN A 17 106.095 -6.394 -3.455 1.00 0.00 C ATOM 283 OD1 ASN A 17 105.804 -6.958 -2.419 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.185 -7.071 -4.566 1.00 0.00 N ATOM 0 H ASN A 17 104.344 -3.833 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 17 106.616 -5.161 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.597 -4.377 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.319 -4.681 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.011 -8.076 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.429 -6.595 -5.435 1.00 0.00 H new ATOM 291 N SER A 18 106.981 -2.013 -1.862 1.00 0.00 N ATOM 292 CA SER A 18 107.954 -0.891 -1.745 1.00 0.00 C ATOM 293 C SER A 18 108.210 -0.587 -0.268 1.00 0.00 C ATOM 294 O SER A 18 109.298 -0.213 0.119 1.00 0.00 O ATOM 295 CB SER A 18 107.382 0.353 -2.426 1.00 0.00 C ATOM 296 OG SER A 18 106.465 0.991 -1.548 1.00 0.00 O ATOM 0 H SER A 18 106.000 -1.736 -1.896 1.00 0.00 H new ATOM 0 HA SER A 18 108.890 -1.173 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 18 108.187 1.039 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.882 0.076 -3.354 1.00 0.00 H new ATOM 0 HG SER A 18 105.780 0.349 -1.267 1.00 0.00 H new ATOM 302 N ASN A 19 107.208 -0.742 0.554 1.00 0.00 N ATOM 303 CA ASN A 19 107.377 -0.459 2.008 1.00 0.00 C ATOM 304 C ASN A 19 107.304 1.051 2.236 1.00 0.00 C ATOM 305 O ASN A 19 108.227 1.661 2.738 1.00 0.00 O ATOM 306 CB ASN A 19 108.732 -0.985 2.489 1.00 0.00 C ATOM 307 CG ASN A 19 108.547 -1.731 3.812 1.00 0.00 C ATOM 308 OD1 ASN A 19 108.456 -1.121 4.859 1.00 0.00 O ATOM 309 ND2 ASN A 19 108.484 -3.035 3.810 1.00 0.00 N ATOM 0 H ASN A 19 106.276 -1.054 0.280 1.00 0.00 H new ATOM 0 HA ASN A 19 106.585 -0.956 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 19 109.163 -1.650 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 19 109.430 -0.158 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 19 108.358 -3.541 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.560 -3.548 2.932 1.00 0.00 H new ATOM 316 N THR A 20 106.211 1.657 1.865 1.00 0.00 N ATOM 317 CA THR A 20 106.069 3.127 2.051 1.00 0.00 C ATOM 318 C THR A 20 105.354 3.407 3.376 1.00 0.00 C ATOM 319 O THR A 20 105.843 4.140 4.214 1.00 0.00 O ATOM 320 CB THR A 20 105.253 3.703 0.892 1.00 0.00 C ATOM 321 OG1 THR A 20 104.886 2.653 0.008 1.00 0.00 O ATOM 322 CG2 THR A 20 106.093 4.734 0.138 1.00 0.00 C ATOM 0 H THR A 20 105.407 1.195 1.439 1.00 0.00 H new ATOM 0 HA THR A 20 107.054 3.593 2.070 1.00 0.00 H new ATOM 0 HB THR A 20 104.355 4.183 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 20 105.687 2.306 -0.438 1.00 0.00 H new ATOM 0 HG21 THR A 20 105.511 5.144 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.377 5.538 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 20 106.991 4.256 -0.253 1.00 0.00 H new ATOM 330 N ILE A 21 104.202 2.826 3.576 1.00 0.00 N ATOM 331 CA ILE A 21 103.461 3.055 4.849 1.00 0.00 C ATOM 332 C ILE A 21 103.717 1.874 5.799 1.00 0.00 C ATOM 333 O ILE A 21 103.560 0.732 5.414 1.00 0.00 O ATOM 334 CB ILE A 21 101.964 3.170 4.545 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.741 4.328 3.565 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.195 3.440 5.840 1.00 0.00 C ATOM 337 CD1 ILE A 21 100.309 4.283 3.025 1.00 0.00 C ATOM 0 H ILE A 21 103.742 2.203 2.913 1.00 0.00 H new ATOM 0 HA ILE A 21 103.802 3.976 5.322 1.00 0.00 H new ATOM 0 HB ILE A 21 101.606 2.239 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.921 5.280 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 21 102.452 4.262 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.130 3.521 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.360 2.620 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.546 4.371 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 21 100.156 5.108 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 21 100.145 3.337 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 21 99.605 4.371 3.853 1.00 0.00 H new ATOM 349 N PRO A 22 104.112 2.181 7.012 1.00 0.00 N ATOM 350 CA PRO A 22 104.416 1.156 8.029 1.00 0.00 C ATOM 351 C PRO A 22 103.134 0.504 8.553 1.00 0.00 C ATOM 352 O PRO A 22 103.160 -0.580 9.100 1.00 0.00 O ATOM 353 CB PRO A 22 105.139 1.938 9.130 1.00 0.00 C ATOM 354 CG PRO A 22 104.731 3.419 8.951 1.00 0.00 C ATOM 355 CD PRO A 22 104.278 3.571 7.487 1.00 0.00 C ATOM 0 HA PRO A 22 105.018 0.336 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.854 1.573 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.219 1.819 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.926 3.686 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.568 4.082 9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.345 4.130 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.019 4.108 6.895 1.00 0.00 H new ATOM 363 N GLY A 23 102.012 1.143 8.378 1.00 0.00 N ATOM 364 CA GLY A 23 100.739 0.539 8.858 1.00 0.00 C ATOM 365 C GLY A 23 100.183 -0.382 7.771 1.00 0.00 C ATOM 366 O GLY A 23 99.254 -1.132 7.994 1.00 0.00 O ATOM 0 H GLY A 23 101.921 2.053 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 23 100.912 -0.023 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.017 1.321 9.094 1.00 0.00 H new ATOM 370 N LEU A 24 100.749 -0.332 6.594 1.00 0.00 N ATOM 371 CA LEU A 24 100.262 -1.207 5.494 1.00 0.00 C ATOM 372 C LEU A 24 101.442 -2.043 4.983 1.00 0.00 C ATOM 373 O LEU A 24 102.504 -1.522 4.709 1.00 0.00 O ATOM 374 CB LEU A 24 99.671 -0.319 4.376 1.00 0.00 C ATOM 375 CG LEU A 24 100.224 -0.715 3.001 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.675 -2.089 2.608 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.799 0.323 1.959 1.00 0.00 C ATOM 0 H LEU A 24 101.528 0.279 6.349 1.00 0.00 H new ATOM 0 HA LEU A 24 99.481 -1.883 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.585 -0.408 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.904 0.727 4.577 1.00 0.00 H new ATOM 0 HG LEU A 24 101.312 -0.757 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.067 -2.372 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.980 -2.828 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.587 -2.047 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.193 0.041 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.711 0.368 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.191 1.301 2.239 1.00 0.00 H new ATOM 389 N LYS A 25 101.269 -3.330 4.851 1.00 0.00 N ATOM 390 CA LYS A 25 102.411 -4.166 4.353 1.00 0.00 C ATOM 391 C LYS A 25 101.991 -5.628 4.155 1.00 0.00 C ATOM 392 O LYS A 25 100.850 -5.993 4.345 1.00 0.00 O ATOM 393 CB LYS A 25 103.571 -4.106 5.352 1.00 0.00 C ATOM 394 CG LYS A 25 103.030 -3.883 6.762 1.00 0.00 C ATOM 395 CD LYS A 25 101.997 -4.961 7.087 1.00 0.00 C ATOM 396 CE LYS A 25 102.088 -5.323 8.570 1.00 0.00 C ATOM 397 NZ LYS A 25 102.350 -4.090 9.365 1.00 0.00 N ATOM 0 H LYS A 25 100.408 -3.835 5.060 1.00 0.00 H new ATOM 0 HA LYS A 25 102.724 -3.764 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.143 -5.033 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.253 -3.300 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.845 -3.915 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.576 -2.895 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 25 100.995 -4.603 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.173 -5.845 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.160 -5.791 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.885 -6.049 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.114 -4.264 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.355 -3.833 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.764 -3.311 9.001 1.00 0.00 H new ATOM 411 N TRP A 26 102.922 -6.465 3.761 1.00 0.00 N ATOM 412 CA TRP A 26 102.609 -7.909 3.534 1.00 0.00 C ATOM 413 C TRP A 26 102.776 -8.693 4.840 1.00 0.00 C ATOM 414 O TRP A 26 103.878 -9.046 5.209 1.00 0.00 O ATOM 415 CB TRP A 26 103.603 -8.502 2.523 1.00 0.00 C ATOM 416 CG TRP A 26 103.284 -8.078 1.126 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.100 -7.337 0.342 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.109 -8.381 0.321 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.490 -7.145 -0.884 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.262 -7.771 -0.948 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.938 -9.111 0.567 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.282 -7.883 -1.935 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.950 -9.231 -0.423 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.122 -8.617 -1.673 1.00 0.00 C ATOM 0 H TRP A 26 103.893 -6.205 3.586 1.00 0.00 H new ATOM 0 HA TRP A 26 101.585 -7.982 3.167 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.615 -8.186 2.778 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.583 -9.590 2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.070 -6.957 0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.898 -6.606 -1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.795 -9.585 1.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.419 -7.406 -2.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.053 -9.798 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.359 -8.712 -2.431 1.00 0.00 H new ATOM 435 N LEU A 27 101.713 -9.019 5.523 1.00 0.00 N ATOM 436 CA LEU A 27 101.884 -9.829 6.761 1.00 0.00 C ATOM 437 C LEU A 27 102.599 -11.108 6.353 1.00 0.00 C ATOM 438 O LEU A 27 103.358 -11.693 7.102 1.00 0.00 O ATOM 439 CB LEU A 27 100.521 -10.194 7.364 1.00 0.00 C ATOM 440 CG LEU A 27 99.617 -8.960 7.505 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.824 -9.088 8.808 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.452 -7.671 7.552 1.00 0.00 C ATOM 0 H LEU A 27 100.754 -8.766 5.285 1.00 0.00 H new ATOM 0 HA LEU A 27 102.446 -9.265 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.030 -10.935 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.666 -10.653 8.342 1.00 0.00 H new ATOM 0 HG LEU A 27 98.949 -8.908 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.175 -8.220 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.217 -9.993 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.514 -9.142 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 27 99.789 -6.812 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.130 -7.708 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.030 -7.578 6.633 1.00 0.00 H new ATOM 454 N ASN A 28 102.354 -11.530 5.146 1.00 0.00 N ATOM 455 CA ASN A 28 102.995 -12.758 4.617 1.00 0.00 C ATOM 456 C ASN A 28 102.964 -12.687 3.090 1.00 0.00 C ATOM 457 O ASN A 28 102.147 -13.316 2.445 1.00 0.00 O ATOM 458 CB ASN A 28 102.219 -13.990 5.091 1.00 0.00 C ATOM 459 CG ASN A 28 102.640 -14.341 6.519 1.00 0.00 C ATOM 460 OD1 ASN A 28 102.096 -13.817 7.472 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.593 -15.211 6.710 1.00 0.00 N ATOM 0 H ASN A 28 101.724 -11.064 4.493 1.00 0.00 H new ATOM 0 HA ASN A 28 104.022 -12.833 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.147 -13.794 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.412 -14.832 4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.881 -15.451 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.050 -15.651 5.911 1.00 0.00 H new ATOM 468 N LYS A 29 103.841 -11.916 2.504 1.00 0.00 N ATOM 469 CA LYS A 29 103.849 -11.808 1.020 1.00 0.00 C ATOM 470 C LYS A 29 104.061 -13.205 0.433 1.00 0.00 C ATOM 471 O LYS A 29 103.762 -13.463 -0.714 1.00 0.00 O ATOM 472 CB LYS A 29 104.969 -10.857 0.573 1.00 0.00 C ATOM 473 CG LYS A 29 104.590 -10.206 -0.759 1.00 0.00 C ATOM 474 CD LYS A 29 104.714 -11.224 -1.892 1.00 0.00 C ATOM 475 CE LYS A 29 103.324 -11.521 -2.460 1.00 0.00 C ATOM 476 NZ LYS A 29 103.448 -12.453 -3.615 1.00 0.00 N ATOM 0 H LYS A 29 104.547 -11.360 2.987 1.00 0.00 H new ATOM 0 HA LYS A 29 102.900 -11.405 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 29 105.132 -10.090 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.905 -11.406 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 103.569 -9.826 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.239 -9.352 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 29 105.364 -10.835 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 29 105.172 -12.142 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.691 -11.962 -1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.843 -10.595 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.565 -12.445 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 104.236 -12.150 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 103.630 -13.416 -3.266 1.00 0.00 H new ATOM 490 N GLU A 30 104.553 -14.120 1.224 1.00 0.00 N ATOM 491 CA GLU A 30 104.756 -15.504 0.714 1.00 0.00 C ATOM 492 C GLU A 30 103.398 -16.070 0.296 1.00 0.00 C ATOM 493 O GLU A 30 103.253 -16.650 -0.761 1.00 0.00 O ATOM 494 CB GLU A 30 105.362 -16.375 1.818 1.00 0.00 C ATOM 495 CG GLU A 30 105.255 -17.850 1.420 1.00 0.00 C ATOM 496 CD GLU A 30 106.650 -18.478 1.396 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.444 -18.076 0.562 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.899 -19.351 2.211 1.00 0.00 O ATOM 0 H GLU A 30 104.822 -13.969 2.196 1.00 0.00 H new ATOM 0 HA GLU A 30 105.434 -15.494 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.406 -16.105 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.841 -16.202 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.618 -18.382 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.788 -17.939 0.439 1.00 0.00 H new ATOM 505 N LYS A 31 102.396 -15.889 1.115 1.00 0.00 N ATOM 506 CA LYS A 31 101.042 -16.397 0.761 1.00 0.00 C ATOM 507 C LYS A 31 100.187 -15.232 0.253 1.00 0.00 C ATOM 508 O LYS A 31 98.994 -15.361 0.062 1.00 0.00 O ATOM 509 CB LYS A 31 100.386 -17.022 1.995 1.00 0.00 C ATOM 510 CG LYS A 31 100.511 -18.546 1.922 1.00 0.00 C ATOM 511 CD LYS A 31 101.006 -19.085 3.266 1.00 0.00 C ATOM 512 CE LYS A 31 100.870 -20.609 3.286 1.00 0.00 C ATOM 513 NZ LYS A 31 102.123 -21.213 3.822 1.00 0.00 N ATOM 0 H LYS A 31 102.459 -15.411 2.014 1.00 0.00 H new ATOM 0 HA LYS A 31 101.126 -17.155 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.863 -16.650 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.336 -16.735 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.546 -18.989 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.204 -18.827 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 31 102.046 -18.800 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 100.429 -18.647 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.020 -20.901 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.676 -20.981 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 102.031 -22.249 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 102.925 -20.945 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 102.289 -20.867 4.789 1.00 0.00 H new ATOM 527 N LYS A 32 100.800 -14.096 0.024 1.00 0.00 N ATOM 528 CA LYS A 32 100.055 -12.909 -0.491 1.00 0.00 C ATOM 529 C LYS A 32 99.085 -12.362 0.564 1.00 0.00 C ATOM 530 O LYS A 32 97.904 -12.239 0.321 1.00 0.00 O ATOM 531 CB LYS A 32 99.278 -13.297 -1.752 1.00 0.00 C ATOM 532 CG LYS A 32 100.138 -13.014 -2.985 1.00 0.00 C ATOM 533 CD LYS A 32 100.037 -11.533 -3.353 1.00 0.00 C ATOM 534 CE LYS A 32 98.571 -11.165 -3.589 1.00 0.00 C ATOM 535 NZ LYS A 32 98.432 -10.498 -4.914 1.00 0.00 N ATOM 0 H LYS A 32 101.797 -13.941 0.174 1.00 0.00 H new ATOM 0 HA LYS A 32 100.778 -12.128 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.009 -14.353 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.347 -12.733 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 32 101.176 -13.279 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.807 -13.630 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.453 -10.920 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 32 100.623 -11.329 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 32 97.950 -12.060 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 32 98.220 -10.502 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 97.435 -10.248 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 99.012 -9.635 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 98.751 -11.145 -5.663 1.00 0.00 H new ATOM 549 N ILE A 33 99.574 -12.003 1.725 1.00 0.00 N ATOM 550 CA ILE A 33 98.668 -11.431 2.770 1.00 0.00 C ATOM 551 C ILE A 33 99.116 -10.009 3.093 1.00 0.00 C ATOM 552 O ILE A 33 100.238 -9.785 3.499 1.00 0.00 O ATOM 553 CB ILE A 33 98.718 -12.265 4.047 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.179 -13.669 3.765 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.849 -11.582 5.107 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.234 -14.478 3.008 1.00 0.00 C ATOM 0 H ILE A 33 100.555 -12.080 1.994 1.00 0.00 H new ATOM 0 HA ILE A 33 97.648 -11.435 2.386 1.00 0.00 H new ATOM 0 HB ILE A 33 99.745 -12.346 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.925 -14.167 4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.263 -13.607 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.873 -12.165 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.232 -10.580 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.822 -11.514 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.850 -15.478 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.466 -13.982 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.139 -14.551 3.612 1.00 0.00 H new ATOM 568 N PHE A 34 98.261 -9.042 2.914 1.00 0.00 N ATOM 569 CA PHE A 34 98.672 -7.644 3.210 1.00 0.00 C ATOM 570 C PHE A 34 97.670 -6.977 4.157 1.00 0.00 C ATOM 571 O PHE A 34 96.476 -6.995 3.932 1.00 0.00 O ATOM 572 CB PHE A 34 98.754 -6.850 1.899 1.00 0.00 C ATOM 573 CG PHE A 34 97.365 -6.456 1.442 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.468 -7.432 0.989 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.976 -5.111 1.473 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.184 -7.062 0.568 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.692 -4.741 1.052 1.00 0.00 C ATOM 578 CZ PHE A 34 94.796 -5.716 0.601 1.00 0.00 C ATOM 0 H PHE A 34 97.305 -9.158 2.579 1.00 0.00 H new ATOM 0 HA PHE A 34 99.648 -7.658 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.365 -5.959 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.241 -7.450 1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.766 -8.470 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.667 -4.358 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.493 -7.815 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.394 -3.703 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.805 -5.431 0.278 1.00 0.00 H new ATOM 588 N GLN A 35 98.154 -6.374 5.209 1.00 0.00 N ATOM 589 CA GLN A 35 97.241 -5.691 6.162 1.00 0.00 C ATOM 590 C GLN A 35 97.365 -4.178 5.969 1.00 0.00 C ATOM 591 O GLN A 35 98.433 -3.660 5.710 1.00 0.00 O ATOM 592 CB GLN A 35 97.609 -6.085 7.608 1.00 0.00 C ATOM 593 CG GLN A 35 98.442 -4.986 8.283 1.00 0.00 C ATOM 594 CD GLN A 35 98.945 -5.474 9.643 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.640 -6.574 10.059 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.710 -4.693 10.356 1.00 0.00 N ATOM 0 H GLN A 35 99.145 -6.326 5.448 1.00 0.00 H new ATOM 0 HA GLN A 35 96.211 -5.993 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.700 -6.262 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.170 -7.020 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.286 -4.717 7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 35 97.839 -4.087 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.965 -3.770 10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.053 -5.006 11.264 1.00 0.00 H new ATOM 605 N ILE A 36 96.287 -3.469 6.105 1.00 0.00 N ATOM 606 CA ILE A 36 96.349 -1.992 5.943 1.00 0.00 C ATOM 607 C ILE A 36 96.002 -1.363 7.300 1.00 0.00 C ATOM 608 O ILE A 36 95.270 -1.955 8.062 1.00 0.00 O ATOM 609 CB ILE A 36 95.321 -1.577 4.878 1.00 0.00 C ATOM 610 CG1 ILE A 36 95.877 -1.874 3.485 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.003 -0.083 4.977 1.00 0.00 C ATOM 612 CD1 ILE A 36 94.760 -1.721 2.451 1.00 0.00 C ATOM 0 H ILE A 36 95.364 -3.845 6.321 1.00 0.00 H new ATOM 0 HA ILE A 36 97.338 -1.661 5.626 1.00 0.00 H new ATOM 0 HB ILE A 36 94.406 -2.145 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 96.696 -1.193 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.284 -2.885 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.273 0.185 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.594 0.137 5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 36 95.915 0.494 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.153 -1.932 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 93.955 -2.420 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.375 -0.702 2.480 1.00 0.00 H new ATOM 624 N PRO A 37 96.540 -0.193 7.568 1.00 0.00 N ATOM 625 CA PRO A 37 96.287 0.530 8.833 1.00 0.00 C ATOM 626 C PRO A 37 94.971 1.316 8.762 1.00 0.00 C ATOM 627 O PRO A 37 94.237 1.385 9.728 1.00 0.00 O ATOM 628 CB PRO A 37 97.471 1.477 8.944 1.00 0.00 C ATOM 629 CG PRO A 37 98.008 1.678 7.504 1.00 0.00 C ATOM 630 CD PRO A 37 97.470 0.505 6.659 1.00 0.00 C ATOM 0 HA PRO A 37 96.192 -0.138 9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.168 2.428 9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.242 1.060 9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.674 2.632 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.098 1.692 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 37 96.961 0.859 5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.275 -0.152 6.330 1.00 0.00 H new ATOM 638 N TRP A 38 94.648 1.887 7.628 1.00 0.00 N ATOM 639 CA TRP A 38 93.357 2.631 7.513 1.00 0.00 C ATOM 640 C TRP A 38 93.400 3.895 8.376 1.00 0.00 C ATOM 641 O TRP A 38 94.417 4.554 8.470 1.00 0.00 O ATOM 642 CB TRP A 38 92.235 1.710 7.979 1.00 0.00 C ATOM 643 CG TRP A 38 92.414 0.414 7.274 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.225 -0.577 7.675 1.00 0.00 C ATOM 645 CD2 TRP A 38 91.814 -0.026 6.032 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.169 -1.604 6.752 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.301 -1.313 5.725 1.00 0.00 C ATOM 648 CE3 TRP A 38 90.898 0.561 5.158 1.00 0.00 C ATOM 649 CZ2 TRP A 38 91.897 -1.993 4.581 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.483 -0.109 4.008 1.00 0.00 C ATOM 651 CH2 TRP A 38 90.983 -1.389 3.715 1.00 0.00 C ATOM 0 H TRP A 38 95.218 1.870 6.783 1.00 0.00 H new ATOM 0 HA TRP A 38 93.187 2.933 6.480 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.275 1.570 9.059 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.261 2.142 7.749 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.824 -0.573 8.573 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.704 -2.469 6.823 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.507 1.544 5.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.286 -2.977 4.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 89.774 0.358 3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 38 90.661 -1.905 2.822 1.00 0.00 H new ATOM 662 N MET A 39 92.309 4.247 9.001 1.00 0.00 N ATOM 663 CA MET A 39 92.302 5.476 9.846 1.00 0.00 C ATOM 664 C MET A 39 91.992 5.111 11.300 1.00 0.00 C ATOM 665 O MET A 39 90.922 4.629 11.616 1.00 0.00 O ATOM 666 CB MET A 39 91.235 6.440 9.323 1.00 0.00 C ATOM 667 CG MET A 39 91.194 7.685 10.210 1.00 0.00 C ATOM 668 SD MET A 39 92.848 8.416 10.305 1.00 0.00 S ATOM 669 CE MET A 39 93.125 8.580 8.525 1.00 0.00 C ATOM 0 H MET A 39 91.425 3.739 8.964 1.00 0.00 H new ATOM 0 HA MET A 39 93.283 5.950 9.801 1.00 0.00 H new ATOM 0 HB2 MET A 39 91.457 6.721 8.293 1.00 0.00 H new ATOM 0 HB3 MET A 39 90.260 5.952 9.317 1.00 0.00 H new ATOM 0 HG2 MET A 39 90.488 8.410 9.805 1.00 0.00 H new ATOM 0 HG3 MET A 39 90.844 7.422 11.208 1.00 0.00 H new ATOM 0 HE1 MET A 39 93.745 9.455 8.332 1.00 0.00 H new ATOM 0 HE2 MET A 39 93.629 7.689 8.152 1.00 0.00 H new ATOM 0 HE3 MET A 39 92.168 8.695 8.017 1.00 0.00 H new ATOM 679 N HIS A 40 92.921 5.344 12.189 1.00 0.00 N ATOM 680 CA HIS A 40 92.683 5.019 13.624 1.00 0.00 C ATOM 681 C HIS A 40 92.335 6.305 14.379 1.00 0.00 C ATOM 682 O HIS A 40 92.357 6.351 15.593 1.00 0.00 O ATOM 683 CB HIS A 40 93.947 4.400 14.225 1.00 0.00 C ATOM 684 CG HIS A 40 93.565 3.277 15.150 1.00 0.00 C ATOM 685 ND1 HIS A 40 93.394 3.468 16.513 1.00 0.00 N ATOM 686 CD2 HIS A 40 93.320 1.944 14.925 1.00 0.00 C ATOM 687 CE1 HIS A 40 93.060 2.280 17.050 1.00 0.00 C ATOM 688 NE2 HIS A 40 93.000 1.317 16.126 1.00 0.00 N ATOM 0 H HIS A 40 93.835 5.746 11.982 1.00 0.00 H new ATOM 0 HA HIS A 40 91.860 4.310 13.708 1.00 0.00 H new ATOM 0 HB2 HIS A 40 94.595 4.027 13.432 1.00 0.00 H new ATOM 0 HB3 HIS A 40 94.512 5.157 14.769 1.00 0.00 H new ATOM 0 HD1 HIS A 40 93.502 4.348 17.017 1.00 0.00 H new ATOM 0 HD2 HIS A 40 93.368 1.457 13.962 1.00 0.00 H new ATOM 0 HE1 HIS A 40 92.864 2.124 18.101 1.00 0.00 H new ATOM 696 N ALA A 41 92.016 7.351 13.666 1.00 0.00 N ATOM 697 CA ALA A 41 91.666 8.636 14.336 1.00 0.00 C ATOM 698 C ALA A 41 91.037 9.585 13.313 1.00 0.00 C ATOM 699 O ALA A 41 91.360 10.755 13.253 1.00 0.00 O ATOM 700 CB ALA A 41 92.933 9.273 14.911 1.00 0.00 C ATOM 0 H ALA A 41 91.983 7.371 12.647 1.00 0.00 H new ATOM 0 HA ALA A 41 90.958 8.446 15.142 1.00 0.00 H new ATOM 0 HB1 ALA A 41 92.678 10.213 15.401 1.00 0.00 H new ATOM 0 HB2 ALA A 41 93.383 8.596 15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 41 93.642 9.465 14.105 1.00 0.00 H new ATOM 706 N ALA A 42 90.135 9.089 12.513 1.00 0.00 N ATOM 707 CA ALA A 42 89.472 9.954 11.494 1.00 0.00 C ATOM 708 C ALA A 42 89.108 11.297 12.128 1.00 0.00 C ATOM 709 O ALA A 42 89.036 11.411 13.336 1.00 0.00 O ATOM 710 CB ALA A 42 88.186 9.265 11.023 1.00 0.00 C ATOM 0 H ALA A 42 89.826 8.117 12.520 1.00 0.00 H new ATOM 0 HA ALA A 42 90.146 10.115 10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 42 87.692 9.888 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 42 88.431 8.298 10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 42 87.519 9.119 11.873 1.00 0.00 H new ATOM 716 N ARG A 43 88.850 12.312 11.334 1.00 0.00 N ATOM 717 CA ARG A 43 88.455 13.626 11.927 1.00 0.00 C ATOM 718 C ARG A 43 87.405 13.327 12.991 1.00 0.00 C ATOM 719 O ARG A 43 87.291 13.999 13.997 1.00 0.00 O ATOM 720 CB ARG A 43 87.855 14.530 10.847 1.00 0.00 C ATOM 721 CG ARG A 43 88.318 15.972 11.071 1.00 0.00 C ATOM 722 CD ARG A 43 87.116 16.915 10.978 1.00 0.00 C ATOM 723 NE ARG A 43 87.412 18.177 11.711 1.00 0.00 N ATOM 724 CZ ARG A 43 86.481 19.080 11.868 1.00 0.00 C ATOM 725 NH1 ARG A 43 85.284 18.883 11.383 1.00 0.00 N ATOM 726 NH2 ARG A 43 86.745 20.182 12.512 1.00 0.00 N ATOM 0 H ARG A 43 88.896 12.286 10.315 1.00 0.00 H new ATOM 0 HA ARG A 43 89.317 14.138 12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 43 88.163 14.188 9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 43 86.767 14.478 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 43 88.792 16.065 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 43 89.066 16.245 10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 43 86.892 17.133 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 43 86.232 16.436 11.400 1.00 0.00 H new ATOM 0 HE ARG A 43 88.345 18.337 12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 43 85.073 18.021 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 43 84.560 19.591 11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 43 87.678 20.339 12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 43 86.019 20.887 12.635 1.00 0.00 H new ATOM 740 N HIS A 44 86.672 12.273 12.771 1.00 0.00 N ATOM 741 CA HIS A 44 85.650 11.831 13.744 1.00 0.00 C ATOM 742 C HIS A 44 86.145 10.511 14.335 1.00 0.00 C ATOM 743 O HIS A 44 86.206 10.331 15.534 1.00 0.00 O ATOM 744 CB HIS A 44 84.321 11.621 13.030 1.00 0.00 C ATOM 745 CG HIS A 44 83.385 12.725 13.421 1.00 0.00 C ATOM 746 ND1 HIS A 44 82.153 12.479 14.000 1.00 0.00 N ATOM 747 CD2 HIS A 44 83.498 14.088 13.337 1.00 0.00 C ATOM 748 CE1 HIS A 44 81.576 13.669 14.240 1.00 0.00 C ATOM 749 NE2 HIS A 44 82.354 14.684 13.853 1.00 0.00 N ATOM 0 H HIS A 44 86.744 11.690 11.937 1.00 0.00 H new ATOM 0 HA HIS A 44 85.499 12.574 14.527 1.00 0.00 H new ATOM 0 HB2 HIS A 44 84.469 11.616 11.950 1.00 0.00 H new ATOM 0 HB3 HIS A 44 83.897 10.653 13.298 1.00 0.00 H new ATOM 0 HD2 HIS A 44 84.347 14.618 12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 44 80.602 13.790 14.691 1.00 0.00 H new ATOM 0 HE2 HIS A 44 82.152 15.681 13.922 1.00 0.00 H new ATOM 757 N GLY A 45 86.540 9.601 13.480 1.00 0.00 N ATOM 758 CA GLY A 45 87.087 8.299 13.958 1.00 0.00 C ATOM 759 C GLY A 45 86.435 7.110 13.235 1.00 0.00 C ATOM 760 O GLY A 45 86.388 6.023 13.771 1.00 0.00 O ATOM 0 H GLY A 45 86.506 9.707 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.165 8.276 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 86.922 8.207 15.032 1.00 0.00 H new ATOM 764 N TRP A 46 85.931 7.274 12.035 1.00 0.00 N ATOM 765 CA TRP A 46 85.291 6.089 11.370 1.00 0.00 C ATOM 766 C TRP A 46 85.080 6.306 9.875 1.00 0.00 C ATOM 767 O TRP A 46 84.213 5.697 9.281 1.00 0.00 O ATOM 768 CB TRP A 46 83.926 5.828 11.994 1.00 0.00 C ATOM 769 CG TRP A 46 83.464 7.062 12.681 1.00 0.00 C ATOM 770 CD1 TRP A 46 82.780 8.067 12.099 1.00 0.00 C ATOM 771 CD2 TRP A 46 83.679 7.448 14.060 1.00 0.00 C ATOM 772 NE1 TRP A 46 82.560 9.051 13.040 1.00 0.00 N ATOM 773 CE2 TRP A 46 83.090 8.712 14.271 1.00 0.00 C ATOM 774 CE3 TRP A 46 84.320 6.821 15.133 1.00 0.00 C ATOM 775 CZ2 TRP A 46 83.137 9.338 15.515 1.00 0.00 C ATOM 776 CZ3 TRP A 46 84.372 7.444 16.391 1.00 0.00 C ATOM 777 CH2 TRP A 46 83.779 8.702 16.582 1.00 0.00 C ATOM 0 H TRP A 46 85.932 8.143 11.501 1.00 0.00 H new ATOM 0 HA TRP A 46 85.966 5.245 11.512 1.00 0.00 H new ATOM 0 HB2 TRP A 46 83.211 5.535 11.226 1.00 0.00 H new ATOM 0 HB3 TRP A 46 83.988 5.003 12.704 1.00 0.00 H new ATOM 0 HD1 TRP A 46 82.458 8.097 11.069 1.00 0.00 H new ATOM 0 HE1 TRP A 46 82.066 9.923 12.851 1.00 0.00 H new ATOM 0 HE3 TRP A 46 84.778 5.853 14.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 82.681 10.307 15.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 84.870 6.953 17.214 1.00 0.00 H new ATOM 0 HH2 TRP A 46 83.819 9.178 17.551 1.00 0.00 H new ATOM 788 N ASP A 47 85.852 7.143 9.265 1.00 0.00 N ATOM 789 CA ASP A 47 85.679 7.383 7.796 1.00 0.00 C ATOM 790 C ASP A 47 86.298 8.723 7.422 1.00 0.00 C ATOM 791 O ASP A 47 85.606 9.690 7.172 1.00 0.00 O ATOM 792 CB ASP A 47 84.189 7.418 7.443 1.00 0.00 C ATOM 793 CG ASP A 47 83.819 6.155 6.663 1.00 0.00 C ATOM 794 OD1 ASP A 47 84.663 5.282 6.552 1.00 0.00 O ATOM 795 OD2 ASP A 47 82.697 6.083 6.190 1.00 0.00 O ATOM 0 H ASP A 47 86.599 7.678 9.709 1.00 0.00 H new ATOM 0 HA ASP A 47 86.168 6.577 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 47 83.591 7.485 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 47 83.966 8.304 6.848 1.00 0.00 H new ATOM 800 N VAL A 48 87.592 8.795 7.387 1.00 0.00 N ATOM 801 CA VAL A 48 88.240 10.078 7.038 1.00 0.00 C ATOM 802 C VAL A 48 89.599 9.801 6.394 1.00 0.00 C ATOM 803 O VAL A 48 90.635 9.979 7.002 1.00 0.00 O ATOM 804 CB VAL A 48 88.414 10.886 8.317 1.00 0.00 C ATOM 805 CG1 VAL A 48 88.997 12.255 7.985 1.00 0.00 C ATOM 806 CG2 VAL A 48 87.048 11.059 8.989 1.00 0.00 C ATOM 0 H VAL A 48 88.228 8.022 7.585 1.00 0.00 H new ATOM 0 HA VAL A 48 87.629 10.638 6.330 1.00 0.00 H new ATOM 0 HB VAL A 48 89.093 10.363 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 48 89.120 12.830 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 48 89.966 12.130 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 48 88.322 12.785 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 87.164 11.637 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 48 86.374 11.584 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 86.633 10.080 9.227 1.00 0.00 H new ATOM 816 N GLU A 49 89.596 9.357 5.165 1.00 0.00 N ATOM 817 CA GLU A 49 90.880 9.058 4.471 1.00 0.00 C ATOM 818 C GLU A 49 91.530 7.833 5.115 1.00 0.00 C ATOM 819 O GLU A 49 92.521 7.938 5.811 1.00 0.00 O ATOM 820 CB GLU A 49 91.823 10.258 4.586 1.00 0.00 C ATOM 821 CG GLU A 49 91.908 10.972 3.235 1.00 0.00 C ATOM 822 CD GLU A 49 90.817 12.043 3.152 1.00 0.00 C ATOM 823 OE1 GLU A 49 89.693 11.690 2.838 1.00 0.00 O ATOM 824 OE2 GLU A 49 91.126 13.195 3.406 1.00 0.00 O ATOM 0 H GLU A 49 88.756 9.188 4.611 1.00 0.00 H new ATOM 0 HA GLU A 49 90.684 8.857 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 49 91.462 10.946 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 49 92.814 9.927 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.890 11.429 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 49 91.789 10.253 2.424 1.00 0.00 H new ATOM 831 N LYS A 50 90.982 6.671 4.888 1.00 0.00 N ATOM 832 CA LYS A 50 91.569 5.439 5.484 1.00 0.00 C ATOM 833 C LYS A 50 93.085 5.476 5.334 1.00 0.00 C ATOM 834 O LYS A 50 93.825 5.283 6.276 1.00 0.00 O ATOM 835 CB LYS A 50 91.039 4.212 4.747 1.00 0.00 C ATOM 836 CG LYS A 50 89.532 4.072 4.985 1.00 0.00 C ATOM 837 CD LYS A 50 89.277 3.734 6.454 1.00 0.00 C ATOM 838 CE LYS A 50 87.852 3.201 6.621 1.00 0.00 C ATOM 839 NZ LYS A 50 86.973 4.287 7.137 1.00 0.00 N ATOM 0 H LYS A 50 90.152 6.522 4.315 1.00 0.00 H new ATOM 0 HA LYS A 50 91.297 5.388 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 50 91.241 4.303 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 91.556 3.317 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 50 89.024 4.999 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 50 89.123 3.290 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 50 89.996 2.990 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 50 89.418 4.621 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 50 87.475 2.836 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 87.847 2.356 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 86.648 4.045 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 87.506 5.180 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 86.151 4.396 6.509 1.00 0.00 H new ATOM 853 N ASP A 51 93.550 5.721 4.146 1.00 0.00 N ATOM 854 CA ASP A 51 95.013 5.769 3.916 1.00 0.00 C ATOM 855 C ASP A 51 95.375 7.128 3.325 1.00 0.00 C ATOM 856 O ASP A 51 95.614 7.251 2.143 1.00 0.00 O ATOM 857 CB ASP A 51 95.415 4.658 2.944 1.00 0.00 C ATOM 858 CG ASP A 51 96.519 3.800 3.570 1.00 0.00 C ATOM 859 OD1 ASP A 51 96.901 4.083 4.694 1.00 0.00 O ATOM 860 OD2 ASP A 51 96.964 2.872 2.914 1.00 0.00 O ATOM 0 H ASP A 51 92.976 5.891 3.320 1.00 0.00 H new ATOM 0 HA ASP A 51 95.542 5.625 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 51 94.550 4.039 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.764 5.090 2.006 1.00 0.00 H new ATOM 865 N ALA A 52 95.401 8.142 4.151 1.00 0.00 N ATOM 866 CA ALA A 52 95.734 9.519 3.674 1.00 0.00 C ATOM 867 C ALA A 52 96.729 9.460 2.510 1.00 0.00 C ATOM 868 O ALA A 52 96.453 9.971 1.443 1.00 0.00 O ATOM 869 CB ALA A 52 96.333 10.311 4.829 1.00 0.00 C ATOM 0 H ALA A 52 95.203 8.074 5.149 1.00 0.00 H new ATOM 0 HA ALA A 52 94.825 10.007 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.579 11.317 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 95.611 10.368 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 52 97.238 9.815 5.180 1.00 0.00 H new ATOM 875 N PRO A 53 97.846 8.815 2.734 1.00 0.00 N ATOM 876 CA PRO A 53 98.877 8.652 1.696 1.00 0.00 C ATOM 877 C PRO A 53 98.391 7.608 0.693 1.00 0.00 C ATOM 878 O PRO A 53 97.664 6.708 1.046 1.00 0.00 O ATOM 879 CB PRO A 53 100.110 8.186 2.476 1.00 0.00 C ATOM 880 CG PRO A 53 99.581 7.582 3.800 1.00 0.00 C ATOM 881 CD PRO A 53 98.182 8.189 4.030 1.00 0.00 C ATOM 0 HA PRO A 53 99.096 9.553 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 53 100.673 7.445 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 100.785 9.019 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 53 99.527 6.495 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 53 100.248 7.820 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 53 97.455 7.424 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 53 98.193 8.922 4.836 1.00 0.00 H new ATOM 889 N LEU A 54 98.754 7.769 -0.554 1.00 0.00 N ATOM 890 CA LEU A 54 98.281 6.848 -1.641 1.00 0.00 C ATOM 891 C LEU A 54 96.950 7.413 -2.093 1.00 0.00 C ATOM 892 O LEU A 54 96.770 7.838 -3.216 1.00 0.00 O ATOM 893 CB LEU A 54 98.041 5.408 -1.160 1.00 0.00 C ATOM 894 CG LEU A 54 99.328 4.720 -0.683 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.394 5.730 -0.248 1.00 0.00 C ATOM 896 CD2 LEU A 54 98.966 3.830 0.500 1.00 0.00 C ATOM 0 H LEU A 54 99.371 8.515 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 54 99.041 6.796 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.316 5.417 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.602 4.827 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 54 99.746 4.144 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.286 5.198 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.647 6.377 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.009 6.335 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.861 3.326 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.544 4.440 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.233 3.087 0.185 1.00 0.00 H new ATOM 908 N PHE A 55 96.029 7.460 -1.177 1.00 0.00 N ATOM 909 CA PHE A 55 94.701 8.039 -1.448 1.00 0.00 C ATOM 910 C PHE A 55 94.898 9.299 -2.284 1.00 0.00 C ATOM 911 O PHE A 55 94.079 9.664 -3.098 1.00 0.00 O ATOM 912 CB PHE A 55 94.106 8.426 -0.102 1.00 0.00 C ATOM 913 CG PHE A 55 93.096 7.406 0.346 1.00 0.00 C ATOM 914 CD1 PHE A 55 93.522 6.144 0.769 1.00 0.00 C ATOM 915 CD2 PHE A 55 91.736 7.729 0.357 1.00 0.00 C ATOM 916 CE1 PHE A 55 92.587 5.200 1.203 1.00 0.00 C ATOM 917 CE2 PHE A 55 90.799 6.788 0.794 1.00 0.00 C ATOM 918 CZ PHE A 55 91.224 5.522 1.217 1.00 0.00 C ATOM 0 H PHE A 55 96.151 7.110 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 55 94.052 7.341 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.899 8.510 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.633 9.405 -0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.574 5.898 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.409 8.705 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.915 4.223 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.748 7.037 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.501 4.794 1.554 1.00 0.00 H new ATOM 928 N ARG A 56 96.006 9.957 -2.077 1.00 0.00 N ATOM 929 CA ARG A 56 96.306 11.191 -2.845 1.00 0.00 C ATOM 930 C ARG A 56 96.564 10.802 -4.300 1.00 0.00 C ATOM 931 O ARG A 56 95.966 11.333 -5.215 1.00 0.00 O ATOM 932 CB ARG A 56 97.555 11.852 -2.255 1.00 0.00 C ATOM 933 CG ARG A 56 98.050 12.951 -3.199 1.00 0.00 C ATOM 934 CD ARG A 56 98.961 12.337 -4.263 1.00 0.00 C ATOM 935 NE ARG A 56 100.051 13.299 -4.596 1.00 0.00 N ATOM 936 CZ ARG A 56 101.073 13.437 -3.794 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.145 12.736 -2.695 1.00 0.00 N ATOM 938 NH2 ARG A 56 102.021 14.285 -4.088 1.00 0.00 N ATOM 0 H ARG A 56 96.721 9.687 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 56 95.471 11.890 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.327 12.275 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.337 11.107 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.203 13.447 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.591 13.712 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.385 11.401 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 56 98.385 12.099 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 56 99.998 13.851 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.402 12.078 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.944 12.846 -2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 56 101.963 14.839 -4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.820 14.394 -3.463 1.00 0.00 H new ATOM 952 N ASN A 57 97.453 9.870 -4.514 1.00 0.00 N ATOM 953 CA ASN A 57 97.760 9.429 -5.905 1.00 0.00 C ATOM 954 C ASN A 57 96.456 9.202 -6.691 1.00 0.00 C ATOM 955 O ASN A 57 96.446 9.232 -7.901 1.00 0.00 O ATOM 956 CB ASN A 57 98.589 8.132 -5.856 1.00 0.00 C ATOM 957 CG ASN A 57 97.674 6.902 -5.833 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.025 6.593 -6.812 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.604 6.183 -4.748 1.00 0.00 N ATOM 0 H ASN A 57 97.981 9.394 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 57 98.335 10.204 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.249 8.084 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.225 8.135 -4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.003 5.359 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.150 6.444 -3.927 1.00 0.00 H new ATOM 966 N TRP A 58 95.359 8.970 -6.018 1.00 0.00 N ATOM 967 CA TRP A 58 94.074 8.737 -6.748 1.00 0.00 C ATOM 968 C TRP A 58 93.947 9.723 -7.913 1.00 0.00 C ATOM 969 O TRP A 58 94.183 9.385 -9.056 1.00 0.00 O ATOM 970 CB TRP A 58 92.892 8.939 -5.794 1.00 0.00 C ATOM 971 CG TRP A 58 92.397 7.613 -5.312 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.148 7.371 -4.845 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.111 6.347 -5.237 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.056 6.038 -4.487 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.238 5.366 -4.711 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.418 5.958 -5.571 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.647 4.048 -4.523 1.00 0.00 C ATOM 978 CZ3 TRP A 58 94.834 4.630 -5.383 1.00 0.00 C ATOM 979 CH2 TRP A 58 93.950 3.678 -4.859 1.00 0.00 C ATOM 0 H TRP A 58 95.295 8.932 -5.001 1.00 0.00 H new ATOM 0 HA TRP A 58 94.069 7.717 -7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.198 9.553 -4.947 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.090 9.474 -6.303 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.355 8.099 -4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.216 5.605 -4.104 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.108 6.684 -5.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 91.961 3.318 -4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 95.841 4.341 -5.644 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.277 2.659 -4.715 1.00 0.00 H new ATOM 990 N ALA A 59 93.566 10.936 -7.628 1.00 0.00 N ATOM 991 CA ALA A 59 93.402 11.957 -8.705 1.00 0.00 C ATOM 992 C ALA A 59 94.517 11.837 -9.752 1.00 0.00 C ATOM 993 O ALA A 59 94.279 11.983 -10.935 1.00 0.00 O ATOM 994 CB ALA A 59 93.442 13.353 -8.082 1.00 0.00 C ATOM 0 H ALA A 59 93.359 11.269 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 59 92.445 11.790 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.323 14.104 -8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.633 13.452 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.398 13.500 -7.580 1.00 0.00 H new ATOM 1000 N ILE A 60 95.731 11.591 -9.340 1.00 0.00 N ATOM 1001 CA ILE A 60 96.838 11.487 -10.337 1.00 0.00 C ATOM 1002 C ILE A 60 96.801 10.113 -11.022 1.00 0.00 C ATOM 1003 O ILE A 60 96.317 9.984 -12.129 1.00 0.00 O ATOM 1004 CB ILE A 60 98.194 11.701 -9.646 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.008 12.571 -8.396 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.145 12.408 -10.611 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.127 13.776 -8.734 1.00 0.00 C ATOM 0 H ILE A 60 96.004 11.458 -8.366 1.00 0.00 H new ATOM 0 HA ILE A 60 96.706 12.260 -11.094 1.00 0.00 H new ATOM 0 HB ILE A 60 98.608 10.735 -9.357 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.550 11.986 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.977 12.908 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.108 12.562 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.282 11.795 -11.502 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.724 13.372 -10.896 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.996 14.392 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.602 14.366 -9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.154 13.429 -9.081 1.00 0.00 H new ATOM 1019 N HIS A 61 97.308 9.090 -10.382 1.00 0.00 N ATOM 1020 CA HIS A 61 97.301 7.732 -11.002 1.00 0.00 C ATOM 1021 C HIS A 61 95.977 7.493 -11.731 1.00 0.00 C ATOM 1022 O HIS A 61 95.944 7.323 -12.934 1.00 0.00 O ATOM 1023 CB HIS A 61 97.470 6.674 -9.911 1.00 0.00 C ATOM 1024 CG HIS A 61 97.300 5.309 -10.516 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.374 4.575 -10.991 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.187 4.535 -10.739 1.00 0.00 C ATOM 1027 CE1 HIS A 61 97.891 3.417 -11.474 1.00 0.00 C ATOM 1028 NE2 HIS A 61 96.563 3.340 -11.345 1.00 0.00 N ATOM 0 H HIS A 61 97.728 9.138 -9.454 1.00 0.00 H new ATOM 0 HA HIS A 61 98.122 7.665 -11.716 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.455 6.762 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.735 6.829 -9.121 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.175 4.812 -10.483 1.00 0.00 H new ATOM 0 HE1 HIS A 61 98.502 2.643 -11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 61 95.956 2.571 -11.629 1.00 0.00 H new ATOM 1036 N THR A 62 94.884 7.474 -11.017 1.00 0.00 N ATOM 1037 CA THR A 62 93.569 7.240 -11.678 1.00 0.00 C ATOM 1038 C THR A 62 93.451 8.135 -12.915 1.00 0.00 C ATOM 1039 O THR A 62 92.993 7.710 -13.957 1.00 0.00 O ATOM 1040 CB THR A 62 92.437 7.572 -10.703 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.396 8.976 -10.488 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.673 6.853 -9.372 1.00 0.00 C ATOM 0 H THR A 62 94.845 7.610 -10.007 1.00 0.00 H new ATOM 0 HA THR A 62 93.497 6.194 -11.976 1.00 0.00 H new ATOM 0 HB THR A 62 91.488 7.241 -11.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.255 9.276 -10.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.865 7.092 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.700 5.776 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.622 7.178 -8.946 1.00 0.00 H new ATOM 1050 N GLY A 63 93.859 9.371 -12.807 1.00 0.00 N ATOM 1051 CA GLY A 63 93.767 10.293 -13.977 1.00 0.00 C ATOM 1052 C GLY A 63 92.431 11.036 -13.935 1.00 0.00 C ATOM 1053 O GLY A 63 92.006 11.627 -14.909 1.00 0.00 O ATOM 0 H GLY A 63 94.252 9.782 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.592 11.005 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.853 9.729 -14.906 1.00 0.00 H new ATOM 1057 N LYS A 64 91.765 11.011 -12.814 1.00 0.00 N ATOM 1058 CA LYS A 64 90.456 11.714 -12.706 1.00 0.00 C ATOM 1059 C LYS A 64 90.675 13.134 -12.184 1.00 0.00 C ATOM 1060 O LYS A 64 89.894 13.646 -11.408 1.00 0.00 O ATOM 1061 CB LYS A 64 89.550 10.952 -11.735 1.00 0.00 C ATOM 1062 CG LYS A 64 88.458 10.224 -12.519 1.00 0.00 C ATOM 1063 CD LYS A 64 89.022 8.924 -13.097 1.00 0.00 C ATOM 1064 CE LYS A 64 88.784 7.779 -12.111 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.551 7.037 -12.499 1.00 0.00 N ATOM 0 H LYS A 64 92.071 10.533 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 64 89.988 11.758 -13.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.137 10.237 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.101 11.643 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 64 87.611 10.007 -11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 64 88.087 10.860 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.545 8.701 -14.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 90.089 9.034 -13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.641 7.105 -12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.682 8.171 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.389 6.258 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.737 7.684 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 87.666 6.650 -13.458 1.00 0.00 H new ATOM 1079 N HIS A 65 91.731 13.778 -12.600 1.00 0.00 N ATOM 1080 CA HIS A 65 91.988 15.164 -12.118 1.00 0.00 C ATOM 1081 C HIS A 65 93.348 15.646 -12.630 1.00 0.00 C ATOM 1082 O HIS A 65 94.159 14.875 -13.103 1.00 0.00 O ATOM 1083 CB HIS A 65 91.974 15.177 -10.582 1.00 0.00 C ATOM 1084 CG HIS A 65 92.703 16.392 -10.066 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.133 17.655 -10.063 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.966 16.550 -9.547 1.00 0.00 C ATOM 1087 CE1 HIS A 65 93.044 18.509 -9.558 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.177 17.887 -9.226 1.00 0.00 N ATOM 0 H HIS A 65 92.424 13.406 -13.250 1.00 0.00 H new ATOM 0 HA HIS A 65 91.212 15.831 -12.494 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.946 15.180 -10.220 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.444 14.271 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.685 15.756 -9.409 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.878 19.569 -9.436 1.00 0.00 H new ATOM 0 HE2 HIS A 65 95.017 18.303 -8.823 1.00 0.00 H new ATOM 1096 N GLN A 66 93.598 16.921 -12.522 1.00 0.00 N ATOM 1097 CA GLN A 66 94.898 17.479 -12.981 1.00 0.00 C ATOM 1098 C GLN A 66 95.282 18.640 -12.057 1.00 0.00 C ATOM 1099 O GLN A 66 94.448 19.457 -11.722 1.00 0.00 O ATOM 1100 CB GLN A 66 94.757 17.989 -14.416 1.00 0.00 C ATOM 1101 CG GLN A 66 93.820 17.067 -15.197 1.00 0.00 C ATOM 1102 CD GLN A 66 93.535 17.675 -16.572 1.00 0.00 C ATOM 1103 OE1 GLN A 66 92.644 18.488 -16.715 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.257 17.311 -17.595 1.00 0.00 N ATOM 0 H GLN A 66 92.950 17.606 -12.132 1.00 0.00 H new ATOM 0 HA GLN A 66 95.668 16.708 -12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.365 19.006 -14.415 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.734 18.024 -14.898 1.00 0.00 H new ATOM 0 HG2 GLN A 66 94.273 16.082 -15.310 1.00 0.00 H new ATOM 0 HG3 GLN A 66 92.888 16.929 -14.649 1.00 0.00 H new ATOM 0 HE21 GLN A 66 95.005 16.628 -17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.074 17.709 -18.516 1.00 0.00 H new ATOM 1113 N PRO A 67 96.528 18.676 -11.660 1.00 0.00 N ATOM 1114 CA PRO A 67 97.039 19.725 -10.761 1.00 0.00 C ATOM 1115 C PRO A 67 97.296 21.024 -11.531 1.00 0.00 C ATOM 1116 O PRO A 67 98.109 21.073 -12.433 1.00 0.00 O ATOM 1117 CB PRO A 67 98.350 19.136 -10.235 1.00 0.00 C ATOM 1118 CG PRO A 67 98.797 18.073 -11.269 1.00 0.00 C ATOM 1119 CD PRO A 67 97.542 17.682 -12.069 1.00 0.00 C ATOM 0 HA PRO A 67 96.339 19.982 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.107 19.912 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.207 18.686 -9.252 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.567 18.474 -11.928 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.225 17.203 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.726 17.720 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.221 16.667 -11.836 1.00 0.00 H new ATOM 1127 N GLY A 68 96.614 22.081 -11.175 1.00 0.00 N ATOM 1128 CA GLY A 68 96.827 23.378 -11.879 1.00 0.00 C ATOM 1129 C GLY A 68 95.799 23.543 -13.001 1.00 0.00 C ATOM 1130 O GLY A 68 95.518 24.641 -13.438 1.00 0.00 O ATOM 0 H GLY A 68 95.920 22.101 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.740 24.203 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.835 23.416 -12.291 1.00 0.00 H new ATOM 1134 N ILE A 69 95.236 22.466 -13.475 1.00 0.00 N ATOM 1135 CA ILE A 69 94.232 22.579 -14.572 1.00 0.00 C ATOM 1136 C ILE A 69 92.835 22.267 -14.031 1.00 0.00 C ATOM 1137 O ILE A 69 91.854 22.348 -14.743 1.00 0.00 O ATOM 1138 CB ILE A 69 94.577 21.589 -15.687 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.841 22.055 -16.414 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.415 21.518 -16.681 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.161 21.086 -17.555 1.00 0.00 C ATOM 0 H ILE A 69 95.426 21.517 -13.153 1.00 0.00 H new ATOM 0 HA ILE A 69 94.248 23.595 -14.967 1.00 0.00 H new ATOM 0 HB ILE A 69 94.750 20.603 -15.256 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.697 23.061 -16.807 1.00 0.00 H new ATOM 0 HG13 ILE A 69 96.678 22.102 -15.717 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.659 20.813 -17.476 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.514 21.185 -16.165 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.243 22.505 -17.111 1.00 0.00 H new ATOM 0 HD11 ILE A 69 97.061 21.418 -18.073 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.323 20.087 -17.150 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.327 21.062 -18.257 1.00 0.00 H new ATOM 1153 N ASP A 70 92.734 21.909 -12.781 1.00 0.00 N ATOM 1154 CA ASP A 70 91.394 21.593 -12.208 1.00 0.00 C ATOM 1155 C ASP A 70 91.445 21.720 -10.685 1.00 0.00 C ATOM 1156 O ASP A 70 92.500 21.693 -10.083 1.00 0.00 O ATOM 1157 CB ASP A 70 91.000 20.164 -12.592 1.00 0.00 C ATOM 1158 CG ASP A 70 90.514 20.141 -14.042 1.00 0.00 C ATOM 1159 OD1 ASP A 70 89.640 20.928 -14.366 1.00 0.00 O ATOM 1160 OD2 ASP A 70 91.024 19.337 -14.804 1.00 0.00 O ATOM 0 H ASP A 70 93.517 21.822 -12.133 1.00 0.00 H new ATOM 0 HA ASP A 70 90.656 22.291 -12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.853 19.496 -12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.215 19.801 -11.928 1.00 0.00 H new ATOM 1165 N LYS A 71 90.309 21.861 -10.056 1.00 0.00 N ATOM 1166 CA LYS A 71 90.289 21.992 -8.574 1.00 0.00 C ATOM 1167 C LYS A 71 90.499 20.612 -7.936 1.00 0.00 C ATOM 1168 O LYS A 71 90.007 19.621 -8.438 1.00 0.00 O ATOM 1169 CB LYS A 71 88.939 22.562 -8.135 1.00 0.00 C ATOM 1170 CG LYS A 71 88.755 23.957 -8.735 1.00 0.00 C ATOM 1171 CD LYS A 71 87.663 23.915 -9.808 1.00 0.00 C ATOM 1172 CE LYS A 71 87.993 24.922 -10.912 1.00 0.00 C ATOM 1173 NZ LYS A 71 87.087 24.703 -12.077 1.00 0.00 N ATOM 0 H LYS A 71 89.394 21.891 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 71 91.087 22.662 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.132 21.905 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.890 22.613 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.484 24.667 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.693 24.304 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 71 87.588 22.911 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.695 24.149 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 87.879 25.939 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 71 89.032 24.811 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.313 25.388 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.216 23.737 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.099 24.831 -11.777 1.00 0.00 H new ATOM 1187 N PRO A 72 91.229 20.590 -6.849 1.00 0.00 N ATOM 1188 CA PRO A 72 91.529 19.345 -6.120 1.00 0.00 C ATOM 1189 C PRO A 72 90.328 18.907 -5.276 1.00 0.00 C ATOM 1190 O PRO A 72 89.977 19.544 -4.301 1.00 0.00 O ATOM 1191 CB PRO A 72 92.712 19.728 -5.226 1.00 0.00 C ATOM 1192 CG PRO A 72 92.660 21.266 -5.068 1.00 0.00 C ATOM 1193 CD PRO A 72 91.822 21.801 -6.245 1.00 0.00 C ATOM 0 HA PRO A 72 91.752 18.508 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.641 19.235 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.655 19.415 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.210 21.543 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.664 21.691 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.052 22.493 -5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.441 22.341 -6.961 1.00 0.00 H new ATOM 1201 N ASP A 73 89.702 17.821 -5.636 1.00 0.00 N ATOM 1202 CA ASP A 73 88.534 17.334 -4.849 1.00 0.00 C ATOM 1203 C ASP A 73 88.958 16.105 -4.036 1.00 0.00 C ATOM 1204 O ASP A 73 89.118 15.033 -4.584 1.00 0.00 O ATOM 1205 CB ASP A 73 87.401 16.945 -5.802 1.00 0.00 C ATOM 1206 CG ASP A 73 86.905 18.187 -6.544 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.925 19.254 -5.953 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.513 18.050 -7.692 1.00 0.00 O ATOM 0 H ASP A 73 89.949 17.248 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 73 88.188 18.121 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.752 16.199 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.582 16.491 -5.244 1.00 0.00 H new ATOM 1213 N PRO A 74 89.138 16.297 -2.753 1.00 0.00 N ATOM 1214 CA PRO A 74 89.557 15.216 -1.842 1.00 0.00 C ATOM 1215 C PRO A 74 88.376 14.304 -1.494 1.00 0.00 C ATOM 1216 O PRO A 74 88.484 13.427 -0.660 1.00 0.00 O ATOM 1217 CB PRO A 74 90.051 15.963 -0.602 1.00 0.00 C ATOM 1218 CG PRO A 74 89.376 17.356 -0.634 1.00 0.00 C ATOM 1219 CD PRO A 74 88.944 17.603 -2.091 1.00 0.00 C ATOM 0 HA PRO A 74 90.316 14.566 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.786 15.424 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.137 16.057 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.516 17.385 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.067 18.129 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.905 17.928 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.548 18.380 -2.559 1.00 0.00 H new ATOM 1227 N LYS A 75 87.248 14.499 -2.121 1.00 0.00 N ATOM 1228 CA LYS A 75 86.072 13.635 -1.816 1.00 0.00 C ATOM 1229 C LYS A 75 86.085 12.413 -2.735 1.00 0.00 C ATOM 1230 O LYS A 75 85.906 11.293 -2.298 1.00 0.00 O ATOM 1231 CB LYS A 75 84.780 14.424 -2.040 1.00 0.00 C ATOM 1232 CG LYS A 75 84.034 14.571 -0.712 1.00 0.00 C ATOM 1233 CD LYS A 75 82.627 13.982 -0.845 1.00 0.00 C ATOM 1234 CE LYS A 75 81.700 15.012 -1.493 1.00 0.00 C ATOM 1235 NZ LYS A 75 80.410 15.058 -0.748 1.00 0.00 N ATOM 0 H LYS A 75 87.090 15.216 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 75 86.123 13.312 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.009 15.407 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.151 13.912 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.579 14.060 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.974 15.623 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.657 13.074 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.245 13.700 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 75 82.171 15.995 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.521 14.750 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 79.780 15.758 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 79.960 14.121 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 80.589 15.327 0.240 1.00 0.00 H new ATOM 1249 N THR A 76 86.295 12.620 -4.006 1.00 0.00 N ATOM 1250 CA THR A 76 86.318 11.472 -4.953 1.00 0.00 C ATOM 1251 C THR A 76 87.585 10.646 -4.724 1.00 0.00 C ATOM 1252 O THR A 76 87.660 9.492 -5.098 1.00 0.00 O ATOM 1253 CB THR A 76 86.304 11.997 -6.390 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.468 13.144 -6.467 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.773 10.909 -7.326 1.00 0.00 C ATOM 0 H THR A 76 86.452 13.535 -4.429 1.00 0.00 H new ATOM 0 HA THR A 76 85.442 10.846 -4.786 1.00 0.00 H new ATOM 0 HB THR A 76 87.317 12.267 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.460 13.482 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 76 85.763 11.283 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 76 86.417 10.032 -7.266 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.760 10.636 -7.029 1.00 0.00 H new ATOM 1263 N TRP A 77 88.580 11.225 -4.111 1.00 0.00 N ATOM 1264 CA TRP A 77 89.841 10.470 -3.861 1.00 0.00 C ATOM 1265 C TRP A 77 89.626 9.474 -2.719 1.00 0.00 C ATOM 1266 O TRP A 77 90.434 8.598 -2.486 1.00 0.00 O ATOM 1267 CB TRP A 77 90.955 11.443 -3.471 1.00 0.00 C ATOM 1268 CG TRP A 77 91.073 12.516 -4.505 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.541 12.462 -5.747 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.757 13.799 -4.408 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.854 13.632 -6.419 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.603 14.486 -5.634 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.488 14.427 -3.382 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.155 15.751 -5.838 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.046 15.700 -3.585 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.879 16.361 -4.809 1.00 0.00 C ATOM 0 H TRP A 77 88.575 12.187 -3.772 1.00 0.00 H new ATOM 0 HA TRP A 77 90.122 9.935 -4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.741 11.885 -2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.901 10.909 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.966 11.641 -6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.567 13.837 -7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.621 13.927 -2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.024 16.255 -6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.607 16.172 -2.792 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.309 17.341 -4.958 1.00 0.00 H new ATOM 1287 N LYS A 78 88.544 9.606 -2.001 1.00 0.00 N ATOM 1288 CA LYS A 78 88.283 8.672 -0.869 1.00 0.00 C ATOM 1289 C LYS A 78 87.123 7.741 -1.227 1.00 0.00 C ATOM 1290 O LYS A 78 86.797 6.830 -0.493 1.00 0.00 O ATOM 1291 CB LYS A 78 87.918 9.485 0.377 1.00 0.00 C ATOM 1292 CG LYS A 78 87.849 8.560 1.596 1.00 0.00 C ATOM 1293 CD LYS A 78 86.702 9.007 2.505 1.00 0.00 C ATOM 1294 CE LYS A 78 86.545 8.014 3.658 1.00 0.00 C ATOM 1295 NZ LYS A 78 85.103 7.678 3.831 1.00 0.00 N ATOM 0 H LYS A 78 87.830 10.319 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 78 89.175 8.076 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.660 10.266 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.959 9.982 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.695 7.529 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.792 8.587 2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.902 10.005 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 78 85.775 9.067 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.118 7.110 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 78 86.943 8.443 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 85.016 6.775 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 84.634 8.430 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 84.652 7.594 2.898 1.00 0.00 H new ATOM 1309 N ALA A 79 86.493 7.962 -2.347 1.00 0.00 N ATOM 1310 CA ALA A 79 85.353 7.089 -2.742 1.00 0.00 C ATOM 1311 C ALA A 79 85.863 5.908 -3.570 1.00 0.00 C ATOM 1312 O ALA A 79 85.337 4.814 -3.497 1.00 0.00 O ATOM 1313 CB ALA A 79 84.358 7.900 -3.571 1.00 0.00 C ATOM 0 H ALA A 79 86.718 8.708 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 79 84.862 6.711 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.522 7.263 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.988 8.737 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.853 8.279 -4.465 1.00 0.00 H new ATOM 1319 N ASN A 80 86.878 6.118 -4.365 1.00 0.00 N ATOM 1320 CA ASN A 80 87.411 5.005 -5.203 1.00 0.00 C ATOM 1321 C ASN A 80 88.425 4.187 -4.400 1.00 0.00 C ATOM 1322 O ASN A 80 89.091 3.320 -4.931 1.00 0.00 O ATOM 1323 CB ASN A 80 88.095 5.583 -6.444 1.00 0.00 C ATOM 1324 CG ASN A 80 87.330 6.819 -6.922 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.924 7.783 -7.362 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.027 6.831 -6.853 1.00 0.00 N ATOM 0 H ASN A 80 87.360 7.011 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 80 86.587 4.359 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.127 5.848 -6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.128 4.834 -7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 80 85.507 7.650 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 80 85.528 6.022 -6.484 1.00 0.00 H new ATOM 1333 N PHE A 81 88.555 4.451 -3.129 1.00 0.00 N ATOM 1334 CA PHE A 81 89.534 3.679 -2.314 1.00 0.00 C ATOM 1335 C PHE A 81 88.797 2.626 -1.481 1.00 0.00 C ATOM 1336 O PHE A 81 89.193 1.479 -1.428 1.00 0.00 O ATOM 1337 CB PHE A 81 90.290 4.625 -1.382 1.00 0.00 C ATOM 1338 CG PHE A 81 91.720 4.156 -1.254 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.997 2.937 -0.628 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.765 4.937 -1.764 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.320 2.495 -0.509 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.089 4.496 -1.644 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.366 3.275 -1.017 1.00 0.00 C ATOM 0 H PHE A 81 88.029 5.163 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 81 90.241 3.185 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.262 5.641 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.813 4.648 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.190 2.336 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.550 5.878 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.534 1.553 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 81 94.896 5.098 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.387 2.935 -0.925 1.00 0.00 H new ATOM 1353 N ARG A 82 87.729 3.003 -0.834 1.00 0.00 N ATOM 1354 CA ARG A 82 86.973 2.015 -0.013 1.00 0.00 C ATOM 1355 C ARG A 82 86.520 0.867 -0.919 1.00 0.00 C ATOM 1356 O ARG A 82 86.445 -0.274 -0.507 1.00 0.00 O ATOM 1357 CB ARG A 82 85.749 2.700 0.608 1.00 0.00 C ATOM 1358 CG ARG A 82 84.733 1.648 1.066 1.00 0.00 C ATOM 1359 CD ARG A 82 83.486 1.722 0.182 1.00 0.00 C ATOM 1360 NE ARG A 82 82.621 2.848 0.635 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.677 3.306 -0.143 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.486 2.779 -1.323 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.921 4.293 0.258 1.00 0.00 N ATOM 0 H ARG A 82 87.348 3.949 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 82 87.607 1.626 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.056 3.313 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.289 3.369 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.174 0.653 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.463 1.818 2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.774 1.867 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 82 82.935 0.783 0.233 1.00 0.00 H new ATOM 0 HE ARG A 82 82.767 3.262 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.075 2.008 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.748 3.138 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 82 81.068 4.706 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 82 80.184 4.650 -0.350 1.00 0.00 H new ATOM 1377 N CYS A 83 86.218 1.164 -2.156 1.00 0.00 N ATOM 1378 CA CYS A 83 85.770 0.095 -3.092 1.00 0.00 C ATOM 1379 C CYS A 83 86.912 -0.898 -3.312 1.00 0.00 C ATOM 1380 O CYS A 83 86.700 -2.092 -3.392 1.00 0.00 O ATOM 1381 CB CYS A 83 85.371 0.718 -4.432 1.00 0.00 C ATOM 1382 SG CYS A 83 86.669 1.850 -4.986 1.00 0.00 S ATOM 0 H CYS A 83 86.263 2.101 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 83 84.911 -0.424 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 83 85.214 -0.064 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 83 84.427 1.253 -4.329 1.00 0.00 H new ATOM 0 HG CYS A 83 86.329 2.376 -6.125 1.00 0.00 H new ATOM 1388 N ALA A 84 88.122 -0.417 -3.406 1.00 0.00 N ATOM 1389 CA ALA A 84 89.269 -1.343 -3.614 1.00 0.00 C ATOM 1390 C ALA A 84 89.221 -2.437 -2.547 1.00 0.00 C ATOM 1391 O ALA A 84 89.766 -3.509 -2.713 1.00 0.00 O ATOM 1392 CB ALA A 84 90.583 -0.564 -3.504 1.00 0.00 C ATOM 0 H ALA A 84 88.364 0.572 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 84 89.208 -1.795 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.422 -1.243 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.607 0.218 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.657 -0.113 -2.515 1.00 0.00 H new ATOM 1398 N MET A 85 88.562 -2.175 -1.453 1.00 0.00 N ATOM 1399 CA MET A 85 88.459 -3.198 -0.376 1.00 0.00 C ATOM 1400 C MET A 85 87.207 -4.042 -0.610 1.00 0.00 C ATOM 1401 O MET A 85 87.171 -5.219 -0.315 1.00 0.00 O ATOM 1402 CB MET A 85 88.370 -2.496 0.978 1.00 0.00 C ATOM 1403 CG MET A 85 89.300 -1.282 0.972 1.00 0.00 C ATOM 1404 SD MET A 85 90.939 -1.781 0.380 1.00 0.00 S ATOM 1405 CE MET A 85 91.453 -0.169 -0.248 1.00 0.00 C ATOM 0 H MET A 85 88.089 -1.293 -1.258 1.00 0.00 H new ATOM 0 HA MET A 85 89.337 -3.843 -0.387 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.344 -2.183 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.652 -3.182 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.892 -0.501 0.331 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.376 -0.863 1.976 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.063 -0.304 -1.141 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.572 0.422 -0.497 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.035 0.350 0.514 1.00 0.00 H new ATOM 1415 N ASN A 86 86.181 -3.447 -1.145 1.00 0.00 N ATOM 1416 CA ASN A 86 84.931 -4.212 -1.407 1.00 0.00 C ATOM 1417 C ASN A 86 85.001 -4.822 -2.807 1.00 0.00 C ATOM 1418 O ASN A 86 83.995 -5.154 -3.402 1.00 0.00 O ATOM 1419 CB ASN A 86 83.726 -3.272 -1.318 1.00 0.00 C ATOM 1420 CG ASN A 86 83.824 -2.432 -0.043 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.853 -2.408 0.605 1.00 0.00 O ATOM 1422 ND2 ASN A 86 82.791 -1.737 0.348 1.00 0.00 N ATOM 0 H ASN A 86 86.153 -2.463 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 86 84.824 -5.004 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.694 -2.622 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 86 82.801 -3.849 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.847 -1.174 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 86 81.928 -1.757 -0.195 1.00 0.00 H new ATOM 1429 N SER A 87 86.184 -4.973 -3.340 1.00 0.00 N ATOM 1430 CA SER A 87 86.313 -5.558 -4.703 1.00 0.00 C ATOM 1431 C SER A 87 87.202 -6.793 -4.654 1.00 0.00 C ATOM 1432 O SER A 87 87.350 -7.404 -3.621 1.00 0.00 O ATOM 1433 CB SER A 87 86.922 -4.525 -5.650 1.00 0.00 C ATOM 1434 OG SER A 87 86.521 -4.815 -6.982 1.00 0.00 O ATOM 0 H SER A 87 87.063 -4.717 -2.891 1.00 0.00 H new ATOM 0 HA SER A 87 85.325 -5.842 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 87 86.598 -3.523 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.009 -4.541 -5.574 1.00 0.00 H new ATOM 0 HG SER A 87 86.909 -4.153 -7.592 1.00 0.00 H new ATOM 1440 N LEU A 88 87.788 -7.145 -5.774 1.00 0.00 N ATOM 1441 CA LEU A 88 88.685 -8.345 -5.852 1.00 0.00 C ATOM 1442 C LEU A 88 88.226 -9.432 -4.860 1.00 0.00 C ATOM 1443 O LEU A 88 88.431 -9.317 -3.672 1.00 0.00 O ATOM 1444 CB LEU A 88 90.131 -7.935 -5.526 1.00 0.00 C ATOM 1445 CG LEU A 88 90.247 -6.407 -5.380 1.00 0.00 C ATOM 1446 CD1 LEU A 88 89.903 -5.982 -3.945 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.678 -5.980 -5.707 1.00 0.00 C ATOM 0 H LEU A 88 87.681 -6.642 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 88 88.635 -8.748 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.451 -8.418 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.798 -8.281 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 88 89.549 -5.928 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 88 89.989 -4.899 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 88 88.883 -6.286 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.593 -6.459 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.767 -4.898 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.369 -6.467 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 88 91.919 -6.270 -6.730 1.00 0.00 H new ATOM 1459 N PRO A 89 87.621 -10.472 -5.380 1.00 0.00 N ATOM 1460 CA PRO A 89 87.115 -11.586 -4.552 1.00 0.00 C ATOM 1461 C PRO A 89 88.255 -12.443 -3.979 1.00 0.00 C ATOM 1462 O PRO A 89 88.024 -13.509 -3.441 1.00 0.00 O ATOM 1463 CB PRO A 89 86.241 -12.388 -5.522 1.00 0.00 C ATOM 1464 CG PRO A 89 86.722 -12.024 -6.945 1.00 0.00 C ATOM 1465 CD PRO A 89 87.403 -10.648 -6.831 1.00 0.00 C ATOM 0 HA PRO A 89 86.567 -11.237 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.340 -13.458 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.188 -12.139 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.418 -12.772 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 89 85.884 -11.987 -7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.344 -10.622 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.773 -9.857 -7.238 1.00 0.00 H new ATOM 1473 N ASP A 90 89.476 -11.987 -4.066 1.00 0.00 N ATOM 1474 CA ASP A 90 90.605 -12.777 -3.505 1.00 0.00 C ATOM 1475 C ASP A 90 91.120 -12.090 -2.234 1.00 0.00 C ATOM 1476 O ASP A 90 92.028 -12.569 -1.586 1.00 0.00 O ATOM 1477 CB ASP A 90 91.734 -12.857 -4.534 1.00 0.00 C ATOM 1478 CG ASP A 90 92.226 -11.446 -4.863 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.525 -10.714 -3.935 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.293 -11.122 -6.037 1.00 0.00 O ATOM 0 H ASP A 90 89.738 -11.102 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 90 90.263 -13.784 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.555 -13.458 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.381 -13.351 -5.439 1.00 0.00 H new ATOM 1485 N ILE A 91 90.552 -10.966 -1.876 1.00 0.00 N ATOM 1486 CA ILE A 91 91.018 -10.251 -0.652 1.00 0.00 C ATOM 1487 C ILE A 91 90.114 -10.630 0.525 1.00 0.00 C ATOM 1488 O ILE A 91 88.917 -10.783 0.377 1.00 0.00 O ATOM 1489 CB ILE A 91 91.010 -8.710 -0.887 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.025 -8.000 0.066 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.612 -8.383 -2.330 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.681 -6.604 -0.469 1.00 0.00 C ATOM 0 H ILE A 91 89.787 -10.514 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 91 92.042 -10.547 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 91 92.021 -8.353 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.116 -8.592 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.465 -7.918 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.613 -7.302 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.325 -8.840 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.614 -8.774 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.986 -6.114 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.591 -6.010 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.221 -6.695 -1.453 1.00 0.00 H new ATOM 1504 N GLU A 92 90.672 -10.770 1.695 1.00 0.00 N ATOM 1505 CA GLU A 92 89.835 -11.123 2.876 1.00 0.00 C ATOM 1506 C GLU A 92 90.081 -10.115 3.996 1.00 0.00 C ATOM 1507 O GLU A 92 91.008 -10.240 4.771 1.00 0.00 O ATOM 1508 CB GLU A 92 90.191 -12.529 3.360 1.00 0.00 C ATOM 1509 CG GLU A 92 89.202 -13.536 2.769 1.00 0.00 C ATOM 1510 CD GLU A 92 88.501 -14.301 3.896 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.782 -14.015 5.047 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.694 -15.162 3.585 1.00 0.00 O ATOM 0 H GLU A 92 91.668 -10.656 1.885 1.00 0.00 H new ATOM 0 HA GLU A 92 88.783 -11.098 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.208 -12.782 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.161 -12.569 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.465 -13.018 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 92 89.726 -14.233 2.116 1.00 0.00 H new ATOM 1519 N GLU A 93 89.255 -9.111 4.084 1.00 0.00 N ATOM 1520 CA GLU A 93 89.438 -8.089 5.147 1.00 0.00 C ATOM 1521 C GLU A 93 89.272 -8.734 6.523 1.00 0.00 C ATOM 1522 O GLU A 93 88.341 -9.473 6.771 1.00 0.00 O ATOM 1523 CB GLU A 93 88.402 -6.981 4.970 1.00 0.00 C ATOM 1524 CG GLU A 93 87.012 -7.522 5.313 1.00 0.00 C ATOM 1525 CD GLU A 93 85.970 -6.423 5.101 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.464 -6.319 3.996 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.696 -5.703 6.048 1.00 0.00 O ATOM 0 H GLU A 93 88.460 -8.955 3.464 1.00 0.00 H new ATOM 0 HA GLU A 93 90.440 -7.666 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.644 -6.136 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.418 -6.614 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.780 -8.383 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.989 -7.865 6.347 1.00 0.00 H new ATOM 1534 N VAL A 94 90.179 -8.456 7.416 1.00 0.00 N ATOM 1535 CA VAL A 94 90.100 -9.039 8.777 1.00 0.00 C ATOM 1536 C VAL A 94 90.953 -8.195 9.724 1.00 0.00 C ATOM 1537 O VAL A 94 92.167 -8.265 9.707 1.00 0.00 O ATOM 1538 CB VAL A 94 90.643 -10.466 8.742 1.00 0.00 C ATOM 1539 CG1 VAL A 94 90.889 -10.959 10.170 1.00 0.00 C ATOM 1540 CG2 VAL A 94 89.631 -11.383 8.051 1.00 0.00 C ATOM 0 H VAL A 94 90.979 -7.843 7.256 1.00 0.00 H new ATOM 0 HA VAL A 94 89.066 -9.051 9.121 1.00 0.00 H new ATOM 0 HB VAL A 94 91.582 -10.480 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.276 -11.977 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.614 -10.309 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 94 89.952 -10.943 10.727 1.00 0.00 H new ATOM 0 HG21 VAL A 94 90.020 -12.401 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 94 88.690 -11.367 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 94 89.461 -11.035 7.032 1.00 0.00 H new ATOM 1550 N LYS A 95 90.340 -7.385 10.540 1.00 0.00 N ATOM 1551 CA LYS A 95 91.138 -6.540 11.469 1.00 0.00 C ATOM 1552 C LYS A 95 91.358 -7.274 12.790 1.00 0.00 C ATOM 1553 O LYS A 95 91.591 -6.667 13.814 1.00 0.00 O ATOM 1554 CB LYS A 95 90.406 -5.226 11.726 1.00 0.00 C ATOM 1555 CG LYS A 95 89.188 -5.495 12.605 1.00 0.00 C ATOM 1556 CD LYS A 95 88.454 -4.181 12.876 1.00 0.00 C ATOM 1557 CE LYS A 95 87.550 -4.342 14.097 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.225 -3.720 13.817 1.00 0.00 N ATOM 0 H LYS A 95 89.328 -7.272 10.604 1.00 0.00 H new ATOM 0 HA LYS A 95 92.107 -6.332 11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 95 91.072 -4.514 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 95 90.096 -4.777 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 95 88.520 -6.202 12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 95 89.498 -5.951 13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 95 89.173 -3.379 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 95 87.861 -3.898 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 95 87.425 -5.399 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 95 88.008 -3.872 14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.608 -3.829 14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.353 -2.709 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.788 -4.188 12.997 1.00 0.00 H new ATOM 1572 N ASP A 96 91.307 -8.575 12.749 1.00 0.00 N ATOM 1573 CA ASP A 96 91.529 -9.415 13.975 1.00 0.00 C ATOM 1574 C ASP A 96 91.081 -8.678 15.243 1.00 0.00 C ATOM 1575 O ASP A 96 91.793 -7.849 15.775 1.00 0.00 O ATOM 1576 CB ASP A 96 93.017 -9.771 14.100 1.00 0.00 C ATOM 1577 CG ASP A 96 93.873 -8.778 13.306 1.00 0.00 C ATOM 1578 OD1 ASP A 96 93.774 -7.593 13.571 1.00 0.00 O ATOM 1579 OD2 ASP A 96 94.618 -9.225 12.448 1.00 0.00 O ATOM 0 H ASP A 96 91.117 -9.110 11.902 1.00 0.00 H new ATOM 0 HA ASP A 96 90.934 -10.322 13.871 1.00 0.00 H new ATOM 0 HB2 ASP A 96 93.313 -9.759 15.149 1.00 0.00 H new ATOM 0 HB3 ASP A 96 93.187 -10.783 13.732 1.00 0.00 H new ATOM 1584 N ARG A 97 89.914 -8.985 15.744 1.00 0.00 N ATOM 1585 CA ARG A 97 89.435 -8.307 16.984 1.00 0.00 C ATOM 1586 C ARG A 97 89.362 -9.317 18.134 1.00 0.00 C ATOM 1587 O ARG A 97 89.727 -9.021 19.255 1.00 0.00 O ATOM 1588 CB ARG A 97 88.044 -7.716 16.742 1.00 0.00 C ATOM 1589 CG ARG A 97 87.723 -6.700 17.840 1.00 0.00 C ATOM 1590 CD ARG A 97 88.247 -5.323 17.431 1.00 0.00 C ATOM 1591 NE ARG A 97 89.115 -4.780 18.514 1.00 0.00 N ATOM 1592 CZ ARG A 97 89.949 -3.806 18.260 1.00 0.00 C ATOM 1593 NH1 ARG A 97 90.025 -3.302 17.058 1.00 0.00 N ATOM 1594 NH2 ARG A 97 90.709 -3.335 19.211 1.00 0.00 N ATOM 0 H ARG A 97 89.273 -9.674 15.350 1.00 0.00 H new ATOM 0 HA ARG A 97 90.131 -7.510 17.245 1.00 0.00 H new ATOM 0 HB2 ARG A 97 88.007 -7.235 15.765 1.00 0.00 H new ATOM 0 HB3 ARG A 97 87.296 -8.509 16.736 1.00 0.00 H new ATOM 0 HG2 ARG A 97 86.647 -6.656 18.006 1.00 0.00 H new ATOM 0 HG3 ARG A 97 88.179 -7.009 18.781 1.00 0.00 H new ATOM 0 HD2 ARG A 97 88.811 -5.398 16.501 1.00 0.00 H new ATOM 0 HD3 ARG A 97 87.414 -4.646 17.244 1.00 0.00 H new ATOM 0 HE ARG A 97 89.058 -5.169 19.455 1.00 0.00 H new ATOM 0 HH11 ARG A 97 89.432 -3.668 16.313 1.00 0.00 H new ATOM 0 HH12 ARG A 97 90.677 -2.542 16.864 1.00 0.00 H new ATOM 0 HH21 ARG A 97 90.652 -3.727 20.151 1.00 0.00 H new ATOM 0 HH22 ARG A 97 91.360 -2.575 19.014 1.00 0.00 H new ATOM 1608 N SER A 98 88.889 -10.504 17.870 1.00 0.00 N ATOM 1609 CA SER A 98 88.790 -11.528 18.950 1.00 0.00 C ATOM 1610 C SER A 98 89.650 -12.730 18.590 1.00 0.00 C ATOM 1611 O SER A 98 89.250 -13.866 18.762 1.00 0.00 O ATOM 1612 CB SER A 98 87.343 -11.989 19.086 1.00 0.00 C ATOM 1613 OG SER A 98 86.610 -11.032 19.842 1.00 0.00 O ATOM 0 H SER A 98 88.566 -10.810 16.952 1.00 0.00 H new ATOM 0 HA SER A 98 89.132 -11.091 19.888 1.00 0.00 H new ATOM 0 HB2 SER A 98 86.894 -12.110 18.100 1.00 0.00 H new ATOM 0 HB3 SER A 98 87.304 -12.962 19.576 1.00 0.00 H new ATOM 0 HG SER A 98 85.679 -11.327 19.928 1.00 0.00 H new ATOM 1619 N ILE A 99 90.819 -12.500 18.080 1.00 0.00 N ATOM 1620 CA ILE A 99 91.687 -13.641 17.698 1.00 0.00 C ATOM 1621 C ILE A 99 93.156 -13.277 17.914 1.00 0.00 C ATOM 1622 O ILE A 99 93.911 -14.027 18.499 1.00 0.00 O ATOM 1623 CB ILE A 99 91.448 -13.970 16.227 1.00 0.00 C ATOM 1624 CG1 ILE A 99 90.079 -14.637 16.068 1.00 0.00 C ATOM 1625 CG2 ILE A 99 92.535 -14.920 15.740 1.00 0.00 C ATOM 1626 CD1 ILE A 99 89.014 -13.566 15.827 1.00 0.00 C ATOM 0 H ILE A 99 91.212 -11.574 17.910 1.00 0.00 H new ATOM 0 HA ILE A 99 91.447 -14.506 18.316 1.00 0.00 H new ATOM 0 HB ILE A 99 91.474 -13.052 15.639 1.00 0.00 H new ATOM 0 HG12 ILE A 99 90.099 -15.339 15.234 1.00 0.00 H new ATOM 0 HG13 ILE A 99 89.836 -15.211 16.962 1.00 0.00 H new ATOM 0 HG21 ILE A 99 92.367 -15.157 14.689 1.00 0.00 H new ATOM 0 HG22 ILE A 99 93.510 -14.446 15.854 1.00 0.00 H new ATOM 0 HG23 ILE A 99 92.507 -15.837 16.328 1.00 0.00 H new ATOM 0 HD11 ILE A 99 88.039 -14.041 15.714 1.00 0.00 H new ATOM 0 HD12 ILE A 99 88.988 -12.882 16.675 1.00 0.00 H new ATOM 0 HD13 ILE A 99 89.255 -13.011 14.920 1.00 0.00 H new ATOM 1638 N LYS A 100 93.569 -12.134 17.446 1.00 0.00 N ATOM 1639 CA LYS A 100 94.989 -11.727 17.626 1.00 0.00 C ATOM 1640 C LYS A 100 95.220 -11.348 19.089 1.00 0.00 C ATOM 1641 O LYS A 100 96.191 -11.747 19.699 1.00 0.00 O ATOM 1642 CB LYS A 100 95.291 -10.530 16.724 1.00 0.00 C ATOM 1643 CG LYS A 100 94.638 -9.273 17.302 1.00 0.00 C ATOM 1644 CD LYS A 100 94.871 -8.095 16.355 1.00 0.00 C ATOM 1645 CE LYS A 100 94.725 -6.782 17.125 1.00 0.00 C ATOM 1646 NZ LYS A 100 93.452 -6.115 16.729 1.00 0.00 N ATOM 0 H LYS A 100 92.985 -11.464 16.946 1.00 0.00 H new ATOM 0 HA LYS A 100 95.649 -12.552 17.358 1.00 0.00 H new ATOM 0 HB2 LYS A 100 96.368 -10.387 16.641 1.00 0.00 H new ATOM 0 HB3 LYS A 100 94.916 -10.717 15.718 1.00 0.00 H new ATOM 0 HG2 LYS A 100 93.569 -9.436 17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 100 95.056 -9.052 18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 100 95.866 -8.161 15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 100 94.155 -8.128 15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 100 94.729 -6.974 18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 100 95.572 -6.128 16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 93.249 -5.336 17.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 93.543 -5.738 15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 92.675 -6.805 16.759 1.00 0.00 H new ATOM 1660 N LYS A 101 94.322 -10.589 19.654 1.00 0.00 N ATOM 1661 CA LYS A 101 94.463 -10.183 21.083 1.00 0.00 C ATOM 1662 C LYS A 101 95.925 -9.864 21.400 1.00 0.00 C ATOM 1663 O LYS A 101 96.462 -10.304 22.396 1.00 0.00 O ATOM 1664 CB LYS A 101 93.998 -11.325 21.985 1.00 0.00 C ATOM 1665 CG LYS A 101 92.930 -12.157 21.267 1.00 0.00 C ATOM 1666 CD LYS A 101 91.965 -12.760 22.296 1.00 0.00 C ATOM 1667 CE LYS A 101 92.740 -13.181 23.550 1.00 0.00 C ATOM 1668 NZ LYS A 101 91.889 -14.071 24.390 1.00 0.00 N ATOM 0 H LYS A 101 93.491 -10.230 19.185 1.00 0.00 H new ATOM 0 HA LYS A 101 93.854 -9.296 21.258 1.00 0.00 H new ATOM 0 HB2 LYS A 101 94.845 -11.957 22.252 1.00 0.00 H new ATOM 0 HB3 LYS A 101 93.594 -10.924 22.915 1.00 0.00 H new ATOM 0 HG2 LYS A 101 92.381 -11.532 20.562 1.00 0.00 H new ATOM 0 HG3 LYS A 101 93.402 -12.951 20.688 1.00 0.00 H new ATOM 0 HD2 LYS A 101 91.198 -12.032 22.559 1.00 0.00 H new ATOM 0 HD3 LYS A 101 91.453 -13.622 21.867 1.00 0.00 H new ATOM 0 HE2 LYS A 101 93.656 -13.699 23.266 1.00 0.00 H new ATOM 0 HE3 LYS A 101 93.035 -12.300 24.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 92.417 -14.355 25.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 91.027 -13.562 24.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 91.629 -14.918 23.845 1.00 0.00 H new ATOM 1682 N GLY A 102 96.575 -9.101 20.567 1.00 0.00 N ATOM 1683 CA GLY A 102 97.999 -8.763 20.836 1.00 0.00 C ATOM 1684 C GLY A 102 98.584 -8.018 19.634 1.00 0.00 C ATOM 1685 O GLY A 102 99.423 -8.534 18.922 1.00 0.00 O ATOM 0 H GLY A 102 96.184 -8.699 19.715 1.00 0.00 H new ATOM 0 HA2 GLY A 102 98.074 -8.146 21.731 1.00 0.00 H new ATOM 0 HA3 GLY A 102 98.570 -9.672 21.027 1.00 0.00 H new ATOM 1689 N ASN A 103 98.148 -6.811 19.401 1.00 0.00 N ATOM 1690 CA ASN A 103 98.678 -6.037 18.245 1.00 0.00 C ATOM 1691 C ASN A 103 98.042 -4.645 18.225 1.00 0.00 C ATOM 1692 O ASN A 103 97.515 -4.178 19.216 1.00 0.00 O ATOM 1693 CB ASN A 103 98.337 -6.770 16.945 1.00 0.00 C ATOM 1694 CG ASN A 103 99.628 -7.154 16.221 1.00 0.00 C ATOM 1695 OD1 ASN A 103 100.667 -7.284 16.835 1.00 0.00 O ATOM 1696 ND2 ASN A 103 99.604 -7.341 14.929 1.00 0.00 N ATOM 0 H ASN A 103 97.447 -6.327 19.962 1.00 0.00 H new ATOM 0 HA ASN A 103 99.760 -5.940 18.338 1.00 0.00 H new ATOM 0 HB2 ASN A 103 97.750 -7.663 17.162 1.00 0.00 H new ATOM 0 HB3 ASN A 103 97.725 -6.133 16.306 1.00 0.00 H new ATOM 0 HD21 ASN A 103 100.459 -7.597 14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 103 98.730 -7.232 14.414 1.00 0.00 H new ATOM 1703 N ASN A 104 98.086 -3.978 17.103 1.00 0.00 N ATOM 1704 CA ASN A 104 97.484 -2.617 17.020 1.00 0.00 C ATOM 1705 C ASN A 104 96.003 -2.736 16.647 1.00 0.00 C ATOM 1706 O ASN A 104 95.160 -2.962 17.492 1.00 0.00 O ATOM 1707 CB ASN A 104 98.219 -1.796 15.958 1.00 0.00 C ATOM 1708 CG ASN A 104 99.573 -1.343 16.507 1.00 0.00 C ATOM 1709 OD1 ASN A 104 100.291 -2.120 17.103 1.00 0.00 O ATOM 1710 ND2 ASN A 104 99.953 -0.108 16.329 1.00 0.00 N ATOM 0 H ASN A 104 98.513 -4.317 16.241 1.00 0.00 H new ATOM 0 HA ASN A 104 97.574 -2.119 17.986 1.00 0.00 H new ATOM 0 HB2 ASN A 104 98.362 -2.392 15.057 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.621 -0.929 15.675 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.854 0.206 16.691 1.00 0.00 H new ATOM 0 HD22 ASN A 104 99.349 0.544 15.828 1.00 0.00 H new ATOM 1717 N ALA A 105 95.675 -2.590 15.388 1.00 0.00 N ATOM 1718 CA ALA A 105 94.246 -2.698 14.979 1.00 0.00 C ATOM 1719 C ALA A 105 94.093 -2.290 13.511 1.00 0.00 C ATOM 1720 O ALA A 105 93.422 -1.329 13.194 1.00 0.00 O ATOM 1721 CB ALA A 105 93.397 -1.770 15.851 1.00 0.00 C ATOM 0 H ALA A 105 96.332 -2.402 14.631 1.00 0.00 H new ATOM 0 HA ALA A 105 93.914 -3.729 15.104 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.351 -1.847 15.554 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.499 -2.059 16.897 1.00 0.00 H new ATOM 0 HB3 ALA A 105 93.735 -0.742 15.724 1.00 0.00 H new ATOM 1727 N PHE A 106 94.701 -3.014 12.611 1.00 0.00 N ATOM 1728 CA PHE A 106 94.573 -2.660 11.166 1.00 0.00 C ATOM 1729 C PHE A 106 93.596 -3.616 10.491 1.00 0.00 C ATOM 1730 O PHE A 106 93.281 -4.667 11.005 1.00 0.00 O ATOM 1731 CB PHE A 106 95.919 -2.787 10.444 1.00 0.00 C ATOM 1732 CG PHE A 106 97.031 -3.060 11.416 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.263 -4.362 11.864 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.838 -2.009 11.856 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.307 -4.615 12.756 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.882 -2.258 12.746 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.119 -3.563 13.199 1.00 0.00 C ATOM 0 H PHE A 106 95.278 -3.831 12.811 1.00 0.00 H new ATOM 0 HA PHE A 106 94.222 -1.630 11.107 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.867 -3.592 9.711 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.129 -1.869 9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.636 -5.172 11.521 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.654 -1.004 11.507 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.488 -5.621 13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.508 -1.446 13.086 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.927 -3.757 13.889 1.00 0.00 H new ATOM 1747 N ARG A 107 93.156 -3.271 9.318 1.00 0.00 N ATOM 1748 CA ARG A 107 92.242 -4.161 8.555 1.00 0.00 C ATOM 1749 C ARG A 107 93.133 -5.107 7.750 1.00 0.00 C ATOM 1750 O ARG A 107 93.582 -4.787 6.664 1.00 0.00 O ATOM 1751 CB ARG A 107 91.371 -3.312 7.620 1.00 0.00 C ATOM 1752 CG ARG A 107 89.904 -3.715 7.754 1.00 0.00 C ATOM 1753 CD ARG A 107 89.264 -2.941 8.907 1.00 0.00 C ATOM 1754 NE ARG A 107 87.850 -3.382 9.073 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.122 -2.902 10.046 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.629 -2.033 10.879 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.886 -3.293 10.187 1.00 0.00 N ATOM 0 H ARG A 107 93.394 -2.398 8.848 1.00 0.00 H new ATOM 0 HA ARG A 107 91.578 -4.723 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.489 -2.256 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.698 -3.442 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.373 -3.508 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.826 -4.787 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.821 -3.112 9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.302 -1.870 8.706 1.00 0.00 H new ATOM 0 HE ARG A 107 87.450 -4.060 8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.596 -1.727 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.058 -1.660 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.489 -3.973 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.316 -2.919 10.946 1.00 0.00 H new ATOM 1771 N VAL A 108 93.437 -6.249 8.303 1.00 0.00 N ATOM 1772 CA VAL A 108 94.343 -7.199 7.606 1.00 0.00 C ATOM 1773 C VAL A 108 93.632 -7.857 6.428 1.00 0.00 C ATOM 1774 O VAL A 108 92.723 -8.642 6.594 1.00 0.00 O ATOM 1775 CB VAL A 108 94.809 -8.260 8.598 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.035 -8.978 8.040 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.187 -7.581 9.914 1.00 0.00 C ATOM 0 H VAL A 108 93.095 -6.564 9.211 1.00 0.00 H new ATOM 0 HA VAL A 108 95.204 -6.654 7.218 1.00 0.00 H new ATOM 0 HB VAL A 108 94.008 -8.980 8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.367 -9.736 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.778 -9.454 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.836 -8.257 7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.521 -8.333 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.991 -6.866 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.319 -7.059 10.316 1.00 0.00 H new ATOM 1787 N TYR A 109 94.049 -7.541 5.232 1.00 0.00 N ATOM 1788 CA TYR A 109 93.406 -8.144 4.036 1.00 0.00 C ATOM 1789 C TYR A 109 94.237 -9.326 3.545 1.00 0.00 C ATOM 1790 O TYR A 109 95.423 -9.210 3.303 1.00 0.00 O ATOM 1791 CB TYR A 109 93.306 -7.094 2.930 1.00 0.00 C ATOM 1792 CG TYR A 109 92.058 -6.273 3.138 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.713 -5.846 4.424 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.245 -5.940 2.048 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.557 -5.084 4.623 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.088 -5.177 2.248 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.745 -4.750 3.535 1.00 0.00 C ATOM 1798 OH TYR A 109 88.605 -3.997 3.731 1.00 0.00 O ATOM 0 H TYR A 109 94.809 -6.890 5.034 1.00 0.00 H new ATOM 0 HA TYR A 109 92.407 -8.493 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.186 -6.450 2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.279 -7.578 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.340 -6.105 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.510 -6.271 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.292 -4.754 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.460 -4.918 1.408 1.00 0.00 H new ATOM 0 HH TYR A 109 88.734 -3.402 4.499 1.00 0.00 H new ATOM 1808 N ARG A 110 93.620 -10.463 3.395 1.00 0.00 N ATOM 1809 CA ARG A 110 94.365 -11.658 2.918 1.00 0.00 C ATOM 1810 C ARG A 110 94.112 -11.844 1.422 1.00 0.00 C ATOM 1811 O ARG A 110 92.988 -11.994 0.988 1.00 0.00 O ATOM 1812 CB ARG A 110 93.879 -12.896 3.673 1.00 0.00 C ATOM 1813 CG ARG A 110 94.694 -13.069 4.956 1.00 0.00 C ATOM 1814 CD ARG A 110 94.002 -14.087 5.863 1.00 0.00 C ATOM 1815 NE ARG A 110 93.847 -15.374 5.127 1.00 0.00 N ATOM 1816 CZ ARG A 110 92.965 -16.255 5.519 1.00 0.00 C ATOM 1817 NH1 ARG A 110 92.212 -16.014 6.559 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.840 -17.381 4.872 1.00 0.00 N ATOM 0 H ARG A 110 92.629 -10.616 3.583 1.00 0.00 H new ATOM 0 HA ARG A 110 95.431 -11.520 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.821 -12.795 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.980 -13.781 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.703 -13.405 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.790 -12.113 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.587 -14.241 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.027 -13.712 6.173 1.00 0.00 H new ATOM 0 HE ARG A 110 94.432 -15.568 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.311 -15.136 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.525 -16.704 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 110 93.430 -17.572 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.152 -18.070 5.176 1.00 0.00 H new ATOM 1832 N MET A 111 95.151 -11.837 0.633 1.00 0.00 N ATOM 1833 CA MET A 111 94.973 -12.019 -0.834 1.00 0.00 C ATOM 1834 C MET A 111 95.277 -13.473 -1.198 1.00 0.00 C ATOM 1835 O MET A 111 96.264 -14.036 -0.769 1.00 0.00 O ATOM 1836 CB MET A 111 95.930 -11.093 -1.590 1.00 0.00 C ATOM 1837 CG MET A 111 95.588 -9.635 -1.277 1.00 0.00 C ATOM 1838 SD MET A 111 96.915 -8.561 -1.877 1.00 0.00 S ATOM 1839 CE MET A 111 95.962 -7.722 -3.166 1.00 0.00 C ATOM 0 H MET A 111 96.115 -11.713 0.941 1.00 0.00 H new ATOM 0 HA MET A 111 93.947 -11.776 -1.110 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.960 -11.305 -1.303 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.855 -11.273 -2.662 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.644 -9.363 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.457 -9.504 -0.203 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.598 -6.999 -3.676 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.598 -8.456 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 111 95.115 -7.205 -2.714 1.00 0.00 H new ATOM 1849 N LEU A 112 94.435 -14.084 -1.984 1.00 0.00 N ATOM 1850 CA LEU A 112 94.675 -15.500 -2.371 1.00 0.00 C ATOM 1851 C LEU A 112 95.510 -15.545 -3.653 1.00 0.00 C ATOM 1852 O LEU A 112 95.462 -14.632 -4.454 1.00 0.00 O ATOM 1853 CB LEU A 112 93.333 -16.195 -2.616 1.00 0.00 C ATOM 1854 CG LEU A 112 92.576 -16.332 -1.293 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.095 -16.590 -1.576 1.00 0.00 C ATOM 1856 CD2 LEU A 112 93.152 -17.504 -0.494 1.00 0.00 C ATOM 0 H LEU A 112 93.592 -13.663 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 112 95.210 -16.009 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.740 -15.621 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.497 -17.179 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 112 92.682 -15.412 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.556 -16.688 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.683 -15.757 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.989 -17.510 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.613 -17.602 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 112 93.046 -18.424 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 112 94.207 -17.322 -0.291 1.00 0.00 H new ATOM 1868 N PRO A 113 96.251 -16.613 -3.808 1.00 0.00 N ATOM 1869 CA PRO A 113 97.112 -16.818 -4.984 1.00 0.00 C ATOM 1870 C PRO A 113 96.274 -17.239 -6.194 1.00 0.00 C ATOM 1871 O PRO A 113 95.061 -17.263 -6.070 1.00 0.00 O ATOM 1872 CB PRO A 113 98.054 -17.939 -4.553 1.00 0.00 C ATOM 1873 CG PRO A 113 97.341 -18.686 -3.407 1.00 0.00 C ATOM 1874 CD PRO A 113 96.296 -17.715 -2.829 1.00 0.00 C ATOM 1875 OXT PRO A 113 96.860 -17.529 -7.225 1.00 0.00 O ATOM 0 HA PRO A 113 97.646 -15.917 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 113 98.264 -18.612 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 113 99.010 -17.537 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.864 -19.594 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.054 -18.989 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.323 -18.194 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.586 -17.359 -1.841 1.00 0.00 H new TER 1883 PRO A 113