USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 70 LYS NZ :NH3+ -119:sc= -0.0509 (180deg=-1.65) USER MOD Set 1.2: A 94 TYR OH : rot -139:sc= -2.53! USER MOD Set 2.1: A 82 THR OG1 : rot -90:sc= -1.76 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -1.06 K(o=-2.8,f=-0.29) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.244 USER MOD Single : A 30 CYS SG : rot 41:sc= -0.0311 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.0258 USER MOD Single : A 35 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.024) USER MOD Single : A 37 ASN : amide:sc=-0.00824 K(o=-0.0082,f=-0.58) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.16) USER MOD Single : A 47 THR OG1 : rot -56:sc= -0.405 USER MOD Single : A 53 SER OG : rot -140:sc= -1.01 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0316 (180deg=-0.379) USER MOD Single : A 68 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.067) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-4!) USER MOD Single : A 75 MET CE :methyl 164:sc=-0.00589 (180deg=-0.127) USER MOD Single : A 81 MET CE :methyl -126:sc= -3.59 (180deg=-11.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.5!) USER MOD Single : A 96 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.027) USER MOD Single : A 101 TYR OH : rot 30:sc= -3.07! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 87:sc= 0.87 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 122 TYR OH : rot -85:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.744 -3.348 -1.593 1.00 53.01 N ATOM 36 CA ARG A 3 5.197 -3.376 -1.700 1.00 24.42 C ATOM 37 C ARG A 3 5.745 -4.745 -1.304 1.00 50.42 C ATOM 38 O ARG A 3 6.855 -5.114 -1.684 1.00 42.14 O ATOM 39 CB ARG A 3 5.816 -2.292 -0.815 1.00 63.35 C ATOM 40 CG ARG A 3 5.336 -2.334 0.626 1.00 72.41 C ATOM 41 CD ARG A 3 6.135 -3.332 1.450 1.00 15.45 C ATOM 42 NE ARG A 3 6.964 -2.671 2.455 1.00 62.43 N ATOM 43 CZ ARG A 3 6.486 -2.164 3.585 1.00 14.31 C ATOM 44 NH1 ARG A 3 5.190 -2.241 3.854 1.00 54.21 N ATOM 45 NH2 ARG A 3 7.304 -1.578 4.450 1.00 42.03 N ATOM 0 HA ARG A 3 5.464 -3.183 -2.739 1.00 24.42 H new ATOM 0 HB2 ARG A 3 6.901 -2.398 -0.831 1.00 63.35 H new ATOM 0 HB3 ARG A 3 5.585 -1.314 -1.238 1.00 63.35 H new ATOM 0 HG2 ARG A 3 5.424 -1.342 1.069 1.00 72.41 H new ATOM 0 HG3 ARG A 3 4.280 -2.602 0.651 1.00 72.41 H new ATOM 0 HD2 ARG A 3 5.453 -4.025 1.942 1.00 15.45 H new ATOM 0 HD3 ARG A 3 6.769 -3.923 0.789 1.00 15.45 H new ATOM 0 HE ARG A 3 7.966 -2.595 2.279 1.00 62.43 H new ATOM 0 HH11 ARG A 3 4.558 -2.691 3.192 1.00 54.21 H new ATOM 0 HH12 ARG A 3 4.825 -1.851 4.723 1.00 54.21 H new ATOM 0 HH21 ARG A 3 8.302 -1.517 4.247 1.00 42.03 H new ATOM 0 HH22 ARG A 3 6.935 -1.189 5.318 1.00 42.03 H new ATOM 59 N GLY A 4 4.957 -5.493 -0.537 1.00 43.52 N ATOM 60 CA GLY A 4 5.380 -6.811 -0.102 1.00 44.21 C ATOM 61 C GLY A 4 4.214 -7.760 0.090 1.00 2.11 C ATOM 62 O GLY A 4 3.595 -7.785 1.154 1.00 53.20 O ATOM 0 H GLY A 4 4.034 -5.209 -0.209 1.00 43.52 H new ATOM 0 HA2 GLY A 4 6.068 -7.229 -0.837 1.00 44.21 H new ATOM 0 HA3 GLY A 4 5.930 -6.722 0.835 1.00 44.21 H new ATOM 66 N ILE A 5 3.913 -8.541 -0.942 1.00 23.35 N ATOM 67 CA ILE A 5 2.813 -9.496 -0.881 1.00 2.31 C ATOM 68 C ILE A 5 3.223 -10.761 -0.135 1.00 4.33 C ATOM 69 O ILE A 5 4.207 -11.412 -0.488 1.00 11.40 O ATOM 70 CB ILE A 5 2.323 -9.880 -2.289 1.00 61.04 C ATOM 71 CG1 ILE A 5 1.607 -8.697 -2.945 1.00 22.15 C ATOM 72 CG2 ILE A 5 1.403 -11.090 -2.218 1.00 50.43 C ATOM 73 CD1 ILE A 5 1.308 -8.909 -4.412 1.00 60.30 C ATOM 0 H ILE A 5 4.415 -8.531 -1.830 1.00 23.35 H new ATOM 0 HA ILE A 5 2.001 -9.007 -0.343 1.00 2.31 H new ATOM 0 HB ILE A 5 3.188 -10.140 -2.900 1.00 61.04 H new ATOM 0 HG12 ILE A 5 0.673 -8.509 -2.416 1.00 22.15 H new ATOM 0 HG13 ILE A 5 2.222 -7.804 -2.833 1.00 22.15 H new ATOM 0 HG21 ILE A 5 1.065 -11.349 -3.221 1.00 50.43 H new ATOM 0 HG22 ILE A 5 1.943 -11.933 -1.788 1.00 50.43 H new ATOM 0 HG23 ILE A 5 0.541 -10.855 -1.594 1.00 50.43 H new ATOM 0 HD11 ILE A 5 0.800 -8.031 -4.810 1.00 60.30 H new ATOM 0 HD12 ILE A 5 2.240 -9.066 -4.954 1.00 60.30 H new ATOM 0 HD13 ILE A 5 0.668 -9.783 -4.530 1.00 60.30 H new ATOM 85 N VAL A 6 2.462 -11.105 0.899 1.00 54.02 N ATOM 86 CA VAL A 6 2.744 -12.294 1.694 1.00 74.22 C ATOM 87 C VAL A 6 1.606 -13.304 1.594 1.00 20.31 C ATOM 88 O VAL A 6 0.449 -12.980 1.863 1.00 24.12 O ATOM 89 CB VAL A 6 2.971 -11.938 3.175 1.00 60.30 C ATOM 90 CG1 VAL A 6 3.626 -13.099 3.909 1.00 55.22 C ATOM 91 CG2 VAL A 6 3.813 -10.677 3.296 1.00 20.12 C ATOM 0 H VAL A 6 1.645 -10.577 1.206 1.00 54.02 H new ATOM 0 HA VAL A 6 3.655 -12.736 1.291 1.00 74.22 H new ATOM 0 HB VAL A 6 2.003 -11.747 3.638 1.00 60.30 H new ATOM 0 HG11 VAL A 6 3.779 -12.829 4.954 1.00 55.22 H new ATOM 0 HG12 VAL A 6 2.981 -13.976 3.851 1.00 55.22 H new ATOM 0 HG13 VAL A 6 4.588 -13.325 3.448 1.00 55.22 H new ATOM 0 HG21 VAL A 6 3.964 -10.440 4.349 1.00 20.12 H new ATOM 0 HG22 VAL A 6 4.779 -10.838 2.818 1.00 20.12 H new ATOM 0 HG23 VAL A 6 3.300 -9.849 2.807 1.00 20.12 H new ATOM 101 N TRP A 7 1.943 -14.529 1.206 1.00 35.13 N ATOM 102 CA TRP A 7 0.949 -15.588 1.071 1.00 15.14 C ATOM 103 C TRP A 7 0.962 -16.506 2.289 1.00 44.22 C ATOM 104 O TRP A 7 2.025 -16.853 2.805 1.00 51.22 O ATOM 105 CB TRP A 7 1.208 -16.400 -0.198 1.00 70.42 C ATOM 106 CG TRP A 7 0.822 -15.679 -1.454 1.00 75.41 C ATOM 107 CD1 TRP A 7 0.240 -14.447 -1.546 1.00 22.02 C ATOM 108 CD2 TRP A 7 0.987 -16.148 -2.797 1.00 22.02 C ATOM 109 NE1 TRP A 7 0.034 -14.121 -2.865 1.00 25.32 N ATOM 110 CE2 TRP A 7 0.485 -15.148 -3.652 1.00 51.31 C ATOM 111 CE3 TRP A 7 1.513 -17.314 -3.360 1.00 33.01 C ATOM 112 CZ2 TRP A 7 0.493 -15.281 -5.038 1.00 12.00 C ATOM 113 CZ3 TRP A 7 1.519 -17.445 -4.736 1.00 4.14 C ATOM 114 CH2 TRP A 7 1.013 -16.433 -5.562 1.00 60.02 C ATOM 0 H TRP A 7 2.896 -14.813 0.980 1.00 35.13 H new ATOM 0 HA TRP A 7 -0.034 -15.122 1.001 1.00 15.14 H new ATOM 0 HB2 TRP A 7 2.266 -16.658 -0.246 1.00 70.42 H new ATOM 0 HB3 TRP A 7 0.654 -17.337 -0.141 1.00 70.42 H new ATOM 0 HD1 TRP A 7 -0.020 -13.821 -0.705 1.00 22.02 H new ATOM 0 HE1 TRP A 7 -0.386 -13.255 -3.203 1.00 25.32 H new ATOM 0 HE3 TRP A 7 1.908 -18.098 -2.731 1.00 33.01 H new ATOM 0 HZ2 TRP A 7 0.103 -14.503 -5.677 1.00 12.00 H new ATOM 0 HZ3 TRP A 7 1.921 -18.343 -5.182 1.00 4.14 H new ATOM 0 HH2 TRP A 7 1.034 -16.565 -6.634 1.00 60.02 H new ATOM 125 N VAL A 8 -0.224 -16.896 2.744 1.00 70.43 N ATOM 126 CA VAL A 8 -0.348 -17.776 3.900 1.00 3.42 C ATOM 127 C VAL A 8 -0.812 -19.167 3.485 1.00 23.35 C ATOM 128 O VAL A 8 -1.552 -19.323 2.514 1.00 13.04 O ATOM 129 CB VAL A 8 -1.334 -17.205 4.936 1.00 14.01 C ATOM 130 CG1 VAL A 8 -1.334 -18.054 6.198 1.00 0.23 C ATOM 131 CG2 VAL A 8 -0.992 -15.758 5.257 1.00 42.12 C ATOM 0 H VAL A 8 -1.113 -16.616 2.330 1.00 70.43 H new ATOM 0 HA VAL A 8 0.642 -17.847 4.352 1.00 3.42 H new ATOM 0 HB VAL A 8 -2.337 -17.231 4.509 1.00 14.01 H new ATOM 0 HG11 VAL A 8 -2.037 -17.635 6.918 1.00 0.23 H new ATOM 0 HG12 VAL A 8 -1.632 -19.073 5.951 1.00 0.23 H new ATOM 0 HG13 VAL A 8 -0.333 -18.063 6.630 1.00 0.23 H new ATOM 0 HG21 VAL A 8 -1.699 -15.371 5.991 1.00 42.12 H new ATOM 0 HG22 VAL A 8 0.018 -15.704 5.663 1.00 42.12 H new ATOM 0 HG23 VAL A 8 -1.049 -15.160 4.347 1.00 42.12 H new ATOM 141 N VAL A 9 -0.372 -20.178 4.228 1.00 5.15 N ATOM 142 CA VAL A 9 -0.743 -21.558 3.939 1.00 2.24 C ATOM 143 C VAL A 9 -0.307 -22.491 5.063 1.00 23.21 C ATOM 144 O VAL A 9 0.792 -22.358 5.603 1.00 34.52 O ATOM 145 CB VAL A 9 -0.121 -22.041 2.615 1.00 13.34 C ATOM 146 CG1 VAL A 9 1.386 -22.191 2.756 1.00 12.52 C ATOM 147 CG2 VAL A 9 -0.757 -23.351 2.176 1.00 42.04 C ATOM 0 H VAL A 9 0.242 -20.067 5.035 1.00 5.15 H new ATOM 0 HA VAL A 9 -1.829 -21.582 3.851 1.00 2.24 H new ATOM 0 HB VAL A 9 -0.316 -21.293 1.847 1.00 13.34 H new ATOM 0 HG11 VAL A 9 1.808 -22.533 1.811 1.00 12.52 H new ATOM 0 HG12 VAL A 9 1.824 -21.229 3.022 1.00 12.52 H new ATOM 0 HG13 VAL A 9 1.608 -22.919 3.537 1.00 12.52 H new ATOM 0 HG21 VAL A 9 -0.306 -23.678 1.239 1.00 42.04 H new ATOM 0 HG22 VAL A 9 -0.594 -24.109 2.942 1.00 42.04 H new ATOM 0 HG23 VAL A 9 -1.828 -23.205 2.032 1.00 42.04 H new ATOM 157 N ASP A 10 -1.174 -23.436 5.410 1.00 0.31 N ATOM 158 CA ASP A 10 -0.878 -24.394 6.469 1.00 12.42 C ATOM 159 C ASP A 10 -1.893 -25.533 6.471 1.00 41.33 C ATOM 160 O ASP A 10 -1.677 -26.571 5.845 1.00 3.30 O ATOM 161 CB ASP A 10 -0.874 -23.696 7.830 1.00 22.14 C ATOM 162 CG ASP A 10 -0.858 -24.679 8.985 1.00 42.05 C ATOM 163 OD1 ASP A 10 -0.355 -25.806 8.796 1.00 33.42 O ATOM 164 OD2 ASP A 10 -1.349 -24.321 10.076 1.00 64.11 O ATOM 0 H ASP A 10 -2.088 -23.559 4.973 1.00 0.31 H new ATOM 0 HA ASP A 10 0.111 -24.813 6.281 1.00 12.42 H new ATOM 0 HB2 ASP A 10 -0.002 -23.045 7.899 1.00 22.14 H new ATOM 0 HB3 ASP A 10 -1.755 -23.059 7.911 1.00 22.14 H new ATOM 169 N ASP A 11 -2.999 -25.332 7.178 1.00 12.41 N ATOM 170 CA ASP A 11 -4.048 -26.342 7.261 1.00 3.43 C ATOM 171 C ASP A 11 -5.151 -25.902 8.218 1.00 55.40 C ATOM 172 O ASP A 11 -6.322 -26.230 8.024 1.00 51.20 O ATOM 173 CB ASP A 11 -3.462 -27.679 7.719 1.00 54.44 C ATOM 174 CG ASP A 11 -3.849 -28.823 6.803 1.00 32.41 C ATOM 175 OD1 ASP A 11 -3.967 -28.592 5.582 1.00 52.02 O ATOM 176 OD2 ASP A 11 -4.035 -29.951 7.308 1.00 42.30 O ATOM 0 H ASP A 11 -3.193 -24.479 7.702 1.00 12.41 H new ATOM 0 HA ASP A 11 -4.481 -26.464 6.268 1.00 3.43 H new ATOM 0 HB2 ASP A 11 -2.376 -27.601 7.760 1.00 54.44 H new ATOM 0 HB3 ASP A 11 -3.805 -27.895 8.731 1.00 54.44 H new ATOM 181 N ASP A 12 -4.770 -25.158 9.251 1.00 73.31 N ATOM 182 CA ASP A 12 -5.727 -24.673 10.238 1.00 35.13 C ATOM 183 C ASP A 12 -6.232 -23.282 9.868 1.00 12.10 C ATOM 184 O ASP A 12 -5.517 -22.497 9.245 1.00 13.23 O ATOM 185 CB ASP A 12 -5.089 -24.644 11.628 1.00 61.42 C ATOM 186 CG ASP A 12 -5.688 -25.677 12.562 1.00 72.32 C ATOM 187 OD1 ASP A 12 -6.883 -25.548 12.902 1.00 0.32 O ATOM 188 OD2 ASP A 12 -4.963 -26.616 12.952 1.00 42.23 O ATOM 0 H ASP A 12 -3.805 -24.878 9.426 1.00 73.31 H new ATOM 0 HA ASP A 12 -6.576 -25.357 10.250 1.00 35.13 H new ATOM 0 HB2 ASP A 12 -4.017 -24.820 11.536 1.00 61.42 H new ATOM 0 HB3 ASP A 12 -5.213 -23.651 12.061 1.00 61.42 H new ATOM 193 N SER A 13 -7.469 -22.984 10.255 1.00 64.25 N ATOM 194 CA SER A 13 -8.071 -21.690 9.959 1.00 51.41 C ATOM 195 C SER A 13 -7.529 -20.612 10.894 1.00 74.24 C ATOM 196 O SER A 13 -7.141 -19.530 10.453 1.00 72.41 O ATOM 197 CB SER A 13 -9.594 -21.771 10.084 1.00 24.34 C ATOM 198 OG SER A 13 -10.231 -21.099 9.012 1.00 65.34 O ATOM 0 H SER A 13 -8.073 -23.621 10.774 1.00 64.25 H new ATOM 0 HA SER A 13 -7.812 -21.422 8.935 1.00 51.41 H new ATOM 0 HB2 SER A 13 -9.906 -22.815 10.099 1.00 24.34 H new ATOM 0 HB3 SER A 13 -9.908 -21.331 11.031 1.00 24.34 H new ATOM 0 HG SER A 13 -11.203 -21.167 9.115 1.00 65.34 H new ATOM 204 N SER A 14 -7.507 -20.917 12.187 1.00 2.22 N ATOM 205 CA SER A 14 -7.017 -19.974 13.186 1.00 23.20 C ATOM 206 C SER A 14 -5.524 -19.717 13.004 1.00 21.11 C ATOM 207 O SER A 14 -4.996 -18.706 13.468 1.00 31.14 O ATOM 208 CB SER A 14 -7.286 -20.506 14.595 1.00 12.41 C ATOM 209 OG SER A 14 -6.137 -21.140 15.129 1.00 33.32 O ATOM 0 H SER A 14 -7.823 -21.809 12.568 1.00 2.22 H new ATOM 0 HA SER A 14 -7.549 -19.032 13.053 1.00 23.20 H new ATOM 0 HB2 SER A 14 -7.588 -19.685 15.246 1.00 12.41 H new ATOM 0 HB3 SER A 14 -8.116 -21.213 14.568 1.00 12.41 H new ATOM 0 HG SER A 14 -6.334 -21.470 16.031 1.00 33.32 H new ATOM 215 N ILE A 15 -4.850 -20.639 12.325 1.00 23.35 N ATOM 216 CA ILE A 15 -3.418 -20.513 12.081 1.00 54.21 C ATOM 217 C ILE A 15 -3.140 -19.555 10.928 1.00 53.44 C ATOM 218 O ILE A 15 -2.161 -18.808 10.949 1.00 35.44 O ATOM 219 CB ILE A 15 -2.778 -21.878 11.765 1.00 13.43 C ATOM 220 CG1 ILE A 15 -2.768 -22.761 13.014 1.00 23.42 C ATOM 221 CG2 ILE A 15 -1.366 -21.690 11.231 1.00 54.51 C ATOM 222 CD1 ILE A 15 -2.037 -22.143 14.186 1.00 72.33 C ATOM 0 H ILE A 15 -5.272 -21.481 11.934 1.00 23.35 H new ATOM 0 HA ILE A 15 -2.976 -20.117 12.995 1.00 54.21 H new ATOM 0 HB ILE A 15 -3.372 -22.373 10.997 1.00 13.43 H new ATOM 0 HG12 ILE A 15 -3.796 -22.972 13.308 1.00 23.42 H new ATOM 0 HG13 ILE A 15 -2.304 -23.717 12.770 1.00 23.42 H new ATOM 0 HG21 ILE A 15 -0.927 -22.663 11.012 1.00 54.51 H new ATOM 0 HG22 ILE A 15 -1.398 -21.093 10.319 1.00 54.51 H new ATOM 0 HG23 ILE A 15 -0.760 -21.178 11.978 1.00 54.51 H new ATOM 0 HD11 ILE A 15 -2.070 -22.825 15.036 1.00 72.33 H new ATOM 0 HD12 ILE A 15 -0.999 -21.957 13.910 1.00 72.33 H new ATOM 0 HD13 ILE A 15 -2.514 -21.201 14.457 1.00 72.33 H new ATOM 234 N ARG A 16 -4.009 -19.580 9.922 1.00 11.21 N ATOM 235 CA ARG A 16 -3.858 -18.713 8.760 1.00 44.12 C ATOM 236 C ARG A 16 -4.388 -17.313 9.053 1.00 1.42 C ATOM 237 O ARG A 16 -3.986 -16.340 8.415 1.00 50.22 O ATOM 238 CB ARG A 16 -4.592 -19.306 7.556 1.00 44.14 C ATOM 239 CG ARG A 16 -6.093 -19.428 7.757 1.00 31.34 C ATOM 240 CD ARG A 16 -6.819 -19.620 6.435 1.00 11.10 C ATOM 241 NE ARG A 16 -8.185 -19.106 6.481 1.00 13.11 N ATOM 242 CZ ARG A 16 -9.127 -19.442 5.607 1.00 70.52 C ATOM 243 NH1 ARG A 16 -8.852 -20.289 4.624 1.00 1.20 N ATOM 244 NH2 ARG A 16 -10.347 -18.932 5.715 1.00 72.51 N ATOM 0 H ARG A 16 -4.825 -20.191 9.889 1.00 11.21 H new ATOM 0 HA ARG A 16 -2.795 -18.639 8.529 1.00 44.12 H new ATOM 0 HB2 ARG A 16 -4.401 -18.684 6.682 1.00 44.14 H new ATOM 0 HB3 ARG A 16 -4.181 -20.293 7.341 1.00 44.14 H new ATOM 0 HG2 ARG A 16 -6.306 -20.270 8.416 1.00 31.34 H new ATOM 0 HG3 ARG A 16 -6.469 -18.533 8.253 1.00 31.34 H new ATOM 0 HD2 ARG A 16 -6.268 -19.114 5.642 1.00 11.10 H new ATOM 0 HD3 ARG A 16 -6.839 -20.680 6.183 1.00 11.10 H new ATOM 0 HE ARG A 16 -8.429 -18.453 7.225 1.00 13.11 H new ATOM 0 HH11 ARG A 16 -7.915 -20.684 4.538 1.00 1.20 H new ATOM 0 HH12 ARG A 16 -9.577 -20.546 3.954 1.00 1.20 H new ATOM 0 HH21 ARG A 16 -10.563 -18.281 6.470 1.00 72.51 H new ATOM 0 HH22 ARG A 16 -11.069 -19.191 5.043 1.00 72.51 H new ATOM 258 N TRP A 17 -5.292 -17.219 10.022 1.00 62.15 N ATOM 259 CA TRP A 17 -5.878 -15.938 10.399 1.00 44.31 C ATOM 260 C TRP A 17 -4.825 -15.015 11.002 1.00 1.44 C ATOM 261 O TRP A 17 -4.663 -13.874 10.568 1.00 63.10 O ATOM 262 CB TRP A 17 -7.019 -16.149 11.394 1.00 34.15 C ATOM 263 CG TRP A 17 -7.403 -14.902 12.132 1.00 52.13 C ATOM 264 CD1 TRP A 17 -8.292 -13.949 11.723 1.00 34.22 C ATOM 265 CD2 TRP A 17 -6.908 -14.472 13.404 1.00 0.04 C ATOM 266 NE1 TRP A 17 -8.380 -12.953 12.665 1.00 3.24 N ATOM 267 CE2 TRP A 17 -7.541 -13.250 13.707 1.00 70.43 C ATOM 268 CE3 TRP A 17 -5.993 -15.001 14.319 1.00 53.21 C ATOM 269 CZ2 TRP A 17 -7.286 -12.552 14.884 1.00 51.44 C ATOM 270 CZ3 TRP A 17 -5.741 -14.306 15.486 1.00 11.24 C ATOM 271 CH2 TRP A 17 -6.386 -13.092 15.761 1.00 61.50 C ATOM 0 H TRP A 17 -5.635 -18.014 10.561 1.00 62.15 H new ATOM 0 HA TRP A 17 -6.274 -15.468 9.498 1.00 44.31 H new ATOM 0 HB2 TRP A 17 -7.890 -16.530 10.861 1.00 34.15 H new ATOM 0 HB3 TRP A 17 -6.727 -16.913 12.114 1.00 34.15 H new ATOM 0 HD1 TRP A 17 -8.845 -13.975 10.795 1.00 34.22 H new ATOM 0 HE1 TRP A 17 -8.974 -12.126 12.599 1.00 3.24 H new ATOM 0 HE3 TRP A 17 -5.492 -15.936 14.117 1.00 53.21 H new ATOM 0 HZ2 TRP A 17 -7.782 -11.616 15.097 1.00 51.44 H new ATOM 0 HZ3 TRP A 17 -5.035 -14.705 16.199 1.00 11.24 H new ATOM 0 HH2 TRP A 17 -6.168 -12.573 16.683 1.00 61.50 H new ATOM 282 N VAL A 18 -4.111 -15.514 12.006 1.00 22.41 N ATOM 283 CA VAL A 18 -3.072 -14.734 12.668 1.00 32.22 C ATOM 284 C VAL A 18 -2.174 -14.040 11.651 1.00 63.01 C ATOM 285 O VAL A 18 -1.708 -12.922 11.878 1.00 70.41 O ATOM 286 CB VAL A 18 -2.205 -15.618 13.584 1.00 2.34 C ATOM 287 CG1 VAL A 18 -3.069 -16.332 14.612 1.00 13.22 C ATOM 288 CG2 VAL A 18 -1.407 -16.617 12.760 1.00 3.34 C ATOM 0 H VAL A 18 -4.233 -16.455 12.379 1.00 22.41 H new ATOM 0 HA VAL A 18 -3.578 -13.982 13.274 1.00 32.22 H new ATOM 0 HB VAL A 18 -1.502 -14.978 14.118 1.00 2.34 H new ATOM 0 HG11 VAL A 18 -2.439 -16.952 15.250 1.00 13.22 H new ATOM 0 HG12 VAL A 18 -3.591 -15.596 15.223 1.00 13.22 H new ATOM 0 HG13 VAL A 18 -3.798 -16.961 14.101 1.00 13.22 H new ATOM 0 HG21 VAL A 18 -0.800 -17.233 13.423 1.00 3.34 H new ATOM 0 HG22 VAL A 18 -2.091 -17.253 12.198 1.00 3.34 H new ATOM 0 HG23 VAL A 18 -0.758 -16.081 12.068 1.00 3.34 H new ATOM 298 N LEU A 19 -1.934 -14.709 10.528 1.00 2.44 N ATOM 299 CA LEU A 19 -1.091 -14.156 9.474 1.00 43.11 C ATOM 300 C LEU A 19 -1.898 -13.248 8.551 1.00 24.03 C ATOM 301 O LEU A 19 -1.415 -12.204 8.115 1.00 5.34 O ATOM 302 CB LEU A 19 -0.448 -15.283 8.664 1.00 21.33 C ATOM 303 CG LEU A 19 0.845 -15.867 9.236 1.00 74.33 C ATOM 304 CD1 LEU A 19 1.283 -17.082 8.432 1.00 52.32 C ATOM 305 CD2 LEU A 19 1.943 -14.814 9.256 1.00 73.04 C ATOM 0 H LEU A 19 -2.311 -15.635 10.324 1.00 2.44 H new ATOM 0 HA LEU A 19 -0.307 -13.562 9.944 1.00 43.11 H new ATOM 0 HB2 LEU A 19 -1.174 -16.090 8.562 1.00 21.33 H new ATOM 0 HB3 LEU A 19 -0.242 -14.911 7.660 1.00 21.33 H new ATOM 0 HG LEU A 19 0.655 -16.184 10.261 1.00 74.33 H new ATOM 0 HD11 LEU A 19 2.204 -17.484 8.853 1.00 52.32 H new ATOM 0 HD12 LEU A 19 0.504 -17.843 8.470 1.00 52.32 H new ATOM 0 HD13 LEU A 19 1.455 -16.790 7.396 1.00 52.32 H new ATOM 0 HD21 LEU A 19 2.855 -15.247 9.666 1.00 73.04 H new ATOM 0 HD22 LEU A 19 2.131 -14.465 8.241 1.00 73.04 H new ATOM 0 HD23 LEU A 19 1.630 -13.974 9.876 1.00 73.04 H new ATOM 317 N GLU A 20 -3.130 -13.653 8.260 1.00 22.40 N ATOM 318 CA GLU A 20 -4.004 -12.875 7.390 1.00 3.12 C ATOM 319 C GLU A 20 -4.276 -11.497 7.986 1.00 53.54 C ATOM 320 O GLU A 20 -4.255 -10.488 7.279 1.00 32.43 O ATOM 321 CB GLU A 20 -5.324 -13.614 7.163 1.00 62.33 C ATOM 322 CG GLU A 20 -5.796 -13.586 5.719 1.00 53.02 C ATOM 323 CD GLU A 20 -7.150 -14.244 5.535 1.00 12.30 C ATOM 324 OE1 GLU A 20 -7.702 -14.756 6.531 1.00 23.02 O ATOM 325 OE2 GLU A 20 -7.658 -14.245 4.394 1.00 31.40 O ATOM 0 H GLU A 20 -3.545 -14.515 8.614 1.00 22.40 H new ATOM 0 HA GLU A 20 -3.500 -12.745 6.432 1.00 3.12 H new ATOM 0 HB2 GLU A 20 -5.209 -14.651 7.479 1.00 62.33 H new ATOM 0 HB3 GLU A 20 -6.092 -13.171 7.796 1.00 62.33 H new ATOM 0 HG2 GLU A 20 -5.849 -12.552 5.378 1.00 53.02 H new ATOM 0 HG3 GLU A 20 -5.062 -14.091 5.091 1.00 53.02 H new ATOM 332 N ARG A 21 -4.533 -11.462 9.289 1.00 5.32 N ATOM 333 CA ARG A 21 -4.811 -10.208 9.980 1.00 72.41 C ATOM 334 C ARG A 21 -3.532 -9.400 10.177 1.00 60.20 C ATOM 335 O ARG A 21 -3.575 -8.181 10.335 1.00 1.45 O ATOM 336 CB ARG A 21 -5.468 -10.483 11.334 1.00 5.23 C ATOM 337 CG ARG A 21 -4.609 -11.319 12.269 1.00 4.51 C ATOM 338 CD ARG A 21 -4.665 -10.794 13.695 1.00 4.13 C ATOM 339 NE ARG A 21 -3.545 -9.906 13.996 1.00 1.12 N ATOM 340 CZ ARG A 21 -3.536 -9.054 15.016 1.00 64.43 C ATOM 341 NH1 ARG A 21 -4.581 -8.976 15.828 1.00 25.20 N ATOM 342 NH2 ARG A 21 -2.479 -8.279 15.225 1.00 72.15 N ATOM 0 H ARG A 21 -4.555 -12.287 9.888 1.00 5.32 H new ATOM 0 HA ARG A 21 -5.495 -9.626 9.363 1.00 72.41 H new ATOM 0 HB2 ARG A 21 -5.697 -9.533 11.817 1.00 5.23 H new ATOM 0 HB3 ARG A 21 -6.417 -10.995 11.171 1.00 5.23 H new ATOM 0 HG2 ARG A 21 -4.948 -12.355 12.248 1.00 4.51 H new ATOM 0 HG3 ARG A 21 -3.577 -11.314 11.919 1.00 4.51 H new ATOM 0 HD2 ARG A 21 -5.603 -10.259 13.848 1.00 4.13 H new ATOM 0 HD3 ARG A 21 -4.659 -11.633 14.391 1.00 4.13 H new ATOM 0 HE ARG A 21 -2.725 -9.942 13.390 1.00 1.12 H new ATOM 0 HH11 ARG A 21 -5.395 -9.571 15.671 1.00 25.20 H new ATOM 0 HH12 ARG A 21 -4.571 -8.321 16.610 1.00 25.20 H new ATOM 0 HH21 ARG A 21 -1.673 -8.337 14.603 1.00 72.15 H new ATOM 0 HH22 ARG A 21 -2.473 -7.625 16.008 1.00 72.15 H new ATOM 356 N ALA A 22 -2.395 -10.089 10.166 1.00 15.02 N ATOM 357 CA ALA A 22 -1.104 -9.435 10.342 1.00 35.51 C ATOM 358 C ALA A 22 -0.774 -8.543 9.150 1.00 22.44 C ATOM 359 O ALA A 22 -0.194 -7.468 9.309 1.00 74.05 O ATOM 360 CB ALA A 22 -0.011 -10.473 10.546 1.00 20.54 C ATOM 0 H ALA A 22 -2.342 -11.099 10.037 1.00 15.02 H new ATOM 0 HA ALA A 22 -1.161 -8.804 11.229 1.00 35.51 H new ATOM 0 HB1 ALA A 22 0.948 -9.971 10.676 1.00 20.54 H new ATOM 0 HB2 ALA A 22 -0.233 -11.066 11.433 1.00 20.54 H new ATOM 0 HB3 ALA A 22 0.037 -11.127 9.675 1.00 20.54 H new ATOM 366 N LEU A 23 -1.145 -8.996 7.958 1.00 65.12 N ATOM 367 CA LEU A 23 -0.887 -8.239 6.738 1.00 44.21 C ATOM 368 C LEU A 23 -1.978 -7.199 6.501 1.00 24.52 C ATOM 369 O LEU A 23 -1.700 -6.081 6.070 1.00 1.23 O ATOM 370 CB LEU A 23 -0.797 -9.183 5.538 1.00 45.24 C ATOM 371 CG LEU A 23 0.025 -10.456 5.745 1.00 40.42 C ATOM 372 CD1 LEU A 23 -0.294 -11.479 4.666 1.00 52.42 C ATOM 373 CD2 LEU A 23 1.512 -10.135 5.755 1.00 45.43 C ATOM 0 H LEU A 23 -1.625 -9.884 7.810 1.00 65.12 H new ATOM 0 HA LEU A 23 0.064 -7.720 6.856 1.00 44.21 H new ATOM 0 HB2 LEU A 23 -1.808 -9.470 5.251 1.00 45.24 H new ATOM 0 HB3 LEU A 23 -0.372 -8.632 4.699 1.00 45.24 H new ATOM 0 HG LEU A 23 -0.241 -10.883 6.712 1.00 40.42 H new ATOM 0 HD11 LEU A 23 0.300 -12.378 4.830 1.00 52.42 H new ATOM 0 HD12 LEU A 23 -1.353 -11.732 4.706 1.00 52.42 H new ATOM 0 HD13 LEU A 23 -0.058 -11.061 3.687 1.00 52.42 H new ATOM 0 HD21 LEU A 23 2.081 -11.053 5.903 1.00 45.43 H new ATOM 0 HD22 LEU A 23 1.793 -9.683 4.804 1.00 45.43 H new ATOM 0 HD23 LEU A 23 1.728 -9.439 6.565 1.00 45.43 H new ATOM 385 N ALA A 24 -3.219 -7.577 6.788 1.00 13.31 N ATOM 386 CA ALA A 24 -4.352 -6.676 6.611 1.00 65.14 C ATOM 387 C ALA A 24 -4.096 -5.333 7.287 1.00 72.33 C ATOM 388 O ALA A 24 -4.309 -4.277 6.692 1.00 34.53 O ATOM 389 CB ALA A 24 -5.622 -7.311 7.157 1.00 63.22 C ATOM 0 H ALA A 24 -3.466 -8.500 7.144 1.00 13.31 H new ATOM 0 HA ALA A 24 -4.479 -6.497 5.543 1.00 65.14 H new ATOM 0 HB1 ALA A 24 -6.459 -6.627 7.018 1.00 63.22 H new ATOM 0 HB2 ALA A 24 -5.821 -8.241 6.625 1.00 63.22 H new ATOM 0 HB3 ALA A 24 -5.497 -7.520 8.219 1.00 63.22 H new ATOM 395 N GLY A 25 -3.639 -5.381 8.534 1.00 24.43 N ATOM 396 CA GLY A 25 -3.363 -4.162 9.271 1.00 42.23 C ATOM 397 C GLY A 25 -1.967 -3.631 9.012 1.00 65.50 C ATOM 398 O GLY A 25 -1.580 -2.594 9.549 1.00 52.32 O ATOM 0 H GLY A 25 -3.455 -6.243 9.047 1.00 24.43 H new ATOM 0 HA2 GLY A 25 -4.094 -3.402 8.996 1.00 42.23 H new ATOM 0 HA3 GLY A 25 -3.484 -4.351 10.338 1.00 42.23 H new ATOM 402 N ALA A 26 -1.207 -4.346 8.188 1.00 20.23 N ATOM 403 CA ALA A 26 0.154 -3.941 7.859 1.00 21.24 C ATOM 404 C ALA A 26 0.198 -3.190 6.533 1.00 60.41 C ATOM 405 O ALA A 26 1.145 -2.455 6.256 1.00 74.02 O ATOM 406 CB ALA A 26 1.069 -5.156 7.811 1.00 0.01 C ATOM 0 H ALA A 26 -1.511 -5.208 7.736 1.00 20.23 H new ATOM 0 HA ALA A 26 0.505 -3.266 8.640 1.00 21.24 H new ATOM 0 HB1 ALA A 26 2.082 -4.839 7.564 1.00 0.01 H new ATOM 0 HB2 ALA A 26 1.070 -5.650 8.783 1.00 0.01 H new ATOM 0 HB3 ALA A 26 0.711 -5.851 7.051 1.00 0.01 H new ATOM 412 N GLY A 27 -0.833 -3.382 5.715 1.00 0.53 N ATOM 413 CA GLY A 27 -0.891 -2.716 4.427 1.00 14.00 C ATOM 414 C GLY A 27 -0.297 -3.555 3.313 1.00 23.04 C ATOM 415 O GLY A 27 0.239 -3.021 2.341 1.00 14.42 O ATOM 0 H GLY A 27 -1.628 -3.986 5.921 1.00 0.53 H new ATOM 0 HA2 GLY A 27 -1.929 -2.483 4.188 1.00 14.00 H new ATOM 0 HA3 GLY A 27 -0.357 -1.768 4.488 1.00 14.00 H new ATOM 419 N LEU A 28 -0.388 -4.873 3.454 1.00 12.35 N ATOM 420 CA LEU A 28 0.147 -5.788 2.453 1.00 72.42 C ATOM 421 C LEU A 28 -0.871 -6.870 2.105 1.00 23.32 C ATOM 422 O LEU A 28 -1.595 -7.359 2.973 1.00 54.21 O ATOM 423 CB LEU A 28 1.439 -6.431 2.959 1.00 20.44 C ATOM 424 CG LEU A 28 2.034 -5.829 4.233 1.00 42.04 C ATOM 425 CD1 LEU A 28 3.121 -6.733 4.794 1.00 75.33 C ATOM 426 CD2 LEU A 28 2.586 -4.438 3.957 1.00 14.30 C ATOM 0 H LEU A 28 -0.827 -5.331 4.252 1.00 12.35 H new ATOM 0 HA LEU A 28 0.363 -5.215 1.551 1.00 72.42 H new ATOM 0 HB2 LEU A 28 1.249 -7.490 3.136 1.00 20.44 H new ATOM 0 HB3 LEU A 28 2.186 -6.369 2.168 1.00 20.44 H new ATOM 0 HG LEU A 28 1.241 -5.744 4.976 1.00 42.04 H new ATOM 0 HD11 LEU A 28 3.532 -6.288 5.700 1.00 75.33 H new ATOM 0 HD12 LEU A 28 2.697 -7.709 5.029 1.00 75.33 H new ATOM 0 HD13 LEU A 28 3.914 -6.850 4.055 1.00 75.33 H new ATOM 0 HD21 LEU A 28 3.005 -4.024 4.874 1.00 14.30 H new ATOM 0 HD22 LEU A 28 3.365 -4.500 3.197 1.00 14.30 H new ATOM 0 HD23 LEU A 28 1.783 -3.792 3.602 1.00 14.30 H new ATOM 438 N THR A 29 -0.919 -7.243 0.830 1.00 43.32 N ATOM 439 CA THR A 29 -1.846 -8.267 0.367 1.00 31.43 C ATOM 440 C THR A 29 -1.742 -9.528 1.219 1.00 53.43 C ATOM 441 O THR A 29 -0.711 -9.785 1.841 1.00 41.51 O ATOM 442 CB THR A 29 -1.588 -8.634 -1.106 1.00 73.53 C ATOM 443 OG1 THR A 29 -1.402 -7.445 -1.882 1.00 74.31 O ATOM 444 CG2 THR A 29 -2.747 -9.440 -1.674 1.00 30.31 C ATOM 0 H THR A 29 -0.326 -6.850 0.099 1.00 43.32 H new ATOM 0 HA THR A 29 -2.849 -7.851 0.459 1.00 31.43 H new ATOM 0 HB THR A 29 -0.685 -9.243 -1.153 1.00 73.53 H new ATOM 0 HG1 THR A 29 -1.396 -7.674 -2.835 1.00 74.31 H new ATOM 0 HG21 THR A 29 -2.542 -9.688 -2.716 1.00 30.31 H new ATOM 0 HG22 THR A 29 -2.867 -10.358 -1.100 1.00 30.31 H new ATOM 0 HG23 THR A 29 -3.663 -8.852 -1.614 1.00 30.31 H new ATOM 452 N CYS A 30 -2.815 -10.310 1.241 1.00 32.45 N ATOM 453 CA CYS A 30 -2.844 -11.545 2.017 1.00 35.15 C ATOM 454 C CYS A 30 -3.688 -12.606 1.319 1.00 35.31 C ATOM 455 O CYS A 30 -4.891 -12.429 1.123 1.00 73.23 O ATOM 456 CB CYS A 30 -3.396 -11.278 3.419 1.00 60.33 C ATOM 457 SG CYS A 30 -4.962 -10.375 3.436 1.00 50.20 S ATOM 0 H CYS A 30 -3.676 -10.112 0.731 1.00 32.45 H new ATOM 0 HA CYS A 30 -1.823 -11.916 2.101 1.00 35.15 H new ATOM 0 HB2 CYS A 30 -3.532 -12.230 3.932 1.00 60.33 H new ATOM 0 HB3 CYS A 30 -2.657 -10.713 3.987 1.00 60.33 H new ATOM 0 HG CYS A 30 -5.731 -10.822 2.488 1.00 50.20 H new ATOM 463 N THR A 31 -3.050 -13.710 0.944 1.00 70.52 N ATOM 464 CA THR A 31 -3.741 -14.799 0.265 1.00 63.35 C ATOM 465 C THR A 31 -3.514 -16.126 0.980 1.00 2.25 C ATOM 466 O THR A 31 -2.399 -16.649 1.003 1.00 10.24 O ATOM 467 CB THR A 31 -3.277 -14.933 -1.198 1.00 52.44 C ATOM 468 OG1 THR A 31 -3.662 -13.771 -1.942 1.00 5.21 O ATOM 469 CG2 THR A 31 -3.873 -16.174 -1.844 1.00 35.30 C ATOM 0 H THR A 31 -2.055 -13.874 1.099 1.00 70.52 H new ATOM 0 HA THR A 31 -4.804 -14.557 0.282 1.00 63.35 H new ATOM 0 HB THR A 31 -2.191 -15.026 -1.204 1.00 52.44 H new ATOM 0 HG1 THR A 31 -3.362 -13.863 -2.870 1.00 5.21 H new ATOM 0 HG21 THR A 31 -3.531 -16.247 -2.876 1.00 35.30 H new ATOM 0 HG22 THR A 31 -3.555 -17.059 -1.293 1.00 35.30 H new ATOM 0 HG23 THR A 31 -4.961 -16.107 -1.826 1.00 35.30 H new ATOM 477 N THR A 32 -4.578 -16.667 1.565 1.00 71.53 N ATOM 478 CA THR A 32 -4.495 -17.933 2.282 1.00 21.30 C ATOM 479 C THR A 32 -5.100 -19.069 1.465 1.00 61.20 C ATOM 480 O THR A 32 -6.236 -18.976 1.000 1.00 33.24 O ATOM 481 CB THR A 32 -5.212 -17.856 3.643 1.00 75.22 C ATOM 482 OG1 THR A 32 -6.631 -17.900 3.452 1.00 61.41 O ATOM 483 CG2 THR A 32 -4.835 -16.582 4.382 1.00 3.43 C ATOM 0 H THR A 32 -5.508 -16.248 1.556 1.00 71.53 H new ATOM 0 HA THR A 32 -3.436 -18.133 2.448 1.00 21.30 H new ATOM 0 HB THR A 32 -4.899 -18.711 4.242 1.00 75.22 H new ATOM 0 HG1 THR A 32 -7.079 -17.541 4.246 1.00 61.41 H new ATOM 0 HG21 THR A 32 -5.354 -16.550 5.340 1.00 3.43 H new ATOM 0 HG22 THR A 32 -3.758 -16.565 4.551 1.00 3.43 H new ATOM 0 HG23 THR A 32 -5.122 -15.716 3.785 1.00 3.43 H new ATOM 491 N PHE A 33 -4.334 -20.142 1.294 1.00 51.45 N ATOM 492 CA PHE A 33 -4.795 -21.296 0.532 1.00 73.43 C ATOM 493 C PHE A 33 -5.321 -22.386 1.461 1.00 20.41 C ATOM 494 O PHE A 33 -6.494 -22.386 1.833 1.00 21.11 O ATOM 495 CB PHE A 33 -3.660 -21.851 -0.332 1.00 53.50 C ATOM 496 CG PHE A 33 -3.186 -20.891 -1.386 1.00 24.13 C ATOM 497 CD1 PHE A 33 -2.338 -19.845 -1.058 1.00 62.40 C ATOM 498 CD2 PHE A 33 -3.588 -21.035 -2.704 1.00 2.31 C ATOM 499 CE1 PHE A 33 -1.899 -18.961 -2.025 1.00 42.03 C ATOM 500 CE2 PHE A 33 -3.152 -20.154 -3.675 1.00 43.24 C ATOM 501 CZ PHE A 33 -2.307 -19.115 -3.336 1.00 12.15 C ATOM 0 H PHE A 33 -3.392 -20.236 1.673 1.00 51.45 H new ATOM 0 HA PHE A 33 -5.609 -20.970 -0.116 1.00 73.43 H new ATOM 0 HB2 PHE A 33 -2.821 -22.116 0.311 1.00 53.50 H new ATOM 0 HB3 PHE A 33 -3.996 -22.770 -0.813 1.00 53.50 H new ATOM 0 HD1 PHE A 33 -2.017 -19.719 -0.035 1.00 62.40 H new ATOM 0 HD2 PHE A 33 -4.249 -21.845 -2.975 1.00 2.31 H new ATOM 0 HE1 PHE A 33 -1.238 -18.151 -1.756 1.00 42.03 H new ATOM 0 HE2 PHE A 33 -3.472 -20.278 -4.699 1.00 43.24 H new ATOM 0 HZ PHE A 33 -1.966 -18.425 -4.094 1.00 12.15 H new ATOM 511 N GLU A 34 -4.444 -23.314 1.831 1.00 63.31 N ATOM 512 CA GLU A 34 -4.820 -24.411 2.715 1.00 1.14 C ATOM 513 C GLU A 34 -3.673 -25.405 2.867 1.00 25.45 C ATOM 514 O GLU A 34 -3.324 -25.802 3.979 1.00 40.33 O ATOM 515 CB GLU A 34 -6.061 -25.126 2.178 1.00 33.01 C ATOM 516 CG GLU A 34 -6.018 -25.378 0.680 1.00 20.34 C ATOM 517 CD GLU A 34 -7.309 -25.973 0.151 1.00 24.24 C ATOM 518 OE1 GLU A 34 -7.438 -27.215 0.166 1.00 33.30 O ATOM 519 OE2 GLU A 34 -8.188 -25.198 -0.277 1.00 52.42 O ATOM 0 H GLU A 34 -3.469 -23.328 1.532 1.00 63.31 H new ATOM 0 HA GLU A 34 -5.047 -23.992 3.695 1.00 1.14 H new ATOM 0 HB2 GLU A 34 -6.173 -26.079 2.695 1.00 33.01 H new ATOM 0 HB3 GLU A 34 -6.943 -24.530 2.413 1.00 33.01 H new ATOM 0 HG2 GLU A 34 -5.816 -24.440 0.163 1.00 20.34 H new ATOM 0 HG3 GLU A 34 -5.192 -26.051 0.452 1.00 20.34 H new ATOM 526 N ASN A 35 -3.090 -25.805 1.741 1.00 11.54 N ATOM 527 CA ASN A 35 -1.983 -26.754 1.748 1.00 2.44 C ATOM 528 C ASN A 35 -0.786 -26.199 0.982 1.00 71.05 C ATOM 529 O ASN A 35 -0.939 -25.361 0.094 1.00 4.42 O ATOM 530 CB ASN A 35 -2.422 -28.086 1.137 1.00 4.31 C ATOM 531 CG ASN A 35 -2.181 -29.257 2.070 1.00 74.01 C ATOM 532 OD1 ASN A 35 -1.291 -30.076 1.840 1.00 51.32 O ATOM 533 ND2 ASN A 35 -2.977 -29.342 3.130 1.00 40.12 N ATOM 0 H ASN A 35 -3.366 -25.486 0.812 1.00 11.54 H new ATOM 0 HA ASN A 35 -1.684 -26.918 2.783 1.00 2.44 H new ATOM 0 HB2 ASN A 35 -3.482 -28.036 0.887 1.00 4.31 H new ATOM 0 HB3 ASN A 35 -1.882 -28.251 0.205 1.00 4.31 H new ATOM 0 HD21 ASN A 35 -2.863 -30.109 3.793 1.00 40.12 H new ATOM 0 HD22 ASN A 35 -3.702 -28.640 3.281 1.00 40.12 H new ATOM 540 N GLY A 36 0.406 -26.674 1.330 1.00 34.45 N ATOM 541 CA GLY A 36 1.611 -26.216 0.665 1.00 1.43 C ATOM 542 C GLY A 36 1.612 -26.533 -0.817 1.00 20.21 C ATOM 543 O GLY A 36 2.051 -25.723 -1.632 1.00 11.33 O ATOM 0 H GLY A 36 0.558 -27.368 2.061 1.00 34.45 H new ATOM 0 HA2 GLY A 36 1.712 -25.139 0.803 1.00 1.43 H new ATOM 0 HA3 GLY A 36 2.479 -26.680 1.133 1.00 1.43 H new ATOM 547 N ASN A 37 1.121 -27.717 -1.167 1.00 74.41 N ATOM 548 CA ASN A 37 1.069 -28.141 -2.562 1.00 34.24 C ATOM 549 C ASN A 37 0.222 -27.180 -3.391 1.00 21.40 C ATOM 550 O ASN A 37 0.334 -27.138 -4.616 1.00 24.34 O ATOM 551 CB ASN A 37 0.501 -29.558 -2.665 1.00 34.23 C ATOM 552 CG ASN A 37 1.028 -30.306 -3.874 1.00 52.34 C ATOM 553 OD1 ASN A 37 1.525 -29.700 -4.824 1.00 21.21 O ATOM 554 ND2 ASN A 37 0.921 -31.629 -3.845 1.00 14.01 N ATOM 0 H ASN A 37 0.753 -28.400 -0.505 1.00 74.41 H new ATOM 0 HA ASN A 37 2.085 -28.135 -2.956 1.00 34.24 H new ATOM 0 HB2 ASN A 37 0.751 -30.113 -1.761 1.00 34.23 H new ATOM 0 HB3 ASN A 37 -0.587 -29.508 -2.718 1.00 34.23 H new ATOM 0 HD21 ASN A 37 1.258 -32.185 -4.631 1.00 14.01 H new ATOM 0 HD22 ASN A 37 0.502 -32.089 -3.037 1.00 14.01 H new ATOM 561 N GLU A 38 -0.624 -26.410 -2.714 1.00 71.40 N ATOM 562 CA GLU A 38 -1.489 -25.450 -3.389 1.00 75.31 C ATOM 563 C GLU A 38 -0.777 -24.114 -3.577 1.00 12.13 C ATOM 564 O GLU A 38 -1.214 -23.269 -4.358 1.00 14.21 O ATOM 565 CB GLU A 38 -2.780 -25.245 -2.593 1.00 20.51 C ATOM 566 CG GLU A 38 -3.204 -26.468 -1.796 1.00 3.44 C ATOM 567 CD GLU A 38 -3.328 -27.711 -2.655 1.00 40.42 C ATOM 568 OE1 GLU A 38 -3.521 -27.567 -3.881 1.00 15.24 O ATOM 569 OE2 GLU A 38 -3.232 -28.826 -2.103 1.00 71.41 O ATOM 0 H GLU A 38 -0.729 -26.432 -1.700 1.00 71.40 H new ATOM 0 HA GLU A 38 -1.736 -25.851 -4.372 1.00 75.31 H new ATOM 0 HB2 GLU A 38 -2.647 -24.405 -1.911 1.00 20.51 H new ATOM 0 HB3 GLU A 38 -3.581 -24.974 -3.280 1.00 20.51 H new ATOM 0 HG2 GLU A 38 -2.478 -26.650 -1.003 1.00 3.44 H new ATOM 0 HG3 GLU A 38 -4.160 -26.268 -1.313 1.00 3.44 H new ATOM 576 N VAL A 39 0.323 -23.930 -2.854 1.00 1.32 N ATOM 577 CA VAL A 39 1.097 -22.697 -2.940 1.00 21.20 C ATOM 578 C VAL A 39 2.151 -22.786 -4.038 1.00 24.04 C ATOM 579 O VAL A 39 2.374 -21.828 -4.779 1.00 52.03 O ATOM 580 CB VAL A 39 1.790 -22.375 -1.603 1.00 0.13 C ATOM 581 CG1 VAL A 39 2.395 -20.980 -1.637 1.00 54.50 C ATOM 582 CG2 VAL A 39 0.809 -22.511 -0.448 1.00 72.52 C ATOM 0 H VAL A 39 0.698 -24.619 -2.202 1.00 1.32 H new ATOM 0 HA VAL A 39 0.395 -21.898 -3.178 1.00 21.20 H new ATOM 0 HB VAL A 39 2.597 -23.092 -1.451 1.00 0.13 H new ATOM 0 HG11 VAL A 39 2.880 -20.770 -0.684 1.00 54.50 H new ATOM 0 HG12 VAL A 39 3.131 -20.922 -2.439 1.00 54.50 H new ATOM 0 HG13 VAL A 39 1.608 -20.246 -1.813 1.00 54.50 H new ATOM 0 HG21 VAL A 39 1.316 -22.280 0.489 1.00 72.52 H new ATOM 0 HG22 VAL A 39 -0.021 -21.819 -0.592 1.00 72.52 H new ATOM 0 HG23 VAL A 39 0.428 -23.532 -0.412 1.00 72.52 H new ATOM 592 N LEU A 40 2.798 -23.942 -4.137 1.00 24.05 N ATOM 593 CA LEU A 40 3.830 -24.157 -5.145 1.00 23.41 C ATOM 594 C LEU A 40 3.332 -23.753 -6.529 1.00 3.13 C ATOM 595 O LEU A 40 4.054 -23.120 -7.298 1.00 42.24 O ATOM 596 CB LEU A 40 4.263 -25.625 -5.155 1.00 1.42 C ATOM 597 CG LEU A 40 4.786 -26.161 -6.488 1.00 34.21 C ATOM 598 CD1 LEU A 40 5.921 -25.292 -7.005 1.00 25.12 C ATOM 599 CD2 LEU A 40 5.242 -27.605 -6.339 1.00 73.45 C ATOM 0 H LEU A 40 2.626 -24.745 -3.532 1.00 24.05 H new ATOM 0 HA LEU A 40 4.687 -23.533 -4.891 1.00 23.41 H new ATOM 0 HB2 LEU A 40 5.040 -25.759 -4.402 1.00 1.42 H new ATOM 0 HB3 LEU A 40 3.414 -26.236 -4.849 1.00 1.42 H new ATOM 0 HG LEU A 40 3.974 -26.130 -7.214 1.00 34.21 H new ATOM 0 HD11 LEU A 40 6.280 -25.689 -7.954 1.00 25.12 H new ATOM 0 HD12 LEU A 40 5.562 -24.273 -7.151 1.00 25.12 H new ATOM 0 HD13 LEU A 40 6.736 -25.290 -6.281 1.00 25.12 H new ATOM 0 HD21 LEU A 40 5.611 -27.971 -7.297 1.00 73.45 H new ATOM 0 HD22 LEU A 40 6.039 -27.660 -5.598 1.00 73.45 H new ATOM 0 HD23 LEU A 40 4.402 -28.220 -6.015 1.00 73.45 H new ATOM 611 N ALA A 41 2.093 -24.121 -6.837 1.00 62.30 N ATOM 612 CA ALA A 41 1.497 -23.793 -8.126 1.00 61.20 C ATOM 613 C ALA A 41 1.057 -22.334 -8.172 1.00 14.03 C ATOM 614 O ALA A 41 0.981 -21.732 -9.242 1.00 75.03 O ATOM 615 CB ALA A 41 0.318 -24.712 -8.411 1.00 50.43 C ATOM 0 H ALA A 41 1.482 -24.646 -6.211 1.00 62.30 H new ATOM 0 HA ALA A 41 2.253 -23.941 -8.897 1.00 61.20 H new ATOM 0 HB1 ALA A 41 -0.118 -24.456 -9.377 1.00 50.43 H new ATOM 0 HB2 ALA A 41 0.660 -25.747 -8.430 1.00 50.43 H new ATOM 0 HB3 ALA A 41 -0.434 -24.592 -7.631 1.00 50.43 H new ATOM 621 N ALA A 42 0.767 -21.771 -7.003 1.00 72.41 N ATOM 622 CA ALA A 42 0.335 -20.382 -6.910 1.00 61.22 C ATOM 623 C ALA A 42 1.451 -19.431 -7.330 1.00 20.44 C ATOM 624 O ALA A 42 1.201 -18.405 -7.963 1.00 72.12 O ATOM 625 CB ALA A 42 -0.126 -20.066 -5.495 1.00 21.40 C ATOM 0 H ALA A 42 0.824 -22.256 -6.107 1.00 72.41 H new ATOM 0 HA ALA A 42 -0.503 -20.241 -7.593 1.00 61.22 H new ATOM 0 HB1 ALA A 42 -0.446 -19.025 -5.440 1.00 21.40 H new ATOM 0 HB2 ALA A 42 -0.960 -20.716 -5.230 1.00 21.40 H new ATOM 0 HB3 ALA A 42 0.697 -20.230 -4.799 1.00 21.40 H new ATOM 631 N LEU A 43 2.683 -19.778 -6.972 1.00 54.13 N ATOM 632 CA LEU A 43 3.838 -18.954 -7.311 1.00 70.33 C ATOM 633 C LEU A 43 3.949 -18.767 -8.821 1.00 61.00 C ATOM 634 O LEU A 43 4.310 -17.692 -9.298 1.00 42.31 O ATOM 635 CB LEU A 43 5.119 -19.590 -6.769 1.00 62.32 C ATOM 636 CG LEU A 43 5.007 -20.266 -5.402 1.00 12.51 C ATOM 637 CD1 LEU A 43 6.387 -20.601 -4.857 1.00 55.30 C ATOM 638 CD2 LEU A 43 4.249 -19.375 -4.428 1.00 73.21 C ATOM 0 H LEU A 43 2.907 -20.624 -6.448 1.00 54.13 H new ATOM 0 HA LEU A 43 3.703 -17.975 -6.851 1.00 70.33 H new ATOM 0 HB2 LEU A 43 5.467 -20.330 -7.490 1.00 62.32 H new ATOM 0 HB3 LEU A 43 5.886 -18.818 -6.709 1.00 62.32 H new ATOM 0 HG LEU A 43 4.451 -21.196 -5.522 1.00 12.51 H new ATOM 0 HD11 LEU A 43 6.287 -21.081 -3.884 1.00 55.30 H new ATOM 0 HD12 LEU A 43 6.896 -21.277 -5.545 1.00 55.30 H new ATOM 0 HD13 LEU A 43 6.969 -19.685 -4.752 1.00 55.30 H new ATOM 0 HD21 LEU A 43 4.178 -19.871 -3.460 1.00 73.21 H new ATOM 0 HD22 LEU A 43 4.778 -18.429 -4.313 1.00 73.21 H new ATOM 0 HD23 LEU A 43 3.247 -19.186 -4.813 1.00 73.21 H new ATOM 650 N ALA A 44 3.634 -19.820 -9.567 1.00 70.55 N ATOM 651 CA ALA A 44 3.694 -19.771 -11.023 1.00 2.10 C ATOM 652 C ALA A 44 2.704 -18.753 -11.579 1.00 71.31 C ATOM 653 O ALA A 44 2.766 -18.391 -12.754 1.00 13.43 O ATOM 654 CB ALA A 44 3.424 -21.148 -11.610 1.00 31.43 C ATOM 0 H ALA A 44 3.334 -20.718 -9.187 1.00 70.55 H new ATOM 0 HA ALA A 44 4.698 -19.457 -11.310 1.00 2.10 H new ATOM 0 HB1 ALA A 44 3.472 -21.096 -12.698 1.00 31.43 H new ATOM 0 HB2 ALA A 44 4.173 -21.852 -11.247 1.00 31.43 H new ATOM 0 HB3 ALA A 44 2.433 -21.485 -11.306 1.00 31.43 H new ATOM 660 N SER A 45 1.791 -18.297 -10.728 1.00 12.22 N ATOM 661 CA SER A 45 0.784 -17.324 -11.136 1.00 31.12 C ATOM 662 C SER A 45 1.391 -15.929 -11.249 1.00 11.12 C ATOM 663 O SER A 45 1.575 -15.406 -12.348 1.00 53.30 O ATOM 664 CB SER A 45 -0.375 -17.309 -10.138 1.00 33.15 C ATOM 665 OG SER A 45 -1.439 -16.497 -10.603 1.00 71.25 O ATOM 0 H SER A 45 1.728 -18.585 -9.752 1.00 12.22 H new ATOM 0 HA SER A 45 0.407 -17.618 -12.116 1.00 31.12 H new ATOM 0 HB2 SER A 45 -0.733 -18.326 -9.977 1.00 33.15 H new ATOM 0 HB3 SER A 45 -0.025 -16.938 -9.175 1.00 33.15 H new ATOM 0 HG SER A 45 -2.168 -16.506 -9.948 1.00 71.25 H new ATOM 671 N LYS A 46 1.700 -15.331 -10.103 1.00 43.23 N ATOM 672 CA LYS A 46 2.288 -13.997 -10.071 1.00 12.25 C ATOM 673 C LYS A 46 3.598 -13.998 -9.289 1.00 70.34 C ATOM 674 O LYS A 46 4.366 -13.037 -9.342 1.00 60.13 O ATOM 675 CB LYS A 46 1.309 -13.001 -9.444 1.00 21.34 C ATOM 676 CG LYS A 46 0.752 -13.456 -8.106 1.00 23.44 C ATOM 677 CD LYS A 46 1.167 -12.521 -6.982 1.00 61.30 C ATOM 678 CE LYS A 46 0.028 -11.600 -6.574 1.00 55.04 C ATOM 679 NZ LYS A 46 -0.519 -10.846 -7.736 1.00 45.44 N ATOM 0 H LYS A 46 1.553 -15.749 -9.184 1.00 43.23 H new ATOM 0 HA LYS A 46 2.498 -13.695 -11.097 1.00 12.25 H new ATOM 0 HB2 LYS A 46 1.813 -12.044 -9.312 1.00 21.34 H new ATOM 0 HB3 LYS A 46 0.482 -12.833 -10.134 1.00 21.34 H new ATOM 0 HG2 LYS A 46 -0.336 -13.501 -8.160 1.00 23.44 H new ATOM 0 HG3 LYS A 46 1.102 -14.465 -7.889 1.00 23.44 H new ATOM 0 HD2 LYS A 46 1.489 -13.106 -6.121 1.00 61.30 H new ATOM 0 HD3 LYS A 46 2.022 -11.925 -7.300 1.00 61.30 H new ATOM 0 HE2 LYS A 46 -0.767 -12.187 -6.115 1.00 55.04 H new ATOM 0 HE3 LYS A 46 0.382 -10.898 -5.819 1.00 55.04 H new ATOM 0 HZ1 LYS A 46 -1.119 -10.068 -7.394 1.00 45.44 H new ATOM 0 HZ2 LYS A 46 0.265 -10.457 -8.298 1.00 45.44 H new ATOM 0 HZ3 LYS A 46 -1.086 -11.485 -8.329 1.00 45.44 H new ATOM 693 N THR A 47 3.849 -15.085 -8.565 1.00 52.40 N ATOM 694 CA THR A 47 5.066 -15.211 -7.773 1.00 71.25 C ATOM 695 C THR A 47 5.141 -14.129 -6.703 1.00 14.42 C ATOM 696 O THR A 47 5.406 -12.960 -6.985 1.00 24.01 O ATOM 697 CB THR A 47 6.323 -15.129 -8.659 1.00 43.34 C ATOM 698 OG1 THR A 47 5.958 -15.235 -10.040 1.00 12.12 O ATOM 699 CG2 THR A 47 7.309 -16.232 -8.304 1.00 52.31 C ATOM 0 H THR A 47 3.225 -15.890 -8.511 1.00 52.40 H new ATOM 0 HA THR A 47 5.031 -16.189 -7.294 1.00 71.25 H new ATOM 0 HB THR A 47 6.801 -14.165 -8.483 1.00 43.34 H new ATOM 0 HG1 THR A 47 5.461 -16.067 -10.184 1.00 12.12 H new ATOM 0 HG21 THR A 47 8.188 -16.153 -8.943 1.00 52.31 H new ATOM 0 HG22 THR A 47 7.608 -16.131 -7.261 1.00 52.31 H new ATOM 0 HG23 THR A 47 6.838 -17.203 -8.453 1.00 52.31 H new ATOM 707 N PRO A 48 4.902 -14.523 -5.443 1.00 75.34 N ATOM 708 CA PRO A 48 4.937 -13.601 -4.305 1.00 23.15 C ATOM 709 C PRO A 48 6.351 -13.123 -3.990 1.00 53.32 C ATOM 710 O PRO A 48 7.298 -13.441 -4.709 1.00 41.43 O ATOM 711 CB PRO A 48 4.388 -14.442 -3.149 1.00 63.35 C ATOM 712 CG PRO A 48 4.681 -15.851 -3.535 1.00 33.42 C ATOM 713 CD PRO A 48 4.578 -15.900 -5.034 1.00 64.52 C ATOM 0 HA PRO A 48 4.366 -12.693 -4.499 1.00 23.15 H new ATOM 0 HB2 PRO A 48 4.869 -14.181 -2.206 1.00 63.35 H new ATOM 0 HB3 PRO A 48 3.318 -14.282 -3.016 1.00 63.35 H new ATOM 0 HG2 PRO A 48 5.676 -16.148 -3.202 1.00 33.42 H new ATOM 0 HG3 PRO A 48 3.972 -16.538 -3.073 1.00 33.42 H new ATOM 0 HD2 PRO A 48 5.275 -16.621 -5.461 1.00 64.52 H new ATOM 0 HD3 PRO A 48 3.579 -16.191 -5.359 1.00 64.52 H new ATOM 721 N ASP A 49 6.485 -12.358 -2.912 1.00 43.15 N ATOM 722 CA ASP A 49 7.784 -11.837 -2.502 1.00 41.21 C ATOM 723 C ASP A 49 8.229 -12.463 -1.184 1.00 12.41 C ATOM 724 O ASP A 49 9.368 -12.284 -0.753 1.00 1.12 O ATOM 725 CB ASP A 49 7.726 -10.315 -2.365 1.00 4.45 C ATOM 726 CG ASP A 49 7.544 -9.619 -3.699 1.00 74.22 C ATOM 727 OD1 ASP A 49 8.033 -10.152 -4.717 1.00 54.11 O ATOM 728 OD2 ASP A 49 6.912 -8.542 -3.726 1.00 4.33 O ATOM 0 H ASP A 49 5.711 -12.085 -2.307 1.00 43.15 H new ATOM 0 HA ASP A 49 8.512 -12.097 -3.271 1.00 41.21 H new ATOM 0 HB2 ASP A 49 6.904 -10.044 -1.702 1.00 4.45 H new ATOM 0 HB3 ASP A 49 8.644 -9.960 -1.896 1.00 4.45 H new ATOM 733 N VAL A 50 7.322 -13.196 -0.547 1.00 75.30 N ATOM 734 CA VAL A 50 7.620 -13.849 0.722 1.00 11.22 C ATOM 735 C VAL A 50 6.449 -14.707 1.188 1.00 51.23 C ATOM 736 O VAL A 50 5.287 -14.348 0.994 1.00 35.14 O ATOM 737 CB VAL A 50 7.955 -12.819 1.818 1.00 71.05 C ATOM 738 CG1 VAL A 50 6.730 -11.984 2.158 1.00 41.20 C ATOM 739 CG2 VAL A 50 8.496 -13.517 3.056 1.00 10.54 C ATOM 0 H VAL A 50 6.374 -13.353 -0.889 1.00 75.30 H new ATOM 0 HA VAL A 50 8.488 -14.486 0.553 1.00 11.22 H new ATOM 0 HB VAL A 50 8.727 -12.149 1.440 1.00 71.05 H new ATOM 0 HG11 VAL A 50 6.986 -11.262 2.934 1.00 41.20 H new ATOM 0 HG12 VAL A 50 6.392 -11.455 1.267 1.00 41.20 H new ATOM 0 HG13 VAL A 50 5.934 -12.636 2.517 1.00 41.20 H new ATOM 0 HG21 VAL A 50 8.728 -12.775 3.820 1.00 10.54 H new ATOM 0 HG22 VAL A 50 7.748 -14.211 3.439 1.00 10.54 H new ATOM 0 HG23 VAL A 50 9.401 -14.066 2.798 1.00 10.54 H new ATOM 749 N LEU A 51 6.762 -15.842 1.803 1.00 42.14 N ATOM 750 CA LEU A 51 5.736 -16.753 2.297 1.00 14.34 C ATOM 751 C LEU A 51 6.095 -17.277 3.684 1.00 11.41 C ATOM 752 O LEU A 51 7.237 -17.154 4.129 1.00 12.34 O ATOM 753 CB LEU A 51 5.554 -17.923 1.329 1.00 42.31 C ATOM 754 CG LEU A 51 4.118 -18.220 0.897 1.00 51.23 C ATOM 755 CD1 LEU A 51 4.052 -18.467 -0.602 1.00 72.04 C ATOM 756 CD2 LEU A 51 3.567 -19.415 1.661 1.00 65.10 C ATOM 0 H LEU A 51 7.719 -16.153 1.971 1.00 42.14 H new ATOM 0 HA LEU A 51 4.799 -16.200 2.368 1.00 14.34 H new ATOM 0 HB2 LEU A 51 6.147 -17.725 0.436 1.00 42.31 H new ATOM 0 HB3 LEU A 51 5.965 -18.820 1.793 1.00 42.31 H new ATOM 0 HG LEU A 51 3.502 -17.351 1.129 1.00 51.23 H new ATOM 0 HD11 LEU A 51 3.022 -18.677 -0.891 1.00 72.04 H new ATOM 0 HD12 LEU A 51 4.405 -17.583 -1.132 1.00 72.04 H new ATOM 0 HD13 LEU A 51 4.682 -19.319 -0.858 1.00 72.04 H new ATOM 0 HD21 LEU A 51 2.544 -19.612 1.340 1.00 65.10 H new ATOM 0 HD22 LEU A 51 4.185 -20.291 1.461 1.00 65.10 H new ATOM 0 HD23 LEU A 51 3.577 -19.200 2.730 1.00 65.10 H new ATOM 768 N LEU A 52 5.114 -17.863 4.362 1.00 42.14 N ATOM 769 CA LEU A 52 5.327 -18.408 5.698 1.00 61.52 C ATOM 770 C LEU A 52 4.676 -19.781 5.835 1.00 23.15 C ATOM 771 O LEU A 52 3.878 -20.012 6.743 1.00 34.22 O ATOM 772 CB LEU A 52 4.764 -17.456 6.754 1.00 24.35 C ATOM 773 CG LEU A 52 4.754 -15.973 6.384 1.00 55.13 C ATOM 774 CD1 LEU A 52 3.375 -15.554 5.898 1.00 74.24 C ATOM 775 CD2 LEU A 52 5.183 -15.123 7.571 1.00 63.32 C ATOM 0 H LEU A 52 4.164 -17.973 4.008 1.00 42.14 H new ATOM 0 HA LEU A 52 6.400 -18.518 5.853 1.00 61.52 H new ATOM 0 HB2 LEU A 52 3.742 -17.760 6.980 1.00 24.35 H new ATOM 0 HB3 LEU A 52 5.343 -17.578 7.669 1.00 24.35 H new ATOM 0 HG LEU A 52 5.467 -15.816 5.574 1.00 55.13 H new ATOM 0 HD11 LEU A 52 3.387 -14.495 5.639 1.00 74.24 H new ATOM 0 HD12 LEU A 52 3.106 -16.140 5.019 1.00 74.24 H new ATOM 0 HD13 LEU A 52 2.643 -15.726 6.687 1.00 74.24 H new ATOM 0 HD21 LEU A 52 5.170 -14.070 7.288 1.00 63.32 H new ATOM 0 HD22 LEU A 52 4.496 -15.284 8.401 1.00 63.32 H new ATOM 0 HD23 LEU A 52 6.191 -15.404 7.875 1.00 63.32 H new ATOM 787 N SER A 53 5.025 -20.689 4.930 1.00 61.32 N ATOM 788 CA SER A 53 4.474 -22.039 4.949 1.00 33.11 C ATOM 789 C SER A 53 4.612 -22.663 6.335 1.00 44.34 C ATOM 790 O SER A 53 5.631 -22.494 7.004 1.00 5.44 O ATOM 791 CB SER A 53 5.177 -22.915 3.910 1.00 10.14 C ATOM 792 OG SER A 53 6.176 -22.185 3.220 1.00 51.42 O ATOM 0 H SER A 53 5.687 -20.515 4.174 1.00 61.32 H new ATOM 0 HA SER A 53 3.414 -21.975 4.702 1.00 33.11 H new ATOM 0 HB2 SER A 53 5.627 -23.778 4.401 1.00 10.14 H new ATOM 0 HB3 SER A 53 4.446 -23.299 3.199 1.00 10.14 H new ATOM 0 HG SER A 53 6.164 -22.430 2.271 1.00 51.42 H new ATOM 798 N ASP A 54 3.580 -23.384 6.758 1.00 62.15 N ATOM 799 CA ASP A 54 3.586 -24.035 8.063 1.00 53.34 C ATOM 800 C ASP A 54 3.705 -25.548 7.915 1.00 61.32 C ATOM 801 O ASP A 54 3.378 -26.107 6.867 1.00 22.03 O ATOM 802 CB ASP A 54 2.314 -23.684 8.836 1.00 33.23 C ATOM 803 CG ASP A 54 2.525 -23.703 10.337 1.00 5.44 C ATOM 804 OD1 ASP A 54 2.905 -24.766 10.870 1.00 70.55 O ATOM 805 OD2 ASP A 54 2.311 -22.653 10.980 1.00 31.42 O ATOM 0 H ASP A 54 2.729 -23.533 6.216 1.00 62.15 H new ATOM 0 HA ASP A 54 4.451 -23.674 8.619 1.00 53.34 H new ATOM 0 HB2 ASP A 54 1.969 -22.695 8.533 1.00 33.23 H new ATOM 0 HB3 ASP A 54 1.526 -24.390 8.574 1.00 33.23 H new ATOM 810 N ILE A 55 4.176 -26.205 8.969 1.00 21.33 N ATOM 811 CA ILE A 55 4.339 -27.654 8.956 1.00 15.22 C ATOM 812 C ILE A 55 3.487 -28.312 10.037 1.00 64.13 C ATOM 813 O ILE A 55 3.826 -28.271 11.219 1.00 4.55 O ATOM 814 CB ILE A 55 5.811 -28.057 9.161 1.00 33.15 C ATOM 815 CG1 ILE A 55 6.684 -27.465 8.053 1.00 13.54 C ATOM 816 CG2 ILE A 55 5.945 -29.572 9.196 1.00 71.10 C ATOM 817 CD1 ILE A 55 8.127 -27.269 8.461 1.00 63.21 C ATOM 0 H ILE A 55 4.452 -25.757 9.843 1.00 21.33 H new ATOM 0 HA ILE A 55 4.010 -28.000 7.976 1.00 15.22 H new ATOM 0 HB ILE A 55 6.151 -27.659 10.117 1.00 33.15 H new ATOM 0 HG12 ILE A 55 6.647 -28.120 7.183 1.00 13.54 H new ATOM 0 HG13 ILE A 55 6.268 -26.505 7.747 1.00 13.54 H new ATOM 0 HG21 ILE A 55 6.991 -29.841 9.341 1.00 71.10 H new ATOM 0 HG22 ILE A 55 5.350 -29.971 10.017 1.00 71.10 H new ATOM 0 HG23 ILE A 55 5.590 -29.991 8.254 1.00 71.10 H new ATOM 0 HD11 ILE A 55 8.687 -26.846 7.627 1.00 63.21 H new ATOM 0 HD12 ILE A 55 8.175 -26.590 9.312 1.00 63.21 H new ATOM 0 HD13 ILE A 55 8.560 -28.230 8.739 1.00 63.21 H new ATOM 920 N GLY A 62 5.237 -30.044 4.749 1.00 35.04 N ATOM 921 CA GLY A 62 5.794 -28.755 4.384 1.00 63.11 C ATOM 922 C GLY A 62 7.192 -28.870 3.808 1.00 73.41 C ATOM 923 O GLY A 62 7.392 -28.696 2.605 1.00 11.11 O ATOM 0 HA2 GLY A 62 5.142 -28.274 3.655 1.00 63.11 H new ATOM 0 HA3 GLY A 62 5.818 -28.111 5.263 1.00 63.11 H new ATOM 927 N LEU A 63 8.162 -29.163 4.667 1.00 34.21 N ATOM 928 CA LEU A 63 9.549 -29.300 4.237 1.00 31.03 C ATOM 929 C LEU A 63 9.642 -30.104 2.944 1.00 33.14 C ATOM 930 O LEU A 63 10.520 -29.867 2.116 1.00 51.52 O ATOM 931 CB LEU A 63 10.378 -29.974 5.331 1.00 23.54 C ATOM 932 CG LEU A 63 11.660 -30.670 4.870 1.00 53.31 C ATOM 933 CD1 LEU A 63 11.331 -31.946 4.111 1.00 51.34 C ATOM 934 CD2 LEU A 63 12.493 -29.733 4.007 1.00 25.44 C ATOM 0 H LEU A 63 8.014 -29.310 5.665 1.00 34.21 H new ATOM 0 HA LEU A 63 9.946 -28.302 4.051 1.00 31.03 H new ATOM 0 HB2 LEU A 63 10.644 -29.221 6.073 1.00 23.54 H new ATOM 0 HB3 LEU A 63 9.750 -30.709 5.834 1.00 23.54 H new ATOM 0 HG LEU A 63 12.244 -30.937 5.751 1.00 53.31 H new ATOM 0 HD11 LEU A 63 12.255 -32.427 3.791 1.00 51.34 H new ATOM 0 HD12 LEU A 63 10.775 -32.623 4.760 1.00 51.34 H new ATOM 0 HD13 LEU A 63 10.726 -31.704 3.237 1.00 51.34 H new ATOM 0 HD21 LEU A 63 13.401 -30.244 3.688 1.00 25.44 H new ATOM 0 HD22 LEU A 63 11.916 -29.436 3.131 1.00 25.44 H new ATOM 0 HD23 LEU A 63 12.759 -28.847 4.584 1.00 25.44 H new ATOM 946 N ALA A 64 8.728 -31.055 2.778 1.00 23.13 N ATOM 947 CA ALA A 64 8.705 -31.891 1.585 1.00 75.24 C ATOM 948 C ALA A 64 8.808 -31.046 0.320 1.00 50.41 C ATOM 949 O ALA A 64 9.758 -31.179 -0.452 1.00 44.24 O ATOM 950 CB ALA A 64 7.438 -32.734 1.556 1.00 62.30 C ATOM 0 H ALA A 64 7.994 -31.265 3.455 1.00 23.13 H new ATOM 0 HA ALA A 64 9.570 -32.554 1.619 1.00 75.24 H new ATOM 0 HB1 ALA A 64 7.434 -33.354 0.659 1.00 62.30 H new ATOM 0 HB2 ALA A 64 7.406 -33.373 2.439 1.00 62.30 H new ATOM 0 HB3 ALA A 64 6.566 -32.080 1.549 1.00 62.30 H new ATOM 956 N LEU A 65 7.825 -30.176 0.113 1.00 20.31 N ATOM 957 CA LEU A 65 7.805 -29.309 -1.059 1.00 41.44 C ATOM 958 C LEU A 65 8.583 -28.023 -0.799 1.00 5.03 C ATOM 959 O LEU A 65 9.072 -27.380 -1.729 1.00 73.43 O ATOM 960 CB LEU A 65 6.363 -28.976 -1.447 1.00 44.44 C ATOM 961 CG LEU A 65 5.813 -27.653 -0.914 1.00 2.53 C ATOM 962 CD1 LEU A 65 4.476 -27.330 -1.562 1.00 34.53 C ATOM 963 CD2 LEU A 65 5.675 -27.704 0.601 1.00 64.51 C ATOM 0 H LEU A 65 7.032 -30.053 0.742 1.00 20.31 H new ATOM 0 HA LEU A 65 8.283 -29.841 -1.882 1.00 41.44 H new ATOM 0 HB2 LEU A 65 6.294 -28.963 -2.535 1.00 44.44 H new ATOM 0 HB3 LEU A 65 5.718 -29.782 -1.097 1.00 44.44 H new ATOM 0 HG LEU A 65 6.517 -26.861 -1.168 1.00 2.53 H new ATOM 0 HD11 LEU A 65 4.101 -26.385 -1.170 1.00 34.53 H new ATOM 0 HD12 LEU A 65 4.605 -27.250 -2.641 1.00 34.53 H new ATOM 0 HD13 LEU A 65 3.763 -28.124 -1.340 1.00 34.53 H new ATOM 0 HD21 LEU A 65 5.282 -26.754 0.963 1.00 64.51 H new ATOM 0 HD22 LEU A 65 4.992 -28.508 0.877 1.00 64.51 H new ATOM 0 HD23 LEU A 65 6.651 -27.887 1.049 1.00 64.51 H new ATOM 975 N LEU A 66 8.697 -27.654 0.472 1.00 24.14 N ATOM 976 CA LEU A 66 9.419 -26.446 0.857 1.00 40.13 C ATOM 977 C LEU A 66 10.822 -26.437 0.259 1.00 4.52 C ATOM 978 O LEU A 66 11.295 -25.409 -0.229 1.00 34.52 O ATOM 979 CB LEU A 66 9.500 -26.340 2.381 1.00 45.35 C ATOM 980 CG LEU A 66 9.492 -24.923 2.956 1.00 33.21 C ATOM 981 CD1 LEU A 66 10.417 -24.017 2.159 1.00 71.25 C ATOM 982 CD2 LEU A 66 8.077 -24.363 2.972 1.00 0.31 C ATOM 0 H LEU A 66 8.299 -28.174 1.254 1.00 24.14 H new ATOM 0 HA LEU A 66 8.873 -25.586 0.468 1.00 40.13 H new ATOM 0 HB2 LEU A 66 8.661 -26.889 2.809 1.00 45.35 H new ATOM 0 HB3 LEU A 66 10.410 -26.840 2.712 1.00 45.35 H new ATOM 0 HG LEU A 66 9.857 -24.966 3.982 1.00 33.21 H new ATOM 0 HD11 LEU A 66 10.398 -23.013 2.583 1.00 71.25 H new ATOM 0 HD12 LEU A 66 11.433 -24.409 2.199 1.00 71.25 H new ATOM 0 HD13 LEU A 66 10.084 -23.979 1.122 1.00 71.25 H new ATOM 0 HD21 LEU A 66 8.090 -23.354 3.384 1.00 0.31 H new ATOM 0 HD22 LEU A 66 7.685 -24.335 1.955 1.00 0.31 H new ATOM 0 HD23 LEU A 66 7.441 -24.999 3.588 1.00 0.31 H new ATOM 994 N LYS A 67 11.484 -27.588 0.299 1.00 44.11 N ATOM 995 CA LYS A 67 12.833 -27.715 -0.241 1.00 53.24 C ATOM 996 C LYS A 67 12.892 -27.211 -1.680 1.00 70.51 C ATOM 997 O LYS A 67 13.935 -26.751 -2.143 1.00 21.01 O ATOM 998 CB LYS A 67 13.294 -29.173 -0.181 1.00 15.14 C ATOM 999 CG LYS A 67 14.687 -29.347 0.397 1.00 4.43 C ATOM 1000 CD LYS A 67 14.770 -28.822 1.821 1.00 42.21 C ATOM 1001 CE LYS A 67 15.421 -29.834 2.751 1.00 21.01 C ATOM 1002 NZ LYS A 67 16.754 -30.270 2.251 1.00 42.02 N ATOM 0 H LYS A 67 11.108 -28.447 0.700 1.00 44.11 H new ATOM 0 HA LYS A 67 13.500 -27.104 0.368 1.00 53.24 H new ATOM 0 HB2 LYS A 67 12.587 -29.745 0.420 1.00 15.14 H new ATOM 0 HB3 LYS A 67 13.272 -29.594 -1.186 1.00 15.14 H new ATOM 0 HG2 LYS A 67 14.959 -30.402 0.381 1.00 4.43 H new ATOM 0 HG3 LYS A 67 15.409 -28.822 -0.228 1.00 4.43 H new ATOM 0 HD2 LYS A 67 15.341 -27.894 1.835 1.00 42.21 H new ATOM 0 HD3 LYS A 67 13.769 -28.586 2.182 1.00 42.21 H new ATOM 0 HE2 LYS A 67 15.531 -29.397 3.744 1.00 21.01 H new ATOM 0 HE3 LYS A 67 14.770 -30.702 2.855 1.00 21.01 H new ATOM 0 HZ1 LYS A 67 17.329 -30.612 3.048 1.00 42.02 H new ATOM 0 HZ2 LYS A 67 16.631 -31.036 1.559 1.00 42.02 H new ATOM 0 HZ3 LYS A 67 17.234 -29.467 1.797 1.00 42.02 H new ATOM 1016 N GLN A 68 11.766 -27.302 -2.381 1.00 0.54 N ATOM 1017 CA GLN A 68 11.691 -26.854 -3.766 1.00 62.14 C ATOM 1018 C GLN A 68 11.685 -25.331 -3.847 1.00 72.21 C ATOM 1019 O GLN A 68 12.296 -24.745 -4.741 1.00 2.12 O ATOM 1020 CB GLN A 68 10.439 -27.418 -4.439 1.00 54.35 C ATOM 1021 CG GLN A 68 10.730 -28.200 -5.710 1.00 42.31 C ATOM 1022 CD GLN A 68 10.165 -27.532 -6.949 1.00 24.44 C ATOM 1023 OE1 GLN A 68 10.847 -27.408 -7.966 1.00 43.43 O ATOM 1024 NE2 GLN A 68 8.913 -27.099 -6.869 1.00 33.21 N ATOM 0 H GLN A 68 10.894 -27.682 -2.012 1.00 0.54 H new ATOM 0 HA GLN A 68 12.573 -27.223 -4.289 1.00 62.14 H new ATOM 0 HB2 GLN A 68 9.919 -28.067 -3.734 1.00 54.35 H new ATOM 0 HB3 GLN A 68 9.762 -26.597 -4.675 1.00 54.35 H new ATOM 0 HG2 GLN A 68 11.808 -28.314 -5.823 1.00 42.31 H new ATOM 0 HG3 GLN A 68 10.311 -29.202 -5.619 1.00 42.31 H new ATOM 0 HE21 GLN A 68 8.385 -27.223 -6.005 1.00 33.21 H new ATOM 0 HE22 GLN A 68 8.479 -26.642 -7.671 1.00 33.21 H new ATOM 1033 N ILE A 69 10.990 -24.697 -2.909 1.00 11.11 N ATOM 1034 CA ILE A 69 10.905 -23.242 -2.874 1.00 71.21 C ATOM 1035 C ILE A 69 12.290 -22.609 -2.953 1.00 13.43 C ATOM 1036 O ILE A 69 12.446 -21.491 -3.444 1.00 4.51 O ATOM 1037 CB ILE A 69 10.199 -22.750 -1.597 1.00 1.12 C ATOM 1038 CG1 ILE A 69 8.797 -23.354 -1.497 1.00 61.53 C ATOM 1039 CG2 ILE A 69 10.129 -21.230 -1.583 1.00 33.21 C ATOM 1040 CD1 ILE A 69 8.074 -22.995 -0.218 1.00 74.34 C ATOM 0 H ILE A 69 10.478 -25.168 -2.163 1.00 11.11 H new ATOM 0 HA ILE A 69 10.320 -22.939 -3.742 1.00 71.21 H new ATOM 0 HB ILE A 69 10.777 -23.076 -0.732 1.00 1.12 H new ATOM 0 HG12 ILE A 69 8.204 -23.017 -2.347 1.00 61.53 H new ATOM 0 HG13 ILE A 69 8.872 -24.439 -1.570 1.00 61.53 H new ATOM 0 HG21 ILE A 69 9.627 -20.897 -0.674 1.00 33.21 H new ATOM 0 HG22 ILE A 69 11.138 -20.819 -1.612 1.00 33.21 H new ATOM 0 HG23 ILE A 69 9.571 -20.883 -2.453 1.00 33.21 H new ATOM 0 HD11 ILE A 69 7.087 -23.457 -0.216 1.00 74.34 H new ATOM 0 HD12 ILE A 69 8.646 -23.356 0.637 1.00 74.34 H new ATOM 0 HD13 ILE A 69 7.967 -21.912 -0.152 1.00 74.34 H new ATOM 1052 N LYS A 70 13.293 -23.331 -2.467 1.00 23.31 N ATOM 1053 CA LYS A 70 14.667 -22.843 -2.484 1.00 50.32 C ATOM 1054 C LYS A 70 15.282 -22.998 -3.871 1.00 63.12 C ATOM 1055 O LYS A 70 16.032 -22.135 -4.327 1.00 54.11 O ATOM 1056 CB LYS A 70 15.511 -23.596 -1.453 1.00 52.40 C ATOM 1057 CG LYS A 70 15.715 -22.829 -0.158 1.00 21.12 C ATOM 1058 CD LYS A 70 14.743 -23.283 0.918 1.00 13.20 C ATOM 1059 CE LYS A 70 13.487 -22.424 0.933 1.00 64.02 C ATOM 1060 NZ LYS A 70 13.776 -21.027 1.361 1.00 31.31 N ATOM 0 H LYS A 70 13.180 -24.258 -2.056 1.00 23.31 H new ATOM 0 HA LYS A 70 14.653 -21.784 -2.228 1.00 50.32 H new ATOM 0 HB2 LYS A 70 15.032 -24.549 -1.229 1.00 52.40 H new ATOM 0 HB3 LYS A 70 16.484 -23.823 -1.888 1.00 52.40 H new ATOM 0 HG2 LYS A 70 16.738 -22.969 0.192 1.00 21.12 H new ATOM 0 HG3 LYS A 70 15.584 -21.763 -0.341 1.00 21.12 H new ATOM 0 HD2 LYS A 70 14.471 -24.325 0.748 1.00 13.20 H new ATOM 0 HD3 LYS A 70 15.229 -23.236 1.892 1.00 13.20 H new ATOM 0 HE2 LYS A 70 13.042 -22.414 -0.062 1.00 64.02 H new ATOM 0 HE3 LYS A 70 12.753 -22.866 1.607 1.00 64.02 H new ATOM 0 HZ1 LYS A 70 13.242 -20.812 2.227 1.00 31.31 H new ATOM 0 HZ2 LYS A 70 14.794 -20.924 1.547 1.00 31.31 H new ATOM 0 HZ3 LYS A 70 13.493 -20.368 0.608 1.00 31.31 H new ATOM 1074 N GLN A 71 14.960 -24.102 -4.537 1.00 35.44 N ATOM 1075 CA GLN A 71 15.481 -24.369 -5.872 1.00 13.00 C ATOM 1076 C GLN A 71 14.766 -23.517 -6.915 1.00 53.05 C ATOM 1077 O GLN A 71 15.403 -22.804 -7.691 1.00 73.12 O ATOM 1078 CB GLN A 71 15.328 -25.852 -6.215 1.00 41.24 C ATOM 1079 CG GLN A 71 15.817 -26.207 -7.610 1.00 40.44 C ATOM 1080 CD GLN A 71 17.064 -27.068 -7.590 1.00 44.10 C ATOM 1081 OE1 GLN A 71 18.185 -26.558 -7.613 1.00 21.31 O ATOM 1082 NE2 GLN A 71 16.876 -28.382 -7.547 1.00 3.34 N ATOM 0 H GLN A 71 14.340 -24.826 -4.174 1.00 35.44 H new ATOM 0 HA GLN A 71 16.540 -24.109 -5.881 1.00 13.00 H new ATOM 0 HB2 GLN A 71 15.879 -26.444 -5.484 1.00 41.24 H new ATOM 0 HB3 GLN A 71 14.278 -26.131 -6.125 1.00 41.24 H new ATOM 0 HG2 GLN A 71 15.026 -26.732 -8.145 1.00 40.44 H new ATOM 0 HG3 GLN A 71 16.022 -25.290 -8.163 1.00 40.44 H new ATOM 0 HE21 GLN A 71 15.929 -28.761 -7.529 1.00 3.34 H new ATOM 0 HE22 GLN A 71 17.678 -29.012 -7.532 1.00 3.34 H new ATOM 1091 N ARG A 72 13.439 -23.596 -6.929 1.00 22.21 N ATOM 1092 CA ARG A 72 12.638 -22.833 -7.878 1.00 72.53 C ATOM 1093 C ARG A 72 12.830 -21.334 -7.670 1.00 74.05 C ATOM 1094 O ARG A 72 13.230 -20.616 -8.587 1.00 52.32 O ATOM 1095 CB ARG A 72 11.158 -23.194 -7.735 1.00 0.14 C ATOM 1096 CG ARG A 72 10.303 -22.735 -8.904 1.00 51.33 C ATOM 1097 CD ARG A 72 8.926 -23.379 -8.874 1.00 71.24 C ATOM 1098 NE ARG A 72 8.274 -23.338 -10.181 1.00 20.43 N ATOM 1099 CZ ARG A 72 8.554 -24.182 -11.168 1.00 51.53 C ATOM 1100 NH1 ARG A 72 9.469 -25.126 -10.999 1.00 34.33 N ATOM 1101 NH2 ARG A 72 7.918 -24.081 -12.328 1.00 51.15 N ATOM 0 H ARG A 72 12.896 -24.181 -6.294 1.00 22.21 H new ATOM 0 HA ARG A 72 12.971 -23.088 -8.884 1.00 72.53 H new ATOM 0 HB2 ARG A 72 11.065 -24.275 -7.630 1.00 0.14 H new ATOM 0 HB3 ARG A 72 10.772 -22.751 -6.817 1.00 0.14 H new ATOM 0 HG2 ARG A 72 10.199 -21.650 -8.876 1.00 51.33 H new ATOM 0 HG3 ARG A 72 10.802 -22.984 -9.841 1.00 51.33 H new ATOM 0 HD2 ARG A 72 9.017 -24.415 -8.547 1.00 71.24 H new ATOM 0 HD3 ARG A 72 8.302 -22.867 -8.141 1.00 71.24 H new ATOM 0 HE ARG A 72 7.566 -22.623 -10.344 1.00 20.43 H new ATOM 0 HH11 ARG A 72 9.961 -25.206 -10.109 1.00 34.33 H new ATOM 0 HH12 ARG A 72 9.681 -25.772 -11.759 1.00 34.33 H new ATOM 0 HH21 ARG A 72 7.214 -23.355 -12.462 1.00 51.15 H new ATOM 0 HH22 ARG A 72 8.133 -24.729 -13.086 1.00 51.15 H new ATOM 1115 N HIS A 73 12.541 -20.868 -6.460 1.00 11.15 N ATOM 1116 CA HIS A 73 12.682 -19.454 -6.131 1.00 53.31 C ATOM 1117 C HIS A 73 13.787 -19.243 -5.101 1.00 1.31 C ATOM 1118 O HIS A 73 13.532 -19.038 -3.914 1.00 21.31 O ATOM 1119 CB HIS A 73 11.360 -18.898 -5.600 1.00 3.15 C ATOM 1120 CG HIS A 73 10.160 -19.385 -6.351 1.00 31.51 C ATOM 1121 ND1 HIS A 73 9.557 -18.662 -7.358 1.00 45.32 N ATOM 1122 CD2 HIS A 73 9.451 -20.533 -6.238 1.00 52.13 C ATOM 1123 CE1 HIS A 73 8.529 -19.342 -7.831 1.00 73.14 C ATOM 1124 NE2 HIS A 73 8.442 -20.482 -7.169 1.00 45.50 N ATOM 0 H HIS A 73 12.208 -21.449 -5.691 1.00 11.15 H new ATOM 0 HA HIS A 73 12.952 -18.920 -7.042 1.00 53.31 H new ATOM 0 HB2 HIS A 73 11.256 -19.171 -4.550 1.00 3.15 H new ATOM 0 HB3 HIS A 73 11.389 -17.809 -5.645 1.00 3.15 H new ATOM 0 HD1 HIS A 73 9.858 -17.745 -7.686 1.00 45.32 H new ATOM 0 HD2 HIS A 73 9.643 -21.339 -5.545 1.00 52.13 H new ATOM 0 HE1 HIS A 73 7.871 -19.021 -8.625 1.00 73.14 H new ATOM 1132 N PRO A 74 15.045 -19.294 -5.563 1.00 42.32 N ATOM 1133 CA PRO A 74 16.214 -19.111 -4.698 1.00 44.31 C ATOM 1134 C PRO A 74 16.350 -17.675 -4.203 1.00 44.23 C ATOM 1135 O PRO A 74 17.137 -17.392 -3.300 1.00 52.40 O ATOM 1136 CB PRO A 74 17.390 -19.476 -5.608 1.00 73.22 C ATOM 1137 CG PRO A 74 16.894 -19.219 -6.989 1.00 75.32 C ATOM 1138 CD PRO A 74 15.423 -19.533 -6.966 1.00 62.31 C ATOM 0 HA PRO A 74 16.151 -19.718 -3.795 1.00 44.31 H new ATOM 0 HB2 PRO A 74 18.268 -18.870 -5.383 1.00 73.22 H new ATOM 0 HB3 PRO A 74 17.681 -20.518 -5.480 1.00 73.22 H new ATOM 0 HG2 PRO A 74 17.067 -18.183 -7.279 1.00 75.32 H new ATOM 0 HG3 PRO A 74 17.415 -19.845 -7.714 1.00 75.32 H new ATOM 0 HD2 PRO A 74 14.864 -18.891 -7.648 1.00 62.31 H new ATOM 0 HD3 PRO A 74 15.227 -20.563 -7.265 1.00 62.31 H new ATOM 1146 N MET A 75 15.579 -16.772 -4.801 1.00 31.45 N ATOM 1147 CA MET A 75 15.613 -15.365 -4.418 1.00 71.43 C ATOM 1148 C MET A 75 14.363 -14.986 -3.630 1.00 4.01 C ATOM 1149 O MET A 75 14.229 -13.852 -3.169 1.00 13.24 O ATOM 1150 CB MET A 75 15.735 -14.480 -5.660 1.00 71.32 C ATOM 1151 CG MET A 75 16.376 -13.130 -5.383 1.00 60.15 C ATOM 1152 SD MET A 75 15.709 -11.818 -6.424 1.00 53.15 S ATOM 1153 CE MET A 75 14.098 -11.579 -5.678 1.00 21.42 C ATOM 0 H MET A 75 14.924 -16.989 -5.552 1.00 31.45 H new ATOM 0 HA MET A 75 16.484 -15.208 -3.781 1.00 71.43 H new ATOM 0 HB2 MET A 75 16.323 -15.004 -6.414 1.00 71.32 H new ATOM 0 HB3 MET A 75 14.743 -14.322 -6.083 1.00 71.32 H new ATOM 0 HG2 MET A 75 16.226 -12.869 -4.335 1.00 60.15 H new ATOM 0 HG3 MET A 75 17.452 -13.203 -5.542 1.00 60.15 H new ATOM 0 HE1 MET A 75 13.680 -10.630 -6.012 1.00 21.42 H new ATOM 0 HE2 MET A 75 13.435 -12.392 -5.975 1.00 21.42 H new ATOM 0 HE3 MET A 75 14.197 -11.570 -4.593 1.00 21.42 H new ATOM 1163 N LEU A 76 13.452 -15.941 -3.479 1.00 40.40 N ATOM 1164 CA LEU A 76 12.213 -15.706 -2.746 1.00 74.21 C ATOM 1165 C LEU A 76 12.345 -16.156 -1.295 1.00 11.14 C ATOM 1166 O LEU A 76 12.529 -17.337 -0.999 1.00 43.23 O ATOM 1167 CB LEU A 76 11.053 -16.444 -3.417 1.00 31.30 C ATOM 1168 CG LEU A 76 9.686 -16.294 -2.749 1.00 54.02 C ATOM 1169 CD1 LEU A 76 9.111 -14.911 -3.014 1.00 43.11 C ATOM 1170 CD2 LEU A 76 8.731 -17.373 -3.240 1.00 10.23 C ATOM 0 H LEU A 76 13.548 -16.885 -3.854 1.00 40.40 H new ATOM 0 HA LEU A 76 12.010 -14.635 -2.758 1.00 74.21 H new ATOM 0 HB2 LEU A 76 10.973 -16.094 -4.446 1.00 31.30 H new ATOM 0 HB3 LEU A 76 11.300 -17.505 -3.460 1.00 31.30 H new ATOM 0 HG LEU A 76 9.814 -16.412 -1.673 1.00 54.02 H new ATOM 0 HD11 LEU A 76 8.138 -14.823 -2.531 1.00 43.11 H new ATOM 0 HD12 LEU A 76 9.785 -14.154 -2.613 1.00 43.11 H new ATOM 0 HD13 LEU A 76 8.997 -14.764 -4.088 1.00 43.11 H new ATOM 0 HD21 LEU A 76 7.763 -17.251 -2.754 1.00 10.23 H new ATOM 0 HD22 LEU A 76 8.608 -17.287 -4.320 1.00 10.23 H new ATOM 0 HD23 LEU A 76 9.137 -18.355 -2.998 1.00 10.23 H new ATOM 1182 N PRO A 77 12.247 -15.194 -0.365 1.00 53.44 N ATOM 1183 CA PRO A 77 12.350 -15.467 1.071 1.00 13.11 C ATOM 1184 C PRO A 77 11.146 -16.239 1.602 1.00 4.52 C ATOM 1185 O PRO A 77 10.019 -16.040 1.149 1.00 43.43 O ATOM 1186 CB PRO A 77 12.407 -14.070 1.695 1.00 72.13 C ATOM 1187 CG PRO A 77 11.723 -13.187 0.709 1.00 11.00 C ATOM 1188 CD PRO A 77 12.027 -13.765 -0.646 1.00 0.25 C ATOM 0 HA PRO A 77 13.213 -16.089 1.307 1.00 13.11 H new ATOM 0 HB2 PRO A 77 11.905 -14.047 2.662 1.00 72.13 H new ATOM 0 HB3 PRO A 77 13.436 -13.753 1.863 1.00 72.13 H new ATOM 0 HG2 PRO A 77 10.648 -13.160 0.889 1.00 11.00 H new ATOM 0 HG3 PRO A 77 12.085 -12.162 0.786 1.00 11.00 H new ATOM 0 HD2 PRO A 77 11.201 -13.615 -1.342 1.00 0.25 H new ATOM 0 HD3 PRO A 77 12.908 -13.303 -1.092 1.00 0.25 H new ATOM 1196 N VAL A 78 11.393 -17.120 2.566 1.00 12.23 N ATOM 1197 CA VAL A 78 10.329 -17.920 3.160 1.00 30.54 C ATOM 1198 C VAL A 78 10.591 -18.170 4.641 1.00 31.43 C ATOM 1199 O VAL A 78 11.741 -18.234 5.076 1.00 21.43 O ATOM 1200 CB VAL A 78 10.177 -19.274 2.442 1.00 61.24 C ATOM 1201 CG1 VAL A 78 9.147 -20.142 3.149 1.00 51.35 C ATOM 1202 CG2 VAL A 78 9.798 -19.063 0.984 1.00 61.15 C ATOM 0 H VAL A 78 12.320 -17.298 2.952 1.00 12.23 H new ATOM 0 HA VAL A 78 9.406 -17.352 3.048 1.00 30.54 H new ATOM 0 HB VAL A 78 11.135 -19.792 2.474 1.00 61.24 H new ATOM 0 HG11 VAL A 78 9.054 -21.094 2.627 1.00 51.35 H new ATOM 0 HG12 VAL A 78 9.465 -20.321 4.176 1.00 51.35 H new ATOM 0 HG13 VAL A 78 8.183 -19.634 3.151 1.00 51.35 H new ATOM 0 HG21 VAL A 78 9.695 -20.030 0.491 1.00 61.15 H new ATOM 0 HG22 VAL A 78 8.852 -18.524 0.928 1.00 61.15 H new ATOM 0 HG23 VAL A 78 10.575 -18.483 0.486 1.00 61.15 H new ATOM 1212 N ILE A 79 9.517 -18.311 5.411 1.00 71.31 N ATOM 1213 CA ILE A 79 9.631 -18.556 6.843 1.00 31.12 C ATOM 1214 C ILE A 79 8.896 -19.831 7.243 1.00 1.03 C ATOM 1215 O ILE A 79 7.771 -20.075 6.805 1.00 5.40 O ATOM 1216 CB ILE A 79 9.073 -17.377 7.662 1.00 51.00 C ATOM 1217 CG1 ILE A 79 9.703 -16.062 7.198 1.00 71.11 C ATOM 1218 CG2 ILE A 79 9.325 -17.597 9.146 1.00 12.52 C ATOM 1219 CD1 ILE A 79 8.837 -14.850 7.464 1.00 62.44 C ATOM 0 H ILE A 79 8.558 -18.260 5.067 1.00 71.31 H new ATOM 0 HA ILE A 79 10.693 -18.668 7.060 1.00 31.12 H new ATOM 0 HB ILE A 79 7.997 -17.319 7.501 1.00 51.00 H new ATOM 0 HG12 ILE A 79 10.662 -15.931 7.700 1.00 71.11 H new ATOM 0 HG13 ILE A 79 9.909 -16.124 6.129 1.00 71.11 H new ATOM 0 HG21 ILE A 79 8.925 -16.755 9.712 1.00 12.52 H new ATOM 0 HG22 ILE A 79 8.834 -18.516 9.466 1.00 12.52 H new ATOM 0 HG23 ILE A 79 10.397 -17.678 9.325 1.00 12.52 H new ATOM 0 HD11 ILE A 79 9.346 -13.954 7.109 1.00 62.44 H new ATOM 0 HD12 ILE A 79 7.888 -14.959 6.940 1.00 62.44 H new ATOM 0 HD13 ILE A 79 8.652 -14.763 8.535 1.00 62.44 H new ATOM 1231 N ILE A 80 9.538 -20.640 8.079 1.00 4.11 N ATOM 1232 CA ILE A 80 8.945 -21.888 8.541 1.00 75.43 C ATOM 1233 C ILE A 80 8.232 -21.698 9.875 1.00 15.31 C ATOM 1234 O ILE A 80 8.715 -20.983 10.752 1.00 4.31 O ATOM 1235 CB ILE A 80 10.006 -22.994 8.692 1.00 75.51 C ATOM 1236 CG1 ILE A 80 10.811 -23.139 7.399 1.00 73.31 C ATOM 1237 CG2 ILE A 80 9.346 -24.314 9.062 1.00 74.40 C ATOM 1238 CD1 ILE A 80 10.068 -23.872 6.304 1.00 61.14 C ATOM 0 H ILE A 80 10.469 -20.453 8.450 1.00 4.11 H new ATOM 0 HA ILE A 80 8.221 -22.191 7.785 1.00 75.43 H new ATOM 0 HB ILE A 80 10.689 -22.714 9.494 1.00 75.51 H new ATOM 0 HG12 ILE A 80 11.087 -22.148 7.039 1.00 73.31 H new ATOM 0 HG13 ILE A 80 11.738 -23.669 7.615 1.00 73.31 H new ATOM 0 HG21 ILE A 80 10.109 -25.086 9.165 1.00 74.40 H new ATOM 0 HG22 ILE A 80 8.813 -24.202 10.006 1.00 74.40 H new ATOM 0 HG23 ILE A 80 8.643 -24.601 8.280 1.00 74.40 H new ATOM 0 HD11 ILE A 80 10.699 -23.938 5.417 1.00 61.14 H new ATOM 0 HD12 ILE A 80 9.815 -24.876 6.645 1.00 61.14 H new ATOM 0 HD13 ILE A 80 9.154 -23.331 6.060 1.00 61.14 H new ATOM 1250 N MET A 81 7.079 -22.344 10.022 1.00 44.42 N ATOM 1251 CA MET A 81 6.301 -22.247 11.251 1.00 31.41 C ATOM 1252 C MET A 81 6.042 -23.630 11.840 1.00 35.41 C ATOM 1253 O MET A 81 5.468 -24.499 11.183 1.00 73.34 O ATOM 1254 CB MET A 81 4.973 -21.536 10.985 1.00 73.53 C ATOM 1255 CG MET A 81 5.136 -20.116 10.470 1.00 45.41 C ATOM 1256 SD MET A 81 3.571 -19.225 10.380 1.00 5.55 S ATOM 1257 CE MET A 81 2.624 -20.310 9.316 1.00 43.21 C ATOM 0 H MET A 81 6.664 -22.940 9.306 1.00 44.42 H new ATOM 0 HA MET A 81 6.877 -21.666 11.972 1.00 31.41 H new ATOM 0 HB2 MET A 81 4.400 -22.113 10.259 1.00 73.53 H new ATOM 0 HB3 MET A 81 4.391 -21.515 11.906 1.00 73.53 H new ATOM 0 HG2 MET A 81 5.821 -19.574 11.122 1.00 45.41 H new ATOM 0 HG3 MET A 81 5.592 -20.143 9.480 1.00 45.41 H new ATOM 0 HE1 MET A 81 2.234 -19.742 8.472 1.00 43.21 H new ATOM 0 HE2 MET A 81 3.266 -21.111 8.949 1.00 43.21 H new ATOM 0 HE3 MET A 81 1.795 -20.739 9.879 1.00 43.21 H new ATOM 1267 N THR A 82 6.468 -23.829 13.083 1.00 2.15 N ATOM 1268 CA THR A 82 6.283 -25.106 13.760 1.00 25.51 C ATOM 1269 C THR A 82 6.752 -25.034 15.209 1.00 61.21 C ATOM 1270 O THR A 82 5.966 -25.227 16.136 1.00 71.33 O ATOM 1271 CB THR A 82 7.044 -26.237 13.042 1.00 31.53 C ATOM 1272 OG1 THR A 82 7.241 -27.339 13.936 1.00 71.24 O ATOM 1273 CG2 THR A 82 8.390 -25.745 12.531 1.00 33.45 C ATOM 0 H THR A 82 6.944 -23.121 13.642 1.00 2.15 H new ATOM 0 HA THR A 82 5.215 -25.324 13.737 1.00 25.51 H new ATOM 0 HB THR A 82 6.447 -26.563 12.190 1.00 31.53 H new ATOM 0 HG1 THR A 82 8.089 -27.225 14.413 1.00 71.24 H new ATOM 0 HG21 THR A 82 8.909 -26.561 12.028 1.00 33.45 H new ATOM 0 HG22 THR A 82 8.235 -24.926 11.829 1.00 33.45 H new ATOM 0 HG23 THR A 82 8.992 -25.395 13.370 1.00 33.45 H new ATOM 1281 N ALA A 83 8.038 -24.754 15.397 1.00 75.22 N ATOM 1282 CA ALA A 83 8.610 -24.654 16.734 1.00 51.44 C ATOM 1283 C ALA A 83 8.879 -26.035 17.321 1.00 14.11 C ATOM 1284 O ALA A 83 10.026 -26.396 17.585 1.00 10.24 O ATOM 1285 CB ALA A 83 7.685 -23.861 17.645 1.00 1.14 C ATOM 0 H ALA A 83 8.703 -24.593 14.640 1.00 75.22 H new ATOM 0 HA ALA A 83 9.563 -24.130 16.657 1.00 51.44 H new ATOM 0 HB1 ALA A 83 8.124 -23.794 18.640 1.00 1.14 H new ATOM 0 HB2 ALA A 83 7.548 -22.858 17.241 1.00 1.14 H new ATOM 0 HB3 ALA A 83 6.719 -24.362 17.708 1.00 1.14 H new ATOM 1291 N HIS A 84 7.814 -26.804 17.524 1.00 34.10 N ATOM 1292 CA HIS A 84 7.935 -28.147 18.081 1.00 41.31 C ATOM 1293 C HIS A 84 8.796 -29.031 17.184 1.00 75.24 C ATOM 1294 O HIS A 84 9.520 -28.537 16.319 1.00 34.33 O ATOM 1295 CB HIS A 84 6.552 -28.774 18.261 1.00 64.25 C ATOM 1296 CG HIS A 84 5.895 -29.154 16.970 1.00 55.54 C ATOM 1297 ND1 HIS A 84 5.624 -30.459 16.618 1.00 32.11 N ATOM 1298 CD2 HIS A 84 5.451 -28.390 15.944 1.00 10.41 C ATOM 1299 CE1 HIS A 84 5.044 -30.482 15.431 1.00 31.04 C ATOM 1300 NE2 HIS A 84 4.927 -29.239 15.001 1.00 51.23 N ATOM 0 H HIS A 84 6.858 -26.520 17.311 1.00 34.10 H new ATOM 0 HA HIS A 84 8.418 -28.068 19.055 1.00 41.31 H new ATOM 0 HB2 HIS A 84 6.643 -29.661 18.888 1.00 64.25 H new ATOM 0 HB3 HIS A 84 5.910 -28.072 18.793 1.00 64.25 H new ATOM 0 HD2 HIS A 84 5.500 -27.313 15.880 1.00 10.41 H new ATOM 0 HE1 HIS A 84 4.721 -31.367 14.903 1.00 31.04 H new ATOM 0 HE2 HIS A 84 4.514 -28.956 14.112 1.00 51.23 H new ATOM 1308 N SER A 85 8.711 -30.341 17.396 1.00 44.34 N ATOM 1309 CA SER A 85 9.486 -31.294 16.609 1.00 13.31 C ATOM 1310 C SER A 85 9.411 -30.958 15.123 1.00 65.44 C ATOM 1311 O SER A 85 8.479 -31.365 14.429 1.00 12.42 O ATOM 1312 CB SER A 85 8.978 -32.717 16.849 1.00 53.34 C ATOM 1313 OG SER A 85 9.992 -33.533 17.409 1.00 13.31 O ATOM 0 H SER A 85 8.114 -30.766 18.105 1.00 44.34 H new ATOM 0 HA SER A 85 10.527 -31.229 16.926 1.00 13.31 H new ATOM 0 HB2 SER A 85 8.117 -32.691 17.517 1.00 53.34 H new ATOM 0 HB3 SER A 85 8.638 -33.149 15.908 1.00 53.34 H new ATOM 0 HG SER A 85 9.642 -34.437 17.554 1.00 13.31 H new ATOM 1319 N ASP A 86 10.401 -30.215 14.640 1.00 11.34 N ATOM 1320 CA ASP A 86 10.450 -29.825 13.236 1.00 12.30 C ATOM 1321 C ASP A 86 11.573 -28.823 12.989 1.00 4.21 C ATOM 1322 O ASP A 86 12.159 -28.785 11.906 1.00 25.33 O ATOM 1323 CB ASP A 86 9.111 -29.225 12.804 1.00 12.23 C ATOM 1324 CG ASP A 86 8.460 -30.009 11.681 1.00 3.25 C ATOM 1325 OD1 ASP A 86 9.068 -30.103 10.595 1.00 62.40 O ATOM 1326 OD2 ASP A 86 7.343 -30.527 11.889 1.00 51.10 O ATOM 0 H ASP A 86 11.181 -29.871 15.201 1.00 11.34 H new ATOM 0 HA ASP A 86 10.647 -30.718 12.643 1.00 12.30 H new ATOM 0 HB2 ASP A 86 8.437 -29.194 13.660 1.00 12.23 H new ATOM 0 HB3 ASP A 86 9.265 -28.195 12.482 1.00 12.23 H new ATOM 1331 N LEU A 87 11.868 -28.012 13.999 1.00 2.20 N ATOM 1332 CA LEU A 87 12.921 -27.008 13.892 1.00 43.12 C ATOM 1333 C LEU A 87 14.300 -27.659 13.929 1.00 62.14 C ATOM 1334 O LEU A 87 15.195 -27.285 13.170 1.00 10.55 O ATOM 1335 CB LEU A 87 12.797 -25.987 15.024 1.00 54.53 C ATOM 1336 CG LEU A 87 12.379 -24.575 14.611 1.00 45.42 C ATOM 1337 CD1 LEU A 87 11.144 -24.621 13.725 1.00 41.40 C ATOM 1338 CD2 LEU A 87 12.126 -23.713 15.839 1.00 14.20 C ATOM 0 H LEU A 87 11.393 -28.030 14.901 1.00 2.20 H new ATOM 0 HA LEU A 87 12.806 -26.497 12.936 1.00 43.12 H new ATOM 0 HB2 LEU A 87 12.073 -26.362 15.747 1.00 54.53 H new ATOM 0 HB3 LEU A 87 13.757 -25.925 15.537 1.00 54.53 H new ATOM 0 HG LEU A 87 13.193 -24.128 14.040 1.00 45.42 H new ATOM 0 HD11 LEU A 87 10.862 -23.607 13.441 1.00 41.40 H new ATOM 0 HD12 LEU A 87 11.361 -25.202 12.828 1.00 41.40 H new ATOM 0 HD13 LEU A 87 10.323 -25.087 14.269 1.00 41.40 H new ATOM 0 HD21 LEU A 87 11.830 -22.712 15.526 1.00 14.20 H new ATOM 0 HD22 LEU A 87 11.330 -24.157 16.437 1.00 14.20 H new ATOM 0 HD23 LEU A 87 13.037 -23.652 16.435 1.00 14.20 H new ATOM 1350 N ASP A 88 14.464 -28.637 14.813 1.00 15.52 N ATOM 1351 CA ASP A 88 15.732 -29.343 14.947 1.00 44.32 C ATOM 1352 C ASP A 88 16.293 -29.716 13.578 1.00 22.01 C ATOM 1353 O ASP A 88 17.504 -29.678 13.361 1.00 11.30 O ATOM 1354 CB ASP A 88 15.553 -30.600 15.799 1.00 64.33 C ATOM 1355 CG ASP A 88 16.869 -31.126 16.338 1.00 30.13 C ATOM 1356 OD1 ASP A 88 17.872 -30.385 16.280 1.00 22.11 O ATOM 1357 OD2 ASP A 88 16.896 -32.279 16.818 1.00 34.10 O ATOM 0 H ASP A 88 13.734 -28.959 15.448 1.00 15.52 H new ATOM 0 HA ASP A 88 16.440 -28.678 15.441 1.00 44.32 H new ATOM 0 HB2 ASP A 88 14.885 -30.379 16.632 1.00 64.33 H new ATOM 0 HB3 ASP A 88 15.073 -31.375 15.202 1.00 64.33 H new ATOM 1362 N ALA A 89 15.404 -30.078 12.659 1.00 43.02 N ATOM 1363 CA ALA A 89 15.810 -30.457 11.311 1.00 24.42 C ATOM 1364 C ALA A 89 15.910 -29.236 10.404 1.00 61.14 C ATOM 1365 O ALA A 89 16.868 -29.092 9.644 1.00 34.01 O ATOM 1366 CB ALA A 89 14.834 -31.470 10.731 1.00 21.13 C ATOM 0 H ALA A 89 14.398 -30.117 12.823 1.00 43.02 H new ATOM 0 HA ALA A 89 16.798 -30.914 11.371 1.00 24.42 H new ATOM 0 HB1 ALA A 89 15.149 -31.744 9.724 1.00 21.13 H new ATOM 0 HB2 ALA A 89 14.816 -32.360 11.360 1.00 21.13 H new ATOM 0 HB3 ALA A 89 13.836 -31.033 10.692 1.00 21.13 H new ATOM 1372 N ALA A 90 14.915 -28.360 10.487 1.00 13.53 N ATOM 1373 CA ALA A 90 14.892 -27.150 9.674 1.00 15.03 C ATOM 1374 C ALA A 90 16.114 -26.281 9.949 1.00 51.53 C ATOM 1375 O ALA A 90 16.473 -25.424 9.141 1.00 63.25 O ATOM 1376 CB ALA A 90 13.614 -26.365 9.933 1.00 42.33 C ATOM 0 H ALA A 90 14.114 -28.465 11.109 1.00 13.53 H new ATOM 0 HA ALA A 90 14.918 -27.445 8.625 1.00 15.03 H new ATOM 0 HB1 ALA A 90 13.610 -25.464 9.320 1.00 42.33 H new ATOM 0 HB2 ALA A 90 12.751 -26.981 9.679 1.00 42.33 H new ATOM 0 HB3 ALA A 90 13.565 -26.087 10.986 1.00 42.33 H new ATOM 1382 N VAL A 91 16.749 -26.505 11.094 1.00 22.54 N ATOM 1383 CA VAL A 91 17.932 -25.743 11.475 1.00 10.33 C ATOM 1384 C VAL A 91 19.055 -25.927 10.461 1.00 51.23 C ATOM 1385 O VAL A 91 19.507 -24.966 9.839 1.00 44.31 O ATOM 1386 CB VAL A 91 18.441 -26.156 12.869 1.00 3.50 C ATOM 1387 CG1 VAL A 91 19.824 -25.576 13.126 1.00 62.25 C ATOM 1388 CG2 VAL A 91 17.461 -25.715 13.946 1.00 45.10 C ATOM 0 H VAL A 91 16.464 -27.209 11.775 1.00 22.54 H new ATOM 0 HA VAL A 91 17.638 -24.694 11.500 1.00 10.33 H new ATOM 0 HB VAL A 91 18.517 -27.243 12.902 1.00 3.50 H new ATOM 0 HG11 VAL A 91 20.167 -25.878 14.115 1.00 62.25 H new ATOM 0 HG12 VAL A 91 20.519 -25.945 12.372 1.00 62.25 H new ATOM 0 HG13 VAL A 91 19.778 -24.488 13.075 1.00 62.25 H new ATOM 0 HG21 VAL A 91 17.836 -26.015 14.924 1.00 45.10 H new ATOM 0 HG22 VAL A 91 17.351 -24.631 13.916 1.00 45.10 H new ATOM 0 HG23 VAL A 91 16.492 -26.183 13.770 1.00 45.10 H new ATOM 1398 N SER A 92 19.500 -27.169 10.298 1.00 3.41 N ATOM 1399 CA SER A 92 20.573 -27.479 9.361 1.00 63.22 C ATOM 1400 C SER A 92 20.020 -27.703 7.957 1.00 43.04 C ATOM 1401 O SER A 92 20.747 -27.602 6.968 1.00 35.23 O ATOM 1402 CB SER A 92 21.340 -28.720 9.823 1.00 13.11 C ATOM 1403 OG SER A 92 21.925 -29.397 8.724 1.00 11.32 O ATOM 0 H SER A 92 19.134 -27.976 10.803 1.00 3.41 H new ATOM 0 HA SER A 92 21.255 -26.629 9.333 1.00 63.22 H new ATOM 0 HB2 SER A 92 22.117 -28.429 10.530 1.00 13.11 H new ATOM 0 HB3 SER A 92 20.665 -29.393 10.351 1.00 13.11 H new ATOM 0 HG SER A 92 22.410 -30.185 9.046 1.00 11.32 H new ATOM 1409 N ALA A 93 18.729 -28.007 7.878 1.00 60.43 N ATOM 1410 CA ALA A 93 18.077 -28.244 6.596 1.00 51.23 C ATOM 1411 C ALA A 93 17.688 -26.930 5.927 1.00 14.32 C ATOM 1412 O ALA A 93 18.177 -26.603 4.845 1.00 31.45 O ATOM 1413 CB ALA A 93 16.852 -29.127 6.782 1.00 52.24 C ATOM 0 H ALA A 93 18.114 -28.095 8.687 1.00 60.43 H new ATOM 0 HA ALA A 93 18.785 -28.757 5.945 1.00 51.23 H new ATOM 0 HB1 ALA A 93 16.375 -29.296 5.816 1.00 52.24 H new ATOM 0 HB2 ALA A 93 17.154 -30.083 7.209 1.00 52.24 H new ATOM 0 HB3 ALA A 93 16.148 -28.636 7.454 1.00 52.24 H new ATOM 1419 N TYR A 94 16.805 -26.180 6.577 1.00 13.31 N ATOM 1420 CA TYR A 94 16.347 -24.902 6.044 1.00 64.14 C ATOM 1421 C TYR A 94 17.521 -23.954 5.819 1.00 63.13 C ATOM 1422 O TYR A 94 17.417 -22.989 5.062 1.00 70.32 O ATOM 1423 CB TYR A 94 15.335 -24.261 6.995 1.00 61.53 C ATOM 1424 CG TYR A 94 14.379 -23.311 6.310 1.00 10.34 C ATOM 1425 CD1 TYR A 94 13.741 -23.667 5.129 1.00 72.32 C ATOM 1426 CD2 TYR A 94 14.115 -22.056 6.845 1.00 55.23 C ATOM 1427 CE1 TYR A 94 12.867 -22.802 4.500 1.00 50.25 C ATOM 1428 CE2 TYR A 94 13.241 -21.185 6.223 1.00 1.52 C ATOM 1429 CZ TYR A 94 12.620 -21.562 5.051 1.00 41.11 C ATOM 1430 OH TYR A 94 11.750 -20.696 4.428 1.00 25.20 O ATOM 0 H TYR A 94 16.392 -26.435 7.474 1.00 13.31 H new ATOM 0 HA TYR A 94 15.865 -25.090 5.085 1.00 64.14 H new ATOM 0 HB2 TYR A 94 14.763 -25.047 7.487 1.00 61.53 H new ATOM 0 HB3 TYR A 94 15.873 -23.722 7.775 1.00 61.53 H new ATOM 0 HD1 TYR A 94 13.932 -24.637 4.695 1.00 72.32 H new ATOM 0 HD2 TYR A 94 14.601 -21.756 7.762 1.00 55.23 H new ATOM 0 HE1 TYR A 94 12.380 -23.095 3.582 1.00 50.25 H new ATOM 0 HE2 TYR A 94 13.045 -20.214 6.653 1.00 1.52 H new ATOM 0 HH TYR A 94 12.110 -19.785 4.469 1.00 25.20 H new ATOM 1440 N GLN A 95 18.638 -24.238 6.482 1.00 51.34 N ATOM 1441 CA GLN A 95 19.832 -23.411 6.354 1.00 1.25 C ATOM 1442 C GLN A 95 20.463 -23.574 4.976 1.00 62.33 C ATOM 1443 O GLN A 95 21.516 -23.003 4.694 1.00 52.54 O ATOM 1444 CB GLN A 95 20.847 -23.774 7.440 1.00 43.15 C ATOM 1445 CG GLN A 95 20.855 -22.808 8.614 1.00 74.44 C ATOM 1446 CD GLN A 95 21.708 -21.582 8.356 1.00 72.24 C ATOM 1447 OE1 GLN A 95 22.333 -21.457 7.302 1.00 31.10 O ATOM 1448 NE2 GLN A 95 21.738 -20.668 9.319 1.00 63.54 N ATOM 0 H GLN A 95 18.741 -25.033 7.112 1.00 51.34 H new ATOM 0 HA GLN A 95 19.537 -22.369 6.476 1.00 1.25 H new ATOM 0 HB2 GLN A 95 20.630 -24.777 7.807 1.00 43.15 H new ATOM 0 HB3 GLN A 95 21.843 -23.805 6.999 1.00 43.15 H new ATOM 0 HG2 GLN A 95 19.833 -22.496 8.830 1.00 74.44 H new ATOM 0 HG3 GLN A 95 21.225 -23.323 9.501 1.00 74.44 H new ATOM 0 HE21 GLN A 95 21.205 -20.813 10.176 1.00 63.54 H new ATOM 0 HE22 GLN A 95 22.294 -19.821 9.201 1.00 63.54 H new ATOM 1457 N GLN A 96 19.813 -24.358 4.122 1.00 60.31 N ATOM 1458 CA GLN A 96 20.312 -24.597 2.773 1.00 62.41 C ATOM 1459 C GLN A 96 20.105 -23.371 1.891 1.00 44.43 C ATOM 1460 O GLN A 96 19.982 -23.484 0.672 1.00 51.21 O ATOM 1461 CB GLN A 96 19.612 -25.809 2.155 1.00 42.24 C ATOM 1462 CG GLN A 96 20.151 -27.141 2.649 1.00 24.24 C ATOM 1463 CD GLN A 96 21.483 -27.501 2.021 1.00 24.23 C ATOM 1464 OE1 GLN A 96 21.601 -27.595 0.799 1.00 23.22 O ATOM 1465 NE2 GLN A 96 22.496 -27.705 2.856 1.00 50.02 N ATOM 0 H GLN A 96 18.940 -24.838 4.340 1.00 60.31 H new ATOM 0 HA GLN A 96 21.381 -24.798 2.838 1.00 62.41 H new ATOM 0 HB2 GLN A 96 18.546 -25.754 2.376 1.00 42.24 H new ATOM 0 HB3 GLN A 96 19.716 -25.764 1.071 1.00 42.24 H new ATOM 0 HG2 GLN A 96 20.263 -27.104 3.733 1.00 24.24 H new ATOM 0 HG3 GLN A 96 19.427 -27.925 2.430 1.00 24.24 H new ATOM 0 HE21 GLN A 96 22.353 -27.616 3.862 1.00 50.02 H new ATOM 0 HE22 GLN A 96 23.416 -27.950 2.491 1.00 50.02 H new ATOM 1474 N GLY A 97 20.068 -22.198 2.516 1.00 44.54 N ATOM 1475 CA GLY A 97 19.876 -20.966 1.772 1.00 71.54 C ATOM 1476 C GLY A 97 18.496 -20.374 1.978 1.00 30.11 C ATOM 1477 O GLY A 97 17.926 -19.777 1.065 1.00 64.41 O ATOM 0 H GLY A 97 20.168 -22.079 3.524 1.00 44.54 H new ATOM 0 HA2 GLY A 97 20.629 -20.240 2.077 1.00 71.54 H new ATOM 0 HA3 GLY A 97 20.031 -21.158 0.710 1.00 71.54 H new ATOM 1481 N ALA A 98 17.956 -20.540 3.181 1.00 23.32 N ATOM 1482 CA ALA A 98 16.635 -20.017 3.505 1.00 72.25 C ATOM 1483 C ALA A 98 16.729 -18.862 4.496 1.00 20.51 C ATOM 1484 O ALA A 98 17.817 -18.511 4.954 1.00 34.41 O ATOM 1485 CB ALA A 98 15.751 -21.123 4.062 1.00 62.30 C ATOM 0 H ALA A 98 18.414 -21.033 3.948 1.00 23.32 H new ATOM 0 HA ALA A 98 16.187 -19.637 2.587 1.00 72.25 H new ATOM 0 HB1 ALA A 98 14.767 -20.718 4.300 1.00 62.30 H new ATOM 0 HB2 ALA A 98 15.648 -21.915 3.320 1.00 62.30 H new ATOM 0 HB3 ALA A 98 16.204 -21.530 4.966 1.00 62.30 H new ATOM 1491 N PHE A 99 15.583 -18.275 4.823 1.00 10.33 N ATOM 1492 CA PHE A 99 15.537 -17.158 5.760 1.00 52.33 C ATOM 1493 C PHE A 99 15.179 -17.639 7.163 1.00 43.11 C ATOM 1494 O PHE A 99 14.487 -18.643 7.329 1.00 63.51 O ATOM 1495 CB PHE A 99 14.520 -16.114 5.292 1.00 63.12 C ATOM 1496 CG PHE A 99 14.191 -15.087 6.337 1.00 23.02 C ATOM 1497 CD1 PHE A 99 14.978 -13.956 6.488 1.00 72.30 C ATOM 1498 CD2 PHE A 99 13.095 -15.252 7.169 1.00 43.14 C ATOM 1499 CE1 PHE A 99 14.678 -13.010 7.450 1.00 74.14 C ATOM 1500 CE2 PHE A 99 12.790 -14.309 8.132 1.00 51.21 C ATOM 1501 CZ PHE A 99 13.582 -13.186 8.272 1.00 53.02 C ATOM 0 H PHE A 99 14.674 -18.554 4.454 1.00 10.33 H new ATOM 0 HA PHE A 99 16.527 -16.703 5.793 1.00 52.33 H new ATOM 0 HB2 PHE A 99 14.910 -15.609 4.408 1.00 63.12 H new ATOM 0 HB3 PHE A 99 13.603 -16.621 4.991 1.00 63.12 H new ATOM 0 HD1 PHE A 99 15.835 -13.812 5.847 1.00 72.30 H new ATOM 0 HD2 PHE A 99 12.472 -16.128 7.064 1.00 43.14 H new ATOM 0 HE1 PHE A 99 15.300 -12.134 7.559 1.00 74.14 H new ATOM 0 HE2 PHE A 99 11.933 -14.450 8.774 1.00 51.21 H new ATOM 0 HZ PHE A 99 13.345 -12.447 9.023 1.00 53.02 H new ATOM 1511 N ASP A 100 15.657 -16.915 8.169 1.00 13.03 N ATOM 1512 CA ASP A 100 15.388 -17.267 9.559 1.00 51.51 C ATOM 1513 C ASP A 100 13.908 -17.576 9.765 1.00 64.34 C ATOM 1514 O ASP A 100 13.066 -16.678 9.738 1.00 23.54 O ATOM 1515 CB ASP A 100 15.818 -16.129 10.487 1.00 35.42 C ATOM 1516 CG ASP A 100 15.744 -16.518 11.951 1.00 53.32 C ATOM 1517 OD1 ASP A 100 16.477 -17.443 12.356 1.00 21.24 O ATOM 1518 OD2 ASP A 100 14.952 -15.897 12.691 1.00 53.54 O ATOM 0 H ASP A 100 16.232 -16.081 8.049 1.00 13.03 H new ATOM 0 HA ASP A 100 15.964 -18.160 9.800 1.00 51.51 H new ATOM 0 HB2 ASP A 100 16.838 -15.831 10.244 1.00 35.42 H new ATOM 0 HB3 ASP A 100 15.182 -15.261 10.312 1.00 35.42 H new ATOM 1523 N TYR A 101 13.599 -18.852 9.968 1.00 23.02 N ATOM 1524 CA TYR A 101 12.221 -19.281 10.175 1.00 41.12 C ATOM 1525 C TYR A 101 11.657 -18.697 11.466 1.00 14.12 C ATOM 1526 O TYR A 101 12.361 -18.019 12.215 1.00 2.32 O ATOM 1527 CB TYR A 101 12.141 -20.808 10.214 1.00 14.15 C ATOM 1528 CG TYR A 101 13.192 -21.447 11.093 1.00 32.04 C ATOM 1529 CD1 TYR A 101 13.245 -21.178 12.455 1.00 14.33 C ATOM 1530 CD2 TYR A 101 14.132 -22.321 10.562 1.00 71.34 C ATOM 1531 CE1 TYR A 101 14.204 -21.759 13.262 1.00 51.13 C ATOM 1532 CE2 TYR A 101 15.094 -22.908 11.361 1.00 71.33 C ATOM 1533 CZ TYR A 101 15.126 -22.624 12.710 1.00 41.51 C ATOM 1534 OH TYR A 101 16.082 -23.206 13.510 1.00 3.41 O ATOM 0 H TYR A 101 14.284 -19.607 9.994 1.00 23.02 H new ATOM 0 HA TYR A 101 11.623 -18.914 9.341 1.00 41.12 H new ATOM 0 HB2 TYR A 101 11.154 -21.103 10.570 1.00 14.15 H new ATOM 0 HB3 TYR A 101 12.243 -21.195 9.200 1.00 14.15 H new ATOM 0 HD1 TYR A 101 12.524 -20.503 12.891 1.00 14.33 H new ATOM 0 HD2 TYR A 101 14.110 -22.546 9.506 1.00 71.34 H new ATOM 0 HE1 TYR A 101 14.232 -21.537 14.319 1.00 51.13 H new ATOM 0 HE2 TYR A 101 15.817 -23.586 10.931 1.00 71.33 H new ATOM 0 HH TYR A 101 15.728 -23.314 14.417 1.00 3.41 H new ATOM 1544 N LEU A 102 10.381 -18.966 11.721 1.00 52.40 N ATOM 1545 CA LEU A 102 9.719 -18.468 12.922 1.00 23.33 C ATOM 1546 C LEU A 102 8.835 -19.545 13.543 1.00 62.44 C ATOM 1547 O LEU A 102 7.840 -19.978 12.960 1.00 3.34 O ATOM 1548 CB LEU A 102 8.881 -17.232 12.592 1.00 21.01 C ATOM 1549 CG LEU A 102 7.799 -16.864 13.608 1.00 4.52 C ATOM 1550 CD1 LEU A 102 8.422 -16.242 14.849 1.00 71.22 C ATOM 1551 CD2 LEU A 102 6.784 -15.915 12.987 1.00 65.35 C ATOM 0 H LEU A 102 9.784 -19.526 11.112 1.00 52.40 H new ATOM 0 HA LEU A 102 10.489 -18.195 13.644 1.00 23.33 H new ATOM 0 HB2 LEU A 102 9.553 -16.381 12.482 1.00 21.01 H new ATOM 0 HB3 LEU A 102 8.404 -17.389 11.624 1.00 21.01 H new ATOM 0 HG LEU A 102 7.280 -17.776 13.904 1.00 4.52 H new ATOM 0 HD11 LEU A 102 7.637 -15.986 15.561 1.00 71.22 H new ATOM 0 HD12 LEU A 102 9.109 -16.953 15.307 1.00 71.22 H new ATOM 0 HD13 LEU A 102 8.966 -15.340 14.570 1.00 71.22 H new ATOM 0 HD21 LEU A 102 6.022 -15.664 13.725 1.00 65.35 H new ATOM 0 HD22 LEU A 102 7.288 -15.005 12.662 1.00 65.35 H new ATOM 0 HD23 LEU A 102 6.314 -16.396 12.129 1.00 65.35 H new ATOM 1563 N PRO A 103 9.204 -19.989 14.754 1.00 54.42 N ATOM 1564 CA PRO A 103 8.456 -21.019 15.481 1.00 53.41 C ATOM 1565 C PRO A 103 7.101 -20.516 15.969 1.00 43.12 C ATOM 1566 O PRO A 103 6.971 -19.370 16.400 1.00 40.13 O ATOM 1567 CB PRO A 103 9.365 -21.345 16.669 1.00 54.33 C ATOM 1568 CG PRO A 103 10.177 -20.113 16.873 1.00 24.11 C ATOM 1569 CD PRO A 103 10.378 -19.518 15.507 1.00 42.01 C ATOM 0 HA PRO A 103 8.229 -21.879 14.851 1.00 53.41 H new ATOM 0 HB2 PRO A 103 8.783 -21.587 17.558 1.00 54.33 H new ATOM 0 HB3 PRO A 103 9.999 -22.206 16.458 1.00 54.33 H new ATOM 0 HG2 PRO A 103 9.664 -19.412 17.532 1.00 24.11 H new ATOM 0 HG3 PRO A 103 11.133 -20.349 17.340 1.00 24.11 H new ATOM 0 HD2 PRO A 103 10.421 -18.430 15.545 1.00 42.01 H new ATOM 0 HD3 PRO A 103 11.309 -19.858 15.054 1.00 42.01 H new ATOM 1577 N LYS A 104 6.094 -21.380 15.899 1.00 65.11 N ATOM 1578 CA LYS A 104 4.749 -21.025 16.335 1.00 62.21 C ATOM 1579 C LYS A 104 4.353 -21.818 17.576 1.00 12.14 C ATOM 1580 O LYS A 104 4.813 -22.938 17.800 1.00 14.22 O ATOM 1581 CB LYS A 104 3.743 -21.280 15.211 1.00 75.31 C ATOM 1582 CG LYS A 104 3.861 -22.662 14.591 1.00 53.24 C ATOM 1583 CD LYS A 104 2.520 -23.377 14.562 1.00 41.53 C ATOM 1584 CE LYS A 104 2.207 -24.028 15.900 1.00 61.42 C ATOM 1585 NZ LYS A 104 2.498 -25.489 15.887 1.00 55.13 N ATOM 0 H LYS A 104 6.184 -22.332 15.544 1.00 65.11 H new ATOM 0 HA LYS A 104 4.743 -19.964 16.586 1.00 62.21 H new ATOM 0 HB2 LYS A 104 2.734 -21.151 15.602 1.00 75.31 H new ATOM 0 HB3 LYS A 104 3.882 -20.529 14.433 1.00 75.31 H new ATOM 0 HG2 LYS A 104 4.250 -22.575 13.576 1.00 53.24 H new ATOM 0 HG3 LYS A 104 4.579 -23.256 15.157 1.00 53.24 H new ATOM 0 HD2 LYS A 104 1.733 -22.667 14.309 1.00 41.53 H new ATOM 0 HD3 LYS A 104 2.528 -24.136 13.780 1.00 41.53 H new ATOM 0 HE2 LYS A 104 2.793 -23.548 16.684 1.00 61.42 H new ATOM 0 HE3 LYS A 104 1.157 -23.869 16.145 1.00 61.42 H new ATOM 0 HZ1 LYS A 104 2.272 -25.896 16.817 1.00 55.13 H new ATOM 0 HZ2 LYS A 104 1.920 -25.952 15.156 1.00 55.13 H new ATOM 0 HZ3 LYS A 104 3.506 -25.640 15.679 1.00 55.13 H new ATOM 1599 N PRO A 105 3.478 -21.226 18.403 1.00 31.11 N ATOM 1600 CA PRO A 105 2.924 -19.893 18.147 1.00 22.13 C ATOM 1601 C PRO A 105 3.967 -18.792 18.305 1.00 64.13 C ATOM 1602 O PRO A 105 5.118 -19.059 18.652 1.00 42.52 O ATOM 1603 CB PRO A 105 1.833 -19.752 19.211 1.00 1.05 C ATOM 1604 CG PRO A 105 2.259 -20.660 20.313 1.00 12.12 C ATOM 1605 CD PRO A 105 2.962 -21.812 19.652 1.00 62.55 C ATOM 0 HA PRO A 105 2.558 -19.793 17.125 1.00 22.13 H new ATOM 0 HB2 PRO A 105 1.748 -18.722 19.557 1.00 1.05 H new ATOM 0 HB3 PRO A 105 0.857 -20.037 18.818 1.00 1.05 H new ATOM 0 HG2 PRO A 105 2.922 -20.145 21.008 1.00 12.12 H new ATOM 0 HG3 PRO A 105 1.400 -21.005 20.888 1.00 12.12 H new ATOM 0 HD2 PRO A 105 3.767 -22.203 20.275 1.00 62.55 H new ATOM 0 HD3 PRO A 105 2.280 -22.640 19.456 1.00 62.55 H new ATOM 1613 N PHE A 106 3.558 -17.554 18.048 1.00 71.21 N ATOM 1614 CA PHE A 106 4.458 -16.412 18.161 1.00 72.32 C ATOM 1615 C PHE A 106 3.672 -15.112 18.303 1.00 73.21 C ATOM 1616 O PHE A 106 2.444 -15.123 18.390 1.00 32.23 O ATOM 1617 CB PHE A 106 5.375 -16.336 16.938 1.00 10.04 C ATOM 1618 CG PHE A 106 4.637 -16.384 15.631 1.00 12.22 C ATOM 1619 CD1 PHE A 106 3.860 -15.313 15.219 1.00 1.15 C ATOM 1620 CD2 PHE A 106 4.719 -17.500 14.814 1.00 21.04 C ATOM 1621 CE1 PHE A 106 3.180 -15.353 14.017 1.00 72.40 C ATOM 1622 CE2 PHE A 106 4.041 -17.546 13.611 1.00 65.12 C ATOM 1623 CZ PHE A 106 3.270 -16.472 13.212 1.00 31.11 C ATOM 0 H PHE A 106 2.609 -17.316 17.760 1.00 71.21 H new ATOM 0 HA PHE A 106 5.066 -16.547 19.055 1.00 72.32 H new ATOM 0 HB2 PHE A 106 5.954 -15.414 16.985 1.00 10.04 H new ATOM 0 HB3 PHE A 106 6.086 -17.161 16.975 1.00 10.04 H new ATOM 0 HD1 PHE A 106 3.785 -14.436 15.845 1.00 1.15 H new ATOM 0 HD2 PHE A 106 5.320 -18.343 15.121 1.00 21.04 H new ATOM 0 HE1 PHE A 106 2.579 -14.511 13.707 1.00 72.40 H new ATOM 0 HE2 PHE A 106 4.114 -18.422 12.983 1.00 65.12 H new ATOM 0 HZ PHE A 106 2.738 -16.507 12.272 1.00 31.11 H new ATOM 1633 N ASP A 107 4.389 -13.994 18.326 1.00 74.14 N ATOM 1634 CA ASP A 107 3.760 -12.685 18.457 1.00 75.04 C ATOM 1635 C ASP A 107 3.639 -12.002 17.098 1.00 2.41 C ATOM 1636 O ASP A 107 4.644 -11.668 16.469 1.00 70.50 O ATOM 1637 CB ASP A 107 4.561 -11.804 19.416 1.00 44.25 C ATOM 1638 CG ASP A 107 4.376 -12.207 20.865 1.00 32.30 C ATOM 1639 OD1 ASP A 107 3.581 -13.135 21.125 1.00 5.21 O ATOM 1640 OD2 ASP A 107 5.024 -11.595 21.740 1.00 41.25 O ATOM 0 H ASP A 107 5.406 -13.968 18.256 1.00 74.14 H new ATOM 0 HA ASP A 107 2.758 -12.829 18.861 1.00 75.04 H new ATOM 0 HB2 ASP A 107 5.619 -11.860 19.159 1.00 44.25 H new ATOM 0 HB3 ASP A 107 4.257 -10.765 19.289 1.00 44.25 H new ATOM 1645 N ILE A 108 2.405 -11.797 16.652 1.00 74.03 N ATOM 1646 CA ILE A 108 2.154 -11.154 15.368 1.00 13.41 C ATOM 1647 C ILE A 108 2.965 -9.870 15.229 1.00 64.24 C ATOM 1648 O ILE A 108 3.350 -9.484 14.125 1.00 50.32 O ATOM 1649 CB ILE A 108 0.660 -10.825 15.185 1.00 21.52 C ATOM 1650 CG1 ILE A 108 -0.139 -12.106 14.936 1.00 60.32 C ATOM 1651 CG2 ILE A 108 0.470 -9.844 14.038 1.00 30.32 C ATOM 1652 CD1 ILE A 108 -1.582 -12.014 15.380 1.00 30.31 C ATOM 0 H ILE A 108 1.563 -12.067 17.161 1.00 74.03 H new ATOM 0 HA ILE A 108 2.460 -11.861 14.596 1.00 13.41 H new ATOM 0 HB ILE A 108 0.290 -10.360 16.099 1.00 21.52 H new ATOM 0 HG12 ILE A 108 -0.109 -12.342 13.872 1.00 60.32 H new ATOM 0 HG13 ILE A 108 0.342 -12.932 15.460 1.00 60.32 H new ATOM 0 HG21 ILE A 108 -0.591 -9.622 13.921 1.00 30.32 H new ATOM 0 HG22 ILE A 108 1.012 -8.923 14.253 1.00 30.32 H new ATOM 0 HG23 ILE A 108 0.852 -10.283 13.116 1.00 30.32 H new ATOM 0 HD11 ILE A 108 -2.087 -12.957 15.173 1.00 30.31 H new ATOM 0 HD12 ILE A 108 -1.621 -11.809 16.450 1.00 30.31 H new ATOM 0 HD13 ILE A 108 -2.079 -11.210 14.838 1.00 30.31 H new ATOM 1664 N ASP A 109 3.224 -9.215 16.355 1.00 52.12 N ATOM 1665 CA ASP A 109 3.993 -7.976 16.359 1.00 12.13 C ATOM 1666 C ASP A 109 5.395 -8.205 15.803 1.00 11.53 C ATOM 1667 O ASP A 109 5.922 -7.374 15.064 1.00 71.45 O ATOM 1668 CB ASP A 109 4.079 -7.409 17.777 1.00 22.34 C ATOM 1669 CG ASP A 109 4.998 -6.206 17.865 1.00 33.43 C ATOM 1670 OD1 ASP A 109 4.724 -5.200 17.178 1.00 23.31 O ATOM 1671 OD2 ASP A 109 5.990 -6.271 18.621 1.00 63.24 O ATOM 0 H ASP A 109 2.913 -9.521 17.277 1.00 52.12 H new ATOM 0 HA ASP A 109 3.481 -7.257 15.719 1.00 12.13 H new ATOM 0 HB2 ASP A 109 3.081 -7.126 18.113 1.00 22.34 H new ATOM 0 HB3 ASP A 109 4.435 -8.185 18.454 1.00 22.34 H new ATOM 1676 N GLU A 110 5.993 -9.335 16.166 1.00 31.01 N ATOM 1677 CA GLU A 110 7.335 -9.671 15.704 1.00 14.14 C ATOM 1678 C GLU A 110 7.289 -10.312 14.321 1.00 62.44 C ATOM 1679 O GLU A 110 8.213 -10.157 13.522 1.00 33.12 O ATOM 1680 CB GLU A 110 8.017 -10.617 16.695 1.00 50.31 C ATOM 1681 CG GLU A 110 9.301 -10.057 17.285 1.00 74.40 C ATOM 1682 CD GLU A 110 9.131 -9.597 18.720 1.00 50.13 C ATOM 1683 OE1 GLU A 110 9.023 -10.464 19.612 1.00 74.43 O ATOM 1684 OE2 GLU A 110 9.106 -8.370 18.951 1.00 63.13 O ATOM 0 H GLU A 110 5.570 -10.033 16.778 1.00 31.01 H new ATOM 0 HA GLU A 110 7.911 -8.748 15.638 1.00 14.14 H new ATOM 0 HB2 GLU A 110 7.323 -10.843 17.505 1.00 50.31 H new ATOM 0 HB3 GLU A 110 8.238 -11.559 16.192 1.00 50.31 H new ATOM 0 HG2 GLU A 110 10.079 -10.819 17.241 1.00 74.40 H new ATOM 0 HG3 GLU A 110 9.641 -9.219 16.677 1.00 74.40 H new ATOM 1691 N ALA A 111 6.208 -11.034 14.045 1.00 71.23 N ATOM 1692 CA ALA A 111 6.041 -11.698 12.758 1.00 74.30 C ATOM 1693 C ALA A 111 5.834 -10.683 11.639 1.00 65.00 C ATOM 1694 O ALA A 111 6.524 -10.718 10.620 1.00 64.50 O ATOM 1695 CB ALA A 111 4.871 -12.670 12.814 1.00 41.03 C ATOM 0 H ALA A 111 5.435 -11.174 14.695 1.00 71.23 H new ATOM 0 HA ALA A 111 6.953 -12.255 12.543 1.00 74.30 H new ATOM 0 HB1 ALA A 111 4.758 -13.159 11.846 1.00 41.03 H new ATOM 0 HB2 ALA A 111 5.059 -13.422 13.581 1.00 41.03 H new ATOM 0 HB3 ALA A 111 3.958 -12.126 13.055 1.00 41.03 H new ATOM 1701 N VAL A 112 4.880 -9.779 11.835 1.00 41.30 N ATOM 1702 CA VAL A 112 4.583 -8.753 10.842 1.00 3.02 C ATOM 1703 C VAL A 112 5.848 -8.013 10.422 1.00 41.22 C ATOM 1704 O VAL A 112 5.994 -7.620 9.265 1.00 60.23 O ATOM 1705 CB VAL A 112 3.559 -7.734 11.377 1.00 62.23 C ATOM 1706 CG1 VAL A 112 3.477 -6.526 10.456 1.00 74.53 C ATOM 1707 CG2 VAL A 112 2.194 -8.386 11.538 1.00 23.23 C ATOM 0 H VAL A 112 4.299 -9.736 12.672 1.00 41.30 H new ATOM 0 HA VAL A 112 4.159 -9.263 9.977 1.00 3.02 H new ATOM 0 HB VAL A 112 3.891 -7.391 12.357 1.00 62.23 H new ATOM 0 HG11 VAL A 112 2.749 -5.817 10.850 1.00 74.53 H new ATOM 0 HG12 VAL A 112 4.454 -6.047 10.396 1.00 74.53 H new ATOM 0 HG13 VAL A 112 3.169 -6.847 9.461 1.00 74.53 H new ATOM 0 HG21 VAL A 112 1.483 -7.652 11.917 1.00 23.23 H new ATOM 0 HG22 VAL A 112 1.852 -8.758 10.572 1.00 23.23 H new ATOM 0 HG23 VAL A 112 2.268 -9.216 12.241 1.00 23.23 H new ATOM 1717 N ALA A 113 6.761 -7.826 11.370 1.00 73.22 N ATOM 1718 CA ALA A 113 8.015 -7.135 11.097 1.00 31.43 C ATOM 1719 C ALA A 113 9.047 -8.086 10.500 1.00 32.22 C ATOM 1720 O ALA A 113 9.851 -7.694 9.654 1.00 42.22 O ATOM 1721 CB ALA A 113 8.554 -6.499 12.370 1.00 64.51 C ATOM 0 H ALA A 113 6.655 -8.143 12.334 1.00 73.22 H new ATOM 0 HA ALA A 113 7.818 -6.350 10.367 1.00 31.43 H new ATOM 0 HB1 ALA A 113 9.491 -5.986 12.152 1.00 64.51 H new ATOM 0 HB2 ALA A 113 7.828 -5.782 12.754 1.00 64.51 H new ATOM 0 HB3 ALA A 113 8.729 -7.273 13.117 1.00 64.51 H new ATOM 1727 N LEU A 114 9.019 -9.337 10.946 1.00 24.20 N ATOM 1728 CA LEU A 114 9.954 -10.345 10.456 1.00 54.22 C ATOM 1729 C LEU A 114 9.845 -10.497 8.942 1.00 31.40 C ATOM 1730 O LEU A 114 10.850 -10.656 8.250 1.00 65.03 O ATOM 1731 CB LEU A 114 9.688 -11.689 11.136 1.00 54.02 C ATOM 1732 CG LEU A 114 10.517 -12.871 10.633 1.00 73.31 C ATOM 1733 CD1 LEU A 114 11.940 -12.788 11.161 1.00 23.13 C ATOM 1734 CD2 LEU A 114 9.871 -14.187 11.040 1.00 34.43 C ATOM 0 H LEU A 114 8.360 -9.678 11.646 1.00 24.20 H new ATOM 0 HA LEU A 114 10.965 -10.017 10.698 1.00 54.22 H new ATOM 0 HB2 LEU A 114 9.867 -11.574 12.205 1.00 54.02 H new ATOM 0 HB3 LEU A 114 8.633 -11.933 11.014 1.00 54.02 H new ATOM 0 HG LEU A 114 10.552 -12.828 9.544 1.00 73.31 H new ATOM 0 HD11 LEU A 114 12.515 -13.638 10.793 1.00 23.13 H new ATOM 0 HD12 LEU A 114 12.402 -11.862 10.819 1.00 23.13 H new ATOM 0 HD13 LEU A 114 11.925 -12.805 12.251 1.00 23.13 H new ATOM 0 HD21 LEU A 114 10.475 -15.017 10.674 1.00 34.43 H new ATOM 0 HD22 LEU A 114 9.804 -14.239 12.127 1.00 34.43 H new ATOM 0 HD23 LEU A 114 8.871 -14.249 10.612 1.00 34.43 H new ATOM 1746 N VAL A 115 8.618 -10.446 8.434 1.00 73.42 N ATOM 1747 CA VAL A 115 8.377 -10.576 7.001 1.00 4.45 C ATOM 1748 C VAL A 115 8.744 -9.292 6.265 1.00 64.32 C ATOM 1749 O VAL A 115 9.239 -9.332 5.139 1.00 40.22 O ATOM 1750 CB VAL A 115 6.905 -10.920 6.708 1.00 1.22 C ATOM 1751 CG1 VAL A 115 5.985 -9.835 7.248 1.00 63.14 C ATOM 1752 CG2 VAL A 115 6.692 -11.117 5.215 1.00 72.30 C ATOM 0 H VAL A 115 7.775 -10.316 8.993 1.00 73.42 H new ATOM 0 HA VAL A 115 9.009 -11.390 6.646 1.00 4.45 H new ATOM 0 HB VAL A 115 6.660 -11.854 7.213 1.00 1.22 H new ATOM 0 HG11 VAL A 115 4.949 -10.095 7.032 1.00 63.14 H new ATOM 0 HG12 VAL A 115 6.119 -9.747 8.326 1.00 63.14 H new ATOM 0 HG13 VAL A 115 6.227 -8.884 6.774 1.00 63.14 H new ATOM 0 HG21 VAL A 115 5.646 -11.359 5.026 1.00 72.30 H new ATOM 0 HG22 VAL A 115 6.954 -10.201 4.686 1.00 72.30 H new ATOM 0 HG23 VAL A 115 7.323 -11.932 4.862 1.00 72.30 H new ATOM 1762 N GLU A 116 8.499 -8.156 6.909 1.00 51.40 N ATOM 1763 CA GLU A 116 8.804 -6.860 6.314 1.00 53.13 C ATOM 1764 C GLU A 116 10.284 -6.759 5.958 1.00 62.43 C ATOM 1765 O GLU A 116 10.675 -5.967 5.101 1.00 50.52 O ATOM 1766 CB GLU A 116 8.421 -5.731 7.272 1.00 13.54 C ATOM 1767 CG GLU A 116 7.039 -5.154 7.012 1.00 3.34 C ATOM 1768 CD GLU A 116 6.646 -4.101 8.030 1.00 12.31 C ATOM 1769 OE1 GLU A 116 7.287 -4.042 9.100 1.00 3.31 O ATOM 1770 OE2 GLU A 116 5.697 -3.336 7.757 1.00 31.33 O ATOM 0 H GLU A 116 8.090 -8.106 7.842 1.00 51.40 H new ATOM 0 HA GLU A 116 8.220 -6.764 5.398 1.00 53.13 H new ATOM 0 HB2 GLU A 116 8.463 -6.104 8.295 1.00 13.54 H new ATOM 0 HB3 GLU A 116 9.159 -4.933 7.193 1.00 13.54 H new ATOM 0 HG2 GLU A 116 7.014 -4.717 6.014 1.00 3.34 H new ATOM 0 HG3 GLU A 116 6.305 -5.959 7.026 1.00 3.34 H new ATOM 1777 N ARG A 117 11.103 -7.568 6.622 1.00 33.53 N ATOM 1778 CA ARG A 117 12.540 -7.570 6.378 1.00 40.00 C ATOM 1779 C ARG A 117 12.857 -8.149 5.002 1.00 21.13 C ATOM 1780 O ARG A 117 13.465 -7.485 4.164 1.00 63.04 O ATOM 1781 CB ARG A 117 13.262 -8.374 7.460 1.00 20.55 C ATOM 1782 CG ARG A 117 12.736 -8.117 8.863 1.00 31.41 C ATOM 1783 CD ARG A 117 13.866 -7.820 9.836 1.00 21.22 C ATOM 1784 NE ARG A 117 13.377 -7.226 11.078 1.00 64.33 N ATOM 1785 CZ ARG A 117 14.080 -7.197 12.205 1.00 73.42 C ATOM 1786 NH1 ARG A 117 15.295 -7.726 12.246 1.00 2.52 N ATOM 1787 NH2 ARG A 117 13.567 -6.639 13.294 1.00 54.24 N ATOM 0 H ARG A 117 10.795 -8.231 7.334 1.00 33.53 H new ATOM 0 HA ARG A 117 12.889 -6.538 6.408 1.00 40.00 H new ATOM 0 HB2 ARG A 117 13.168 -9.436 7.235 1.00 20.55 H new ATOM 0 HB3 ARG A 117 14.325 -8.135 7.430 1.00 20.55 H new ATOM 0 HG2 ARG A 117 12.041 -7.278 8.844 1.00 31.41 H new ATOM 0 HG3 ARG A 117 12.177 -8.987 9.208 1.00 31.41 H new ATOM 0 HD2 ARG A 117 14.402 -8.742 10.062 1.00 21.22 H new ATOM 0 HD3 ARG A 117 14.580 -7.143 9.367 1.00 21.22 H new ATOM 0 HE ARG A 117 12.445 -6.811 11.080 1.00 64.33 H new ATOM 0 HH11 ARG A 117 15.692 -8.157 11.411 1.00 2.52 H new ATOM 0 HH12 ARG A 117 15.833 -7.702 13.113 1.00 2.52 H new ATOM 0 HH21 ARG A 117 12.632 -6.232 13.266 1.00 54.24 H new ATOM 0 HH22 ARG A 117 14.107 -6.617 14.159 1.00 54.24 H new ATOM 1801 N ALA A 118 12.441 -9.391 4.779 1.00 71.33 N ATOM 1802 CA ALA A 118 12.679 -10.059 3.505 1.00 20.11 C ATOM 1803 C ALA A 118 12.204 -9.200 2.338 1.00 64.32 C ATOM 1804 O ALA A 118 12.849 -9.150 1.290 1.00 42.11 O ATOM 1805 CB ALA A 118 11.987 -11.414 3.482 1.00 53.20 C ATOM 0 H ALA A 118 11.938 -9.955 5.464 1.00 71.33 H new ATOM 0 HA ALA A 118 13.753 -10.210 3.397 1.00 20.11 H new ATOM 0 HB1 ALA A 118 12.173 -11.901 2.525 1.00 53.20 H new ATOM 0 HB2 ALA A 118 12.377 -12.036 4.288 1.00 53.20 H new ATOM 0 HB3 ALA A 118 10.914 -11.277 3.617 1.00 53.20 H new ATOM 1811 N ILE A 119 11.074 -8.528 2.525 1.00 1.45 N ATOM 1812 CA ILE A 119 10.514 -7.671 1.488 1.00 42.14 C ATOM 1813 C ILE A 119 11.299 -6.369 1.367 1.00 12.11 C ATOM 1814 O ILE A 119 11.789 -6.025 0.292 1.00 51.33 O ATOM 1815 CB ILE A 119 9.036 -7.342 1.766 1.00 75.32 C ATOM 1816 CG1 ILE A 119 8.236 -8.629 1.980 1.00 21.22 C ATOM 1817 CG2 ILE A 119 8.448 -6.532 0.620 1.00 63.23 C ATOM 1818 CD1 ILE A 119 6.816 -8.388 2.443 1.00 22.40 C ATOM 0 H ILE A 119 10.528 -8.560 3.386 1.00 1.45 H new ATOM 0 HA ILE A 119 10.584 -8.223 0.551 1.00 42.14 H new ATOM 0 HB ILE A 119 8.978 -6.744 2.675 1.00 75.32 H new ATOM 0 HG12 ILE A 119 8.215 -9.193 1.048 1.00 21.22 H new ATOM 0 HG13 ILE A 119 8.749 -9.248 2.716 1.00 21.22 H new ATOM 0 HG21 ILE A 119 7.403 -6.308 0.832 1.00 63.23 H new ATOM 0 HG22 ILE A 119 9.004 -5.601 0.510 1.00 63.23 H new ATOM 0 HG23 ILE A 119 8.516 -7.106 -0.304 1.00 63.23 H new ATOM 0 HD11 ILE A 119 6.309 -9.344 2.574 1.00 22.40 H new ATOM 0 HD12 ILE A 119 6.829 -7.851 3.391 1.00 22.40 H new ATOM 0 HD13 ILE A 119 6.286 -7.795 1.698 1.00 22.40 H new ATOM 1830 N SER A 120 11.415 -5.649 2.479 1.00 61.43 N ATOM 1831 CA SER A 120 12.139 -4.384 2.498 1.00 52.43 C ATOM 1832 C SER A 120 13.557 -4.561 1.964 1.00 1.40 C ATOM 1833 O SER A 120 14.157 -3.622 1.439 1.00 1.14 O ATOM 1834 CB SER A 120 12.183 -3.819 3.919 1.00 42.42 C ATOM 1835 OG SER A 120 10.900 -3.388 4.337 1.00 55.02 O ATOM 0 H SER A 120 11.017 -5.921 3.378 1.00 61.43 H new ATOM 0 HA SER A 120 11.612 -3.682 1.852 1.00 52.43 H new ATOM 0 HB2 SER A 120 12.556 -4.580 4.605 1.00 42.42 H new ATOM 0 HB3 SER A 120 12.882 -2.983 3.960 1.00 42.42 H new ATOM 0 HG SER A 120 10.414 -4.142 4.732 1.00 55.02 H new ATOM 1841 N HIS A 121 14.088 -5.772 2.102 1.00 13.41 N ATOM 1842 CA HIS A 121 15.436 -6.074 1.634 1.00 54.43 C ATOM 1843 C HIS A 121 15.587 -5.728 0.155 1.00 21.33 C ATOM 1844 O HIS A 121 16.689 -5.448 -0.317 1.00 61.32 O ATOM 1845 CB HIS A 121 15.758 -7.551 1.860 1.00 51.10 C ATOM 1846 CG HIS A 121 17.216 -7.871 1.742 1.00 4.44 C ATOM 1847 ND1 HIS A 121 17.832 -8.148 0.540 1.00 54.31 N ATOM 1848 CD2 HIS A 121 18.183 -7.955 2.686 1.00 2.31 C ATOM 1849 CE1 HIS A 121 19.113 -8.390 0.749 1.00 23.21 C ATOM 1850 NE2 HIS A 121 19.353 -8.279 2.043 1.00 15.13 N ATOM 0 H HIS A 121 13.605 -6.560 2.534 1.00 13.41 H new ATOM 0 HA HIS A 121 16.138 -5.466 2.205 1.00 54.43 H new ATOM 0 HB2 HIS A 121 15.409 -7.843 2.851 1.00 51.10 H new ATOM 0 HB3 HIS A 121 15.203 -8.150 1.138 1.00 51.10 H new ATOM 0 HD2 HIS A 121 18.058 -7.797 3.747 1.00 2.31 H new ATOM 0 HE1 HIS A 121 19.841 -8.637 -0.010 1.00 23.21 H new ATOM 0 HE2 HIS A 121 20.259 -8.412 2.492 1.00 15.13 H new ATOM 1858 N TYR A 122 14.474 -5.751 -0.569 1.00 62.05 N ATOM 1859 CA TYR A 122 14.484 -5.444 -1.995 1.00 11.43 C ATOM 1860 C TYR A 122 13.947 -4.039 -2.253 1.00 20.12 C ATOM 1861 O TYR A 122 14.461 -3.314 -3.104 1.00 0.32 O ATOM 1862 CB TYR A 122 13.651 -6.470 -2.765 1.00 13.42 C ATOM 1863 CG TYR A 122 13.921 -7.900 -2.355 1.00 1.42 C ATOM 1864 CD1 TYR A 122 15.189 -8.453 -2.486 1.00 41.42 C ATOM 1865 CD2 TYR A 122 12.909 -8.698 -1.837 1.00 72.12 C ATOM 1866 CE1 TYR A 122 15.441 -9.759 -2.114 1.00 12.13 C ATOM 1867 CE2 TYR A 122 13.152 -10.005 -1.461 1.00 13.24 C ATOM 1868 CZ TYR A 122 14.419 -10.531 -1.601 1.00 1.30 C ATOM 1869 OH TYR A 122 14.665 -11.832 -1.228 1.00 73.44 O ATOM 0 H TYR A 122 13.554 -5.979 -0.193 1.00 62.05 H new ATOM 0 HA TYR A 122 15.516 -5.489 -2.343 1.00 11.43 H new ATOM 0 HB2 TYR A 122 12.593 -6.252 -2.616 1.00 13.42 H new ATOM 0 HB3 TYR A 122 13.852 -6.362 -3.831 1.00 13.42 H new ATOM 0 HD1 TYR A 122 15.992 -7.851 -2.886 1.00 41.42 H new ATOM 0 HD2 TYR A 122 11.915 -8.290 -1.726 1.00 72.12 H new ATOM 0 HE1 TYR A 122 16.432 -10.174 -2.224 1.00 12.13 H new ATOM 0 HE2 TYR A 122 12.354 -10.612 -1.059 1.00 13.24 H new ATOM 0 HH TYR A 122 14.585 -12.417 -2.010 1.00 73.44 H new