USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 19 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-5!) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.139 K(o=-2.1,f=-5.1) USER MOD Set 1.3: A 82 TYR OH : rot 12:sc= 0.142 USER MOD Set 2.1: A 53 GLN : amide:sc= -0.96 K(o=-3.7,f=-8.7!) USER MOD Set 2.2: A 58 MET CE :methyl 136:sc= -1.83! (180deg=-1.33!) USER MOD Set 2.3: A 65 CYS SG : rot 110:sc= -0.951 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0932 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.0756 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0009) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= -0.212 (180deg=-0.758) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 42 GLN : amide:sc= -1 X(o=-1,f=-0.5) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.195 (180deg=-1.31!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.295 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.098) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -151:sc= -2.44 (180deg=-4.93!) USER MOD Single : A 72 TYR OH : rot -5:sc= 1.15 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0535 (180deg=-0.524) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.6!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.23) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 17:sc= 0.311 USER MOD Single : A 102 SER OG : rot -25:sc= 0.31 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.148 -32.916 1.968 1.00 0.00 N ATOM 2 CA GLY A 1 -2.778 -32.125 0.762 1.00 0.00 C ATOM 3 C GLY A 1 -1.830 -30.986 1.083 1.00 0.00 C ATOM 4 O GLY A 1 -1.601 -30.672 2.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.722 -33.863 1.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.798 -32.433 2.820 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.183 -33.005 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.314 -32.784 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.682 -31.723 0.304 1.00 0.00 H new ATOM 10 N SER A 2 -1.280 -30.366 0.045 1.00 0.00 N ATOM 11 CA SER A 2 -0.351 -29.255 0.222 1.00 0.00 C ATOM 12 C SER A 2 -1.098 -27.973 0.575 1.00 0.00 C ATOM 13 O SER A 2 -1.950 -27.510 -0.184 1.00 0.00 O ATOM 14 CB SER A 2 0.474 -29.046 -1.049 1.00 0.00 C ATOM 15 OG SER A 2 0.857 -30.285 -1.618 1.00 0.00 O ATOM 0 H SER A 2 -1.461 -30.613 -0.928 1.00 0.00 H new ATOM 0 HA SER A 2 0.320 -29.501 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.106 -28.474 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.362 -28.459 -0.817 1.00 0.00 H new ATOM 0 HG SER A 2 1.382 -30.124 -2.430 1.00 0.00 H new ATOM 21 N SER A 3 -0.773 -27.404 1.731 1.00 0.00 N ATOM 22 CA SER A 3 -1.413 -26.174 2.185 1.00 0.00 C ATOM 23 C SER A 3 -0.371 -25.118 2.541 1.00 0.00 C ATOM 24 O SER A 3 0.698 -25.437 3.060 1.00 0.00 O ATOM 25 CB SER A 3 -2.305 -26.455 3.395 1.00 0.00 C ATOM 26 OG SER A 3 -3.024 -25.296 3.779 1.00 0.00 O ATOM 0 H SER A 3 -0.070 -27.775 2.371 1.00 0.00 H new ATOM 0 HA SER A 3 -2.028 -25.792 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.003 -27.258 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.694 -26.800 4.229 1.00 0.00 H new ATOM 0 HG SER A 3 -3.588 -25.503 4.553 1.00 0.00 H new ATOM 32 N GLY A 4 -0.691 -23.860 2.258 1.00 0.00 N ATOM 33 CA GLY A 4 0.228 -22.777 2.556 1.00 0.00 C ATOM 34 C GLY A 4 -0.124 -21.498 1.820 1.00 0.00 C ATOM 35 O GLY A 4 0.749 -20.835 1.262 1.00 0.00 O ATOM 0 H GLY A 4 -1.570 -23.571 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.225 -22.587 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.240 -23.080 2.288 1.00 0.00 H new ATOM 39 N SER A 5 -1.408 -21.153 1.820 1.00 0.00 N ATOM 40 CA SER A 5 -1.873 -19.946 1.146 1.00 0.00 C ATOM 41 C SER A 5 -3.136 -19.406 1.810 1.00 0.00 C ATOM 42 O SER A 5 -3.684 -20.024 2.723 1.00 0.00 O ATOM 43 CB SER A 5 -2.143 -20.234 -0.332 1.00 0.00 C ATOM 44 OG SER A 5 -1.023 -19.889 -1.130 1.00 0.00 O ATOM 0 H SER A 5 -2.143 -21.691 2.278 1.00 0.00 H new ATOM 0 HA SER A 5 -1.091 -19.191 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.376 -21.291 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.016 -19.671 -0.662 1.00 0.00 H new ATOM 0 HG SER A 5 -0.198 -20.075 -0.634 1.00 0.00 H new ATOM 50 N SER A 6 -3.595 -18.249 1.343 1.00 0.00 N ATOM 51 CA SER A 6 -4.794 -17.625 1.891 1.00 0.00 C ATOM 52 C SER A 6 -5.241 -16.453 1.023 1.00 0.00 C ATOM 53 O SER A 6 -6.364 -16.433 0.521 1.00 0.00 O ATOM 54 CB SER A 6 -4.538 -17.149 3.323 1.00 0.00 C ATOM 55 OG SER A 6 -5.626 -17.472 4.170 1.00 0.00 O ATOM 0 H SER A 6 -3.155 -17.725 0.587 1.00 0.00 H new ATOM 0 HA SER A 6 -5.590 -18.370 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.627 -17.609 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.377 -16.071 3.328 1.00 0.00 H new ATOM 0 HG SER A 6 -5.437 -17.159 5.079 1.00 0.00 H new ATOM 61 N GLY A 7 -4.354 -15.478 0.852 1.00 0.00 N ATOM 62 CA GLY A 7 -4.675 -14.315 0.046 1.00 0.00 C ATOM 63 C GLY A 7 -3.610 -13.240 0.127 1.00 0.00 C ATOM 64 O GLY A 7 -2.496 -13.495 0.584 1.00 0.00 O ATOM 0 H GLY A 7 -3.418 -15.473 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.800 -14.620 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.629 -13.902 0.374 1.00 0.00 H new ATOM 68 N VAL A 8 -3.954 -12.035 -0.319 1.00 0.00 N ATOM 69 CA VAL A 8 -3.020 -10.913 -0.297 1.00 0.00 C ATOM 70 C VAL A 8 -1.894 -11.113 -1.306 1.00 0.00 C ATOM 71 O VAL A 8 -1.777 -10.365 -2.276 1.00 0.00 O ATOM 72 CB VAL A 8 -2.409 -10.711 1.103 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.626 -9.409 1.162 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.494 -10.737 2.169 1.00 0.00 C ATOM 0 H VAL A 8 -4.873 -11.810 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.592 -10.025 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.719 -11.532 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.202 -9.284 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.822 -9.434 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.292 -8.574 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.043 -10.593 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.211 -9.938 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.007 -11.699 2.143 1.00 0.00 H new ATOM 84 N SER A 9 -1.065 -12.126 -1.069 1.00 0.00 N ATOM 85 CA SER A 9 0.054 -12.424 -1.956 1.00 0.00 C ATOM 86 C SER A 9 -0.423 -12.624 -3.393 1.00 0.00 C ATOM 87 O SER A 9 0.304 -12.340 -4.344 1.00 0.00 O ATOM 88 CB SER A 9 0.797 -13.671 -1.471 1.00 0.00 C ATOM 89 OG SER A 9 2.127 -13.358 -1.093 1.00 0.00 O ATOM 0 H SER A 9 -1.148 -12.754 -0.270 1.00 0.00 H new ATOM 0 HA SER A 9 0.735 -11.573 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.268 -14.107 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.807 -14.422 -2.261 1.00 0.00 H new ATOM 0 HG SER A 9 2.580 -14.171 -0.785 1.00 0.00 H new ATOM 95 N GLN A 10 -1.649 -13.116 -3.541 1.00 0.00 N ATOM 96 CA GLN A 10 -2.222 -13.355 -4.860 1.00 0.00 C ATOM 97 C GLN A 10 -2.597 -12.040 -5.537 1.00 0.00 C ATOM 98 O GLN A 10 -2.421 -11.878 -6.743 1.00 0.00 O ATOM 99 CB GLN A 10 -3.454 -14.255 -4.751 1.00 0.00 C ATOM 100 CG GLN A 10 -3.127 -15.685 -4.354 1.00 0.00 C ATOM 101 CD GLN A 10 -3.865 -16.708 -5.197 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.579 -17.562 -4.673 1.00 0.00 O ATOM 103 NE2 GLN A 10 -3.692 -16.625 -6.511 1.00 0.00 N ATOM 0 H GLN A 10 -2.264 -13.357 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.469 -13.855 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.140 -13.831 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.975 -14.262 -5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.053 -15.848 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.380 -15.834 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.090 -15.900 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.161 -17.286 -7.130 1.00 0.00 H new ATOM 112 N ARG A 11 -3.115 -11.103 -4.749 1.00 0.00 N ATOM 113 CA ARG A 11 -3.515 -9.801 -5.270 1.00 0.00 C ATOM 114 C ARG A 11 -2.298 -8.999 -5.724 1.00 0.00 C ATOM 115 O ARG A 11 -1.179 -9.242 -5.271 1.00 0.00 O ATOM 116 CB ARG A 11 -4.288 -9.018 -4.207 1.00 0.00 C ATOM 117 CG ARG A 11 -5.531 -9.737 -3.708 1.00 0.00 C ATOM 118 CD ARG A 11 -6.615 -9.782 -4.774 1.00 0.00 C ATOM 119 NE ARG A 11 -7.497 -10.935 -4.608 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.288 -11.406 -5.569 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.309 -10.829 -6.765 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.060 -12.459 -5.335 1.00 0.00 N ATOM 0 H ARG A 11 -3.267 -11.221 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.162 -9.966 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.629 -8.820 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.578 -8.051 -4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.270 -10.752 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.913 -9.232 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.204 -8.866 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.153 -9.818 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.507 -11.406 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.717 -10.020 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.918 -11.195 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.047 -12.907 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.666 -12.820 -6.071 1.00 0.00 H new ATOM 136 N PRO A 12 -2.500 -8.026 -6.629 1.00 0.00 N ATOM 137 CA PRO A 12 -1.414 -7.186 -7.144 1.00 0.00 C ATOM 138 C PRO A 12 -0.579 -6.570 -6.027 1.00 0.00 C ATOM 139 O PRO A 12 -1.018 -6.496 -4.878 1.00 0.00 O ATOM 140 CB PRO A 12 -2.147 -6.097 -7.927 1.00 0.00 C ATOM 141 CG PRO A 12 -3.432 -6.727 -8.336 1.00 0.00 C ATOM 142 CD PRO A 12 -3.803 -7.669 -7.223 1.00 0.00 C ATOM 0 HA PRO A 12 -0.707 -7.758 -7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.317 -5.213 -7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.570 -5.776 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.206 -5.974 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.322 -7.262 -9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.459 -7.192 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.328 -8.548 -7.598 1.00 0.00 H new ATOM 150 N PHE A 13 0.627 -6.129 -6.369 1.00 0.00 N ATOM 151 CA PHE A 13 1.523 -5.518 -5.395 1.00 0.00 C ATOM 152 C PHE A 13 1.017 -4.140 -4.979 1.00 0.00 C ATOM 153 O PHE A 13 1.095 -3.767 -3.808 1.00 0.00 O ATOM 154 CB PHE A 13 2.935 -5.403 -5.972 1.00 0.00 C ATOM 155 CG PHE A 13 3.960 -4.961 -4.965 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.357 -5.809 -3.944 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.526 -3.699 -5.042 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.299 -5.406 -3.017 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.469 -3.290 -4.118 1.00 0.00 C ATOM 160 CZ PHE A 13 5.856 -4.145 -3.104 1.00 0.00 C ATOM 0 H PHE A 13 1.006 -6.184 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 13 1.550 -6.157 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.232 -6.369 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.924 -4.696 -6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.925 -6.796 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.227 -3.027 -5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.599 -6.076 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.903 -2.303 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.593 -3.828 -2.381 1.00 0.00 H new ATOM 170 N ARG A 14 0.497 -3.390 -5.944 1.00 0.00 N ATOM 171 CA ARG A 14 -0.023 -2.054 -5.677 1.00 0.00 C ATOM 172 C ARG A 14 -1.186 -2.110 -4.692 1.00 0.00 C ATOM 173 O ARG A 14 -1.342 -1.228 -3.848 1.00 0.00 O ATOM 174 CB ARG A 14 -0.469 -1.388 -6.982 1.00 0.00 C ATOM 175 CG ARG A 14 0.349 -0.160 -7.349 1.00 0.00 C ATOM 176 CD ARG A 14 0.256 0.147 -8.835 1.00 0.00 C ATOM 177 NE ARG A 14 0.254 1.584 -9.098 1.00 0.00 N ATOM 178 CZ ARG A 14 -0.723 2.406 -8.720 1.00 0.00 C ATOM 179 NH1 ARG A 14 -1.778 1.937 -8.064 1.00 0.00 N ATOM 180 NH2 ARG A 14 -0.645 3.701 -8.999 1.00 0.00 N ATOM 0 H ARG A 14 0.424 -3.684 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 14 0.775 -1.461 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.402 -2.114 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.518 -1.103 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.003 0.698 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.391 -0.320 -7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.096 -0.315 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.653 -0.297 -9.241 1.00 0.00 H new ATOM 0 HE ARG A 14 1.048 1.981 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.843 0.942 -7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.523 2.571 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.163 4.066 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.393 4.331 -8.710 1.00 0.00 H new ATOM 194 N ASP A 15 -2.001 -3.154 -4.806 1.00 0.00 N ATOM 195 CA ASP A 15 -3.152 -3.326 -3.925 1.00 0.00 C ATOM 196 C ASP A 15 -2.704 -3.596 -2.493 1.00 0.00 C ATOM 197 O ASP A 15 -3.337 -3.145 -1.538 1.00 0.00 O ATOM 198 CB ASP A 15 -4.033 -4.473 -4.421 1.00 0.00 C ATOM 199 CG ASP A 15 -4.947 -4.052 -5.555 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.353 -2.872 -5.583 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.256 -4.903 -6.414 1.00 0.00 O ATOM 0 H ASP A 15 -1.886 -3.893 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.730 -2.402 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.400 -5.295 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.635 -4.849 -3.594 1.00 0.00 H new ATOM 206 N ARG A 16 -1.608 -4.335 -2.350 1.00 0.00 N ATOM 207 CA ARG A 16 -1.075 -4.666 -1.034 1.00 0.00 C ATOM 208 C ARG A 16 -0.555 -3.418 -0.328 1.00 0.00 C ATOM 209 O ARG A 16 -0.778 -3.231 0.868 1.00 0.00 O ATOM 210 CB ARG A 16 0.045 -5.699 -1.160 1.00 0.00 C ATOM 211 CG ARG A 16 -0.458 -7.129 -1.293 1.00 0.00 C ATOM 212 CD ARG A 16 0.260 -7.873 -2.409 1.00 0.00 C ATOM 213 NE ARG A 16 1.541 -8.419 -1.967 1.00 0.00 N ATOM 214 CZ ARG A 16 2.314 -9.197 -2.721 1.00 0.00 C ATOM 215 NH1 ARG A 16 1.941 -9.523 -3.952 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.465 -9.650 -2.242 1.00 0.00 N ATOM 0 H ARG A 16 -1.072 -4.716 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.884 -5.088 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.657 -5.455 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.692 -5.630 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.311 -7.656 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.530 -7.122 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.374 -8.683 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.424 -7.197 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 16 1.862 -8.191 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.057 -9.177 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.538 -10.120 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.757 -9.402 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.058 -10.246 -2.819 1.00 0.00 H new ATOM 230 N VAL A 17 0.139 -2.567 -1.077 1.00 0.00 N ATOM 231 CA VAL A 17 0.691 -1.336 -0.522 1.00 0.00 C ATOM 232 C VAL A 17 -0.388 -0.270 -0.367 1.00 0.00 C ATOM 233 O VAL A 17 -0.439 0.435 0.640 1.00 0.00 O ATOM 234 CB VAL A 17 1.822 -0.778 -1.406 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.515 0.387 -0.718 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.820 -1.874 -1.751 1.00 0.00 C ATOM 0 H VAL A 17 0.332 -2.707 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 17 1.096 -1.586 0.459 1.00 0.00 H new ATOM 0 HB VAL A 17 1.384 -0.411 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.311 0.767 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.792 1.180 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.940 0.050 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.612 -1.461 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.253 -2.274 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.311 -2.673 -2.290 1.00 0.00 H new ATOM 246 N LEU A 18 -1.249 -0.158 -1.373 1.00 0.00 N ATOM 247 CA LEU A 18 -2.328 0.822 -1.352 1.00 0.00 C ATOM 248 C LEU A 18 -3.231 0.615 -0.140 1.00 0.00 C ATOM 249 O LEU A 18 -3.650 1.576 0.507 1.00 0.00 O ATOM 250 CB LEU A 18 -3.152 0.732 -2.637 1.00 0.00 C ATOM 251 CG LEU A 18 -4.275 1.764 -2.761 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.717 3.108 -3.203 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.338 1.279 -3.735 1.00 0.00 C ATOM 0 H LEU A 18 -1.220 -0.735 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.881 1.814 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.481 0.844 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.587 -0.265 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.738 1.890 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.530 3.830 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.992 3.460 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.229 2.999 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.129 2.025 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.889 1.125 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.759 0.339 -3.376 1.00 0.00 H new ATOM 265 N HIS A 19 -3.528 -0.645 0.163 1.00 0.00 N ATOM 266 CA HIS A 19 -4.381 -0.977 1.297 1.00 0.00 C ATOM 267 C HIS A 19 -3.668 -0.695 2.616 1.00 0.00 C ATOM 268 O HIS A 19 -4.302 -0.353 3.614 1.00 0.00 O ATOM 269 CB HIS A 19 -4.800 -2.447 1.233 1.00 0.00 C ATOM 270 CG HIS A 19 -5.928 -2.706 0.284 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.837 -2.543 -1.081 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.196 -3.126 0.528 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.025 -2.861 -1.612 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.885 -3.223 -0.679 1.00 0.00 N ATOM 0 H HIS A 19 -3.190 -1.452 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.271 -0.350 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.941 -3.049 0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.092 -2.777 2.230 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.012 -2.235 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.605 -3.349 1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.250 -2.826 -2.668 1.00 0.00 H new ATOM 282 N LEU A 20 -2.347 -0.841 2.613 1.00 0.00 N ATOM 283 CA LEU A 20 -1.548 -0.601 3.809 1.00 0.00 C ATOM 284 C LEU A 20 -1.527 0.883 4.159 1.00 0.00 C ATOM 285 O LEU A 20 -1.828 1.270 5.289 1.00 0.00 O ATOM 286 CB LEU A 20 -0.121 -1.110 3.607 1.00 0.00 C ATOM 287 CG LEU A 20 0.050 -2.625 3.721 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.401 -3.053 3.170 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.103 -3.070 5.168 1.00 0.00 C ATOM 0 H LEU A 20 -1.807 -1.124 1.795 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.005 -1.145 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.225 -0.794 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.526 -0.631 4.341 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.729 -3.105 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.505 -4.134 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.473 -2.767 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.195 -2.564 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.022 -4.151 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.654 -2.581 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.094 -2.797 5.530 1.00 0.00 H new ATOM 301 N LEU A 21 -1.169 1.710 3.181 1.00 0.00 N ATOM 302 CA LEU A 21 -1.108 3.153 3.385 1.00 0.00 C ATOM 303 C LEU A 21 -2.500 3.734 3.609 1.00 0.00 C ATOM 304 O LEU A 21 -2.660 4.742 4.297 1.00 0.00 O ATOM 305 CB LEU A 21 -0.449 3.831 2.181 1.00 0.00 C ATOM 306 CG LEU A 21 0.869 3.202 1.725 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.366 3.869 0.452 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.915 3.300 2.826 1.00 0.00 C ATOM 0 H LEU A 21 -0.917 1.406 2.241 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.509 3.342 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.150 3.815 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.269 4.878 2.426 1.00 0.00 H new ATOM 0 HG LEU A 21 0.693 2.148 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.304 3.409 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.624 3.746 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.526 4.931 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.846 2.848 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.089 4.348 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.560 2.775 3.713 1.00 0.00 H new ATOM 320 N ALA A 22 -3.508 3.090 3.025 1.00 0.00 N ATOM 321 CA ALA A 22 -4.885 3.544 3.161 1.00 0.00 C ATOM 322 C ALA A 22 -5.304 3.605 4.627 1.00 0.00 C ATOM 323 O ALA A 22 -6.017 4.518 5.042 1.00 0.00 O ATOM 324 CB ALA A 22 -5.820 2.630 2.383 1.00 0.00 C ATOM 0 H ALA A 22 -3.394 2.253 2.454 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.950 4.551 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.846 2.980 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.544 2.640 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.740 1.614 2.769 1.00 0.00 H new ATOM 330 N LEU A 23 -4.856 2.626 5.407 1.00 0.00 N ATOM 331 CA LEU A 23 -5.184 2.570 6.827 1.00 0.00 C ATOM 332 C LEU A 23 -4.542 3.730 7.581 1.00 0.00 C ATOM 333 O LEU A 23 -5.234 4.607 8.098 1.00 0.00 O ATOM 334 CB LEU A 23 -4.725 1.240 7.427 1.00 0.00 C ATOM 335 CG LEU A 23 -5.710 0.081 7.261 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.184 -1.169 7.949 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.076 0.461 7.814 1.00 0.00 C ATOM 0 H LEU A 23 -4.265 1.861 5.080 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.266 2.651 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.777 0.960 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.534 1.385 8.490 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.816 -0.132 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.898 -1.983 7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.228 -1.452 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.049 -0.970 9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.765 -0.374 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.986 0.700 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.457 1.330 7.277 1.00 0.00 H new ATOM 349 N ARG A 24 -3.214 3.728 7.640 1.00 0.00 N ATOM 350 CA ARG A 24 -2.479 4.782 8.331 1.00 0.00 C ATOM 351 C ARG A 24 -1.126 5.028 7.667 1.00 0.00 C ATOM 352 O ARG A 24 -0.589 4.151 6.991 1.00 0.00 O ATOM 353 CB ARG A 24 -2.279 4.411 9.801 1.00 0.00 C ATOM 354 CG ARG A 24 -1.614 3.060 10.004 1.00 0.00 C ATOM 355 CD ARG A 24 -1.071 2.913 11.417 1.00 0.00 C ATOM 356 NE ARG A 24 0.087 3.772 11.650 1.00 0.00 N ATOM 357 CZ ARG A 24 0.955 3.595 12.644 1.00 0.00 C ATOM 358 NH1 ARG A 24 0.800 2.591 13.498 1.00 0.00 N ATOM 359 NH2 ARG A 24 1.980 4.423 12.784 1.00 0.00 N ATOM 0 H ARG A 24 -2.625 3.009 7.218 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.064 5.699 8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.674 5.180 10.282 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.248 4.408 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.333 2.266 9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.802 2.942 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.855 3.158 12.134 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.793 1.874 11.592 1.00 0.00 H new ATOM 0 HE ARG A 24 0.240 4.554 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.013 1.950 13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.468 2.460 14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.104 5.196 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.645 4.287 13.546 1.00 0.00 H new ATOM 373 N PRO A 25 -0.555 6.230 7.855 1.00 0.00 N ATOM 374 CA PRO A 25 0.742 6.587 7.271 1.00 0.00 C ATOM 375 C PRO A 25 1.824 5.563 7.594 1.00 0.00 C ATOM 376 O PRO A 25 2.167 5.354 8.758 1.00 0.00 O ATOM 377 CB PRO A 25 1.068 7.933 7.922 1.00 0.00 C ATOM 378 CG PRO A 25 -0.255 8.505 8.296 1.00 0.00 C ATOM 379 CD PRO A 25 -1.128 7.333 8.649 1.00 0.00 C ATOM 0 HA PRO A 25 0.702 6.624 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.705 7.805 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.601 8.587 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.160 9.189 9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.681 9.075 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.099 7.117 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.171 7.516 8.389 1.00 0.00 H new ATOM 387 N TYR A 26 2.359 4.928 6.556 1.00 0.00 N ATOM 388 CA TYR A 26 3.403 3.925 6.730 1.00 0.00 C ATOM 389 C TYR A 26 4.734 4.425 6.178 1.00 0.00 C ATOM 390 O TYR A 26 4.814 4.879 5.036 1.00 0.00 O ATOM 391 CB TYR A 26 3.006 2.621 6.034 1.00 0.00 C ATOM 392 CG TYR A 26 2.459 1.573 6.978 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.310 0.809 7.766 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.091 1.349 7.081 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.814 -0.150 8.629 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.588 0.393 7.942 1.00 0.00 C ATOM 397 CZ TYR A 26 1.453 -0.354 8.713 1.00 0.00 C ATOM 398 OH TYR A 26 0.955 -1.307 9.573 1.00 0.00 O ATOM 0 H TYR A 26 2.087 5.090 5.586 1.00 0.00 H new ATOM 0 HA TYR A 26 3.520 3.738 7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.257 2.839 5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.876 2.215 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.377 0.967 7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.410 1.932 6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.489 -0.737 9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.478 0.232 8.011 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.023 -1.323 9.512 1.00 0.00 H new ATOM 408 N ARG A 27 5.778 4.340 6.996 1.00 0.00 N ATOM 409 CA ARG A 27 7.106 4.784 6.591 1.00 0.00 C ATOM 410 C ARG A 27 7.722 3.812 5.589 1.00 0.00 C ATOM 411 O ARG A 27 7.097 2.823 5.205 1.00 0.00 O ATOM 412 CB ARG A 27 8.015 4.921 7.812 1.00 0.00 C ATOM 413 CG ARG A 27 7.406 5.745 8.935 1.00 0.00 C ATOM 414 CD ARG A 27 7.711 5.145 10.298 1.00 0.00 C ATOM 415 NE ARG A 27 9.001 5.594 10.818 1.00 0.00 N ATOM 416 CZ ARG A 27 9.207 6.795 11.353 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.212 7.670 11.441 1.00 0.00 N ATOM 418 NH2 ARG A 27 10.411 7.123 11.803 1.00 0.00 N ATOM 0 H ARG A 27 5.729 3.967 7.944 1.00 0.00 H new ATOM 0 HA ARG A 27 7.006 5.758 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.254 3.927 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.955 5.379 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.792 6.763 8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.327 5.807 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.923 5.419 10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.709 4.058 10.224 1.00 0.00 H new ATOM 0 HE ARG A 27 9.790 4.949 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.284 7.423 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.376 8.589 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.179 6.455 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.569 8.044 12.213 1.00 0.00 H new ATOM 432 N LYS A 28 8.950 4.100 5.173 1.00 0.00 N ATOM 433 CA LYS A 28 9.651 3.250 4.216 1.00 0.00 C ATOM 434 C LYS A 28 10.158 1.979 4.889 1.00 0.00 C ATOM 435 O LYS A 28 10.079 0.889 4.321 1.00 0.00 O ATOM 436 CB LYS A 28 10.818 4.014 3.585 1.00 0.00 C ATOM 437 CG LYS A 28 10.663 4.231 2.087 1.00 0.00 C ATOM 438 CD LYS A 28 11.923 3.841 1.331 1.00 0.00 C ATOM 439 CE LYS A 28 12.262 2.373 1.531 1.00 0.00 C ATOM 440 NZ LYS A 28 12.742 1.737 0.273 1.00 0.00 N ATOM 0 H LYS A 28 9.481 4.914 5.482 1.00 0.00 H new ATOM 0 HA LYS A 28 8.948 2.966 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.916 4.982 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.743 3.467 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.821 3.644 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.431 5.278 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.788 4.043 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.756 4.457 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.028 2.279 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.381 1.843 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.529 1.093 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.965 1.201 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.067 2.473 -0.386 1.00 0.00 H new ATOM 454 N ALA A 29 10.682 2.125 6.102 1.00 0.00 N ATOM 455 CA ALA A 29 11.202 0.989 6.852 1.00 0.00 C ATOM 456 C ALA A 29 10.073 0.195 7.499 1.00 0.00 C ATOM 457 O ALA A 29 10.097 -1.036 7.516 1.00 0.00 O ATOM 458 CB ALA A 29 12.190 1.462 7.908 1.00 0.00 C ATOM 0 H ALA A 29 10.757 3.020 6.586 1.00 0.00 H new ATOM 0 HA ALA A 29 11.720 0.331 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.571 0.603 8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.019 1.979 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.689 2.143 8.596 1.00 0.00 H new ATOM 464 N GLU A 30 9.086 0.907 8.033 1.00 0.00 N ATOM 465 CA GLU A 30 7.947 0.268 8.683 1.00 0.00 C ATOM 466 C GLU A 30 7.094 -0.486 7.668 1.00 0.00 C ATOM 467 O GLU A 30 6.483 -1.505 7.991 1.00 0.00 O ATOM 468 CB GLU A 30 7.097 1.313 9.409 1.00 0.00 C ATOM 469 CG GLU A 30 7.419 1.437 10.889 1.00 0.00 C ATOM 470 CD GLU A 30 6.319 2.130 11.669 1.00 0.00 C ATOM 471 OE1 GLU A 30 5.148 2.052 11.242 1.00 0.00 O ATOM 472 OE2 GLU A 30 6.628 2.749 12.708 1.00 0.00 O ATOM 0 H GLU A 30 9.052 1.926 8.029 1.00 0.00 H new ATOM 0 HA GLU A 30 8.329 -0.448 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.242 2.282 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.044 1.056 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.584 0.443 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.350 1.992 11.009 1.00 0.00 H new ATOM 479 N LEU A 31 7.058 0.020 6.440 1.00 0.00 N ATOM 480 CA LEU A 31 6.280 -0.607 5.377 1.00 0.00 C ATOM 481 C LEU A 31 7.045 -1.770 4.755 1.00 0.00 C ATOM 482 O LEU A 31 6.456 -2.787 4.387 1.00 0.00 O ATOM 483 CB LEU A 31 5.926 0.421 4.301 1.00 0.00 C ATOM 484 CG LEU A 31 4.957 -0.074 3.225 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.576 -0.306 3.818 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.886 0.920 2.075 1.00 0.00 C ATOM 0 H LEU A 31 7.558 0.862 6.156 1.00 0.00 H new ATOM 0 HA LEU A 31 5.360 -0.995 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.491 1.296 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.846 0.749 3.817 1.00 0.00 H new ATOM 0 HG LEU A 31 5.327 -1.023 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.900 -0.658 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.640 -1.055 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.197 0.628 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.192 0.552 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.539 1.884 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.876 1.037 1.634 1.00 0.00 H new ATOM 498 N LEU A 32 8.360 -1.614 4.640 1.00 0.00 N ATOM 499 CA LEU A 32 9.205 -2.652 4.063 1.00 0.00 C ATOM 500 C LEU A 32 9.123 -3.938 4.878 1.00 0.00 C ATOM 501 O LEU A 32 8.938 -5.024 4.327 1.00 0.00 O ATOM 502 CB LEU A 32 10.655 -2.174 3.987 1.00 0.00 C ATOM 503 CG LEU A 32 10.995 -1.326 2.760 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.325 -0.614 2.954 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.027 -2.190 1.509 1.00 0.00 C ATOM 0 H LEU A 32 8.863 -0.779 4.939 1.00 0.00 H new ATOM 0 HA LEU A 32 8.845 -2.860 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.878 -1.595 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.310 -3.045 4.000 1.00 0.00 H new ATOM 0 HG LEU A 32 10.218 -0.571 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.550 -0.016 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.266 0.036 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.114 -1.351 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.270 -1.571 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.783 -2.967 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.051 -2.652 1.361 1.00 0.00 H new ATOM 517 N LEU A 33 9.260 -3.809 6.193 1.00 0.00 N ATOM 518 CA LEU A 33 9.201 -4.961 7.085 1.00 0.00 C ATOM 519 C LEU A 33 7.850 -5.660 6.984 1.00 0.00 C ATOM 520 O LEU A 33 7.764 -6.885 7.081 1.00 0.00 O ATOM 521 CB LEU A 33 9.457 -4.527 8.529 1.00 0.00 C ATOM 522 CG LEU A 33 10.859 -3.978 8.803 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.805 -2.863 9.836 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.784 -5.092 9.266 1.00 0.00 C ATOM 0 H LEU A 33 9.413 -2.918 6.665 1.00 0.00 H new ATOM 0 HA LEU A 33 9.976 -5.664 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.726 -3.764 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.283 -5.380 9.185 1.00 0.00 H new ATOM 0 HG LEU A 33 11.255 -3.565 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.811 -2.486 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.175 -2.054 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.389 -3.249 10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.777 -4.685 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.391 -5.534 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.848 -5.857 8.492 1.00 0.00 H new ATOM 536 N ARG A 34 6.796 -4.875 6.790 1.00 0.00 N ATOM 537 CA ARG A 34 5.447 -5.420 6.677 1.00 0.00 C ATOM 538 C ARG A 34 5.290 -6.223 5.390 1.00 0.00 C ATOM 539 O ARG A 34 4.796 -7.350 5.407 1.00 0.00 O ATOM 540 CB ARG A 34 4.414 -4.291 6.720 1.00 0.00 C ATOM 541 CG ARG A 34 3.284 -4.539 7.706 1.00 0.00 C ATOM 542 CD ARG A 34 2.493 -5.785 7.344 1.00 0.00 C ATOM 543 NE ARG A 34 1.120 -5.723 7.840 1.00 0.00 N ATOM 544 CZ ARG A 34 0.132 -6.494 7.387 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.362 -7.383 6.429 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.087 -6.373 7.893 1.00 0.00 N ATOM 0 H ARG A 34 6.849 -3.860 6.708 1.00 0.00 H new ATOM 0 HA ARG A 34 5.279 -6.088 7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.916 -3.360 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.993 -4.157 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.693 -4.646 8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.618 -3.676 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.482 -5.906 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.989 -6.663 7.758 1.00 0.00 H new ATOM 0 HE ARG A 34 0.905 -5.050 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.298 -7.479 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.398 -7.971 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.268 -5.690 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.844 -6.963 7.547 1.00 0.00 H new ATOM 560 N LEU A 35 5.716 -5.636 4.276 1.00 0.00 N ATOM 561 CA LEU A 35 5.622 -6.298 2.980 1.00 0.00 C ATOM 562 C LEU A 35 6.458 -7.574 2.958 1.00 0.00 C ATOM 563 O LEU A 35 6.119 -8.538 2.273 1.00 0.00 O ATOM 564 CB LEU A 35 6.081 -5.354 1.868 1.00 0.00 C ATOM 565 CG LEU A 35 5.057 -4.297 1.451 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.720 -3.208 0.624 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.917 -4.938 0.675 1.00 0.00 C ATOM 0 H LEU A 35 6.129 -4.704 4.245 1.00 0.00 H new ATOM 0 HA LEU A 35 4.579 -6.566 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.990 -4.848 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.343 -5.949 0.993 1.00 0.00 H new ATOM 0 HG LEU A 35 4.647 -3.841 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.976 -2.465 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.502 -2.729 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.158 -3.648 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.198 -4.172 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.312 -5.421 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.424 -5.681 1.301 1.00 0.00 H new ATOM 579 N GLN A 36 7.552 -7.572 3.713 1.00 0.00 N ATOM 580 CA GLN A 36 8.437 -8.729 3.780 1.00 0.00 C ATOM 581 C GLN A 36 7.710 -9.938 4.361 1.00 0.00 C ATOM 582 O GLN A 36 8.005 -11.080 4.011 1.00 0.00 O ATOM 583 CB GLN A 36 9.673 -8.403 4.623 1.00 0.00 C ATOM 584 CG GLN A 36 10.961 -8.348 3.818 1.00 0.00 C ATOM 585 CD GLN A 36 12.168 -8.791 4.619 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.250 -8.551 5.824 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.114 -9.442 3.953 1.00 0.00 N ATOM 0 H GLN A 36 7.847 -6.782 4.287 1.00 0.00 H new ATOM 0 HA GLN A 36 8.753 -8.974 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.522 -7.444 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.776 -9.153 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.862 -8.982 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.119 -7.330 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.005 -9.619 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.950 -9.765 4.440 1.00 0.00 H new ATOM 596 N LYS A 37 6.758 -9.678 5.251 1.00 0.00 N ATOM 597 CA LYS A 37 5.989 -10.745 5.882 1.00 0.00 C ATOM 598 C LYS A 37 5.239 -11.567 4.839 1.00 0.00 C ATOM 599 O LYS A 37 5.190 -12.794 4.919 1.00 0.00 O ATOM 600 CB LYS A 37 5.002 -10.160 6.893 1.00 0.00 C ATOM 601 CG LYS A 37 5.658 -9.684 8.180 1.00 0.00 C ATOM 602 CD LYS A 37 5.073 -10.382 9.399 1.00 0.00 C ATOM 603 CE LYS A 37 3.626 -9.978 9.630 1.00 0.00 C ATOM 604 NZ LYS A 37 3.518 -8.627 10.248 1.00 0.00 N ATOM 0 H LYS A 37 6.500 -8.738 5.552 1.00 0.00 H new ATOM 0 HA LYS A 37 6.686 -11.402 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.476 -9.324 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.253 -10.914 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.731 -9.871 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.526 -8.607 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.134 -11.462 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.666 -10.136 10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.091 -9.987 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.143 -10.712 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.515 -8.389 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.007 -8.625 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.956 -7.922 9.621 1.00 0.00 H new ATOM 618 N ASP A 38 4.656 -10.883 3.861 1.00 0.00 N ATOM 619 CA ASP A 38 3.907 -11.549 2.802 1.00 0.00 C ATOM 620 C ASP A 38 4.850 -12.139 1.757 1.00 0.00 C ATOM 621 O ASP A 38 4.703 -13.293 1.355 1.00 0.00 O ATOM 622 CB ASP A 38 2.941 -10.569 2.136 1.00 0.00 C ATOM 623 CG ASP A 38 1.948 -9.979 3.119 1.00 0.00 C ATOM 624 OD1 ASP A 38 2.276 -8.950 3.748 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.843 -10.545 3.259 1.00 0.00 O ATOM 0 H ASP A 38 4.688 -9.867 3.780 1.00 0.00 H new ATOM 0 HA ASP A 38 3.336 -12.361 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.509 -9.764 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.400 -11.080 1.340 1.00 0.00 H new ATOM 630 N GLY A 39 5.818 -11.340 1.323 1.00 0.00 N ATOM 631 CA GLY A 39 6.771 -11.801 0.331 1.00 0.00 C ATOM 632 C GLY A 39 7.371 -10.662 -0.470 1.00 0.00 C ATOM 633 O GLY A 39 6.985 -10.429 -1.616 1.00 0.00 O ATOM 0 H GLY A 39 5.960 -10.381 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.570 -12.352 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.277 -12.497 -0.347 1.00 0.00 H new ATOM 637 N LEU A 40 8.318 -9.951 0.133 1.00 0.00 N ATOM 638 CA LEU A 40 8.973 -8.830 -0.531 1.00 0.00 C ATOM 639 C LEU A 40 10.444 -9.134 -0.789 1.00 0.00 C ATOM 640 O LEU A 40 11.257 -9.147 0.137 1.00 0.00 O ATOM 641 CB LEU A 40 8.842 -7.562 0.313 1.00 0.00 C ATOM 642 CG LEU A 40 9.384 -6.290 -0.342 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.451 -5.820 -1.447 1.00 0.00 C ATOM 644 CD2 LEU A 40 9.576 -5.196 0.697 1.00 0.00 C ATOM 0 H LEU A 40 8.649 -10.131 1.081 1.00 0.00 H new ATOM 0 HA LEU A 40 8.480 -8.671 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.789 -7.410 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.364 -7.717 1.257 1.00 0.00 H new ATOM 0 HG LEU A 40 10.354 -6.517 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.853 -4.914 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.364 -6.598 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.467 -5.610 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.962 -4.299 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.620 -4.971 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.284 -5.533 1.454 1.00 0.00 H new ATOM 656 N THR A 41 10.781 -9.379 -2.051 1.00 0.00 N ATOM 657 CA THR A 41 12.156 -9.682 -2.430 1.00 0.00 C ATOM 658 C THR A 41 12.904 -8.413 -2.824 1.00 0.00 C ATOM 659 O THR A 41 12.338 -7.320 -2.820 1.00 0.00 O ATOM 660 CB THR A 41 12.179 -10.683 -3.587 1.00 0.00 C ATOM 661 OG1 THR A 41 13.509 -10.941 -4.000 1.00 0.00 O ATOM 662 CG2 THR A 41 11.404 -10.216 -4.799 1.00 0.00 C ATOM 0 H THR A 41 10.121 -9.374 -2.828 1.00 0.00 H new ATOM 0 HA THR A 41 12.656 -10.123 -1.568 1.00 0.00 H new ATOM 0 HB THR A 41 11.704 -11.584 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.503 -11.584 -4.739 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.462 -10.973 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.361 -10.056 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.830 -9.282 -5.165 1.00 0.00 H new ATOM 670 N GLN A 42 14.180 -8.566 -3.164 1.00 0.00 N ATOM 671 CA GLN A 42 15.006 -7.430 -3.561 1.00 0.00 C ATOM 672 C GLN A 42 14.427 -6.740 -4.792 1.00 0.00 C ATOM 673 O GLN A 42 14.475 -5.516 -4.910 1.00 0.00 O ATOM 674 CB GLN A 42 16.437 -7.888 -3.844 1.00 0.00 C ATOM 675 CG GLN A 42 17.483 -6.821 -3.567 1.00 0.00 C ATOM 676 CD GLN A 42 17.542 -6.427 -2.104 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.299 -7.003 -1.324 1.00 0.00 O ATOM 678 NE2 GLN A 42 16.739 -5.440 -1.725 1.00 0.00 N ATOM 0 H GLN A 42 14.664 -9.464 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 42 15.017 -6.715 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.656 -8.766 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.512 -8.196 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.461 -7.186 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.264 -5.939 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.127 -4.990 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.734 -5.131 -0.753 1.00 0.00 H new ATOM 687 N ALA A 43 13.881 -7.534 -5.707 1.00 0.00 N ATOM 688 CA ALA A 43 13.295 -7.001 -6.930 1.00 0.00 C ATOM 689 C ALA A 43 12.067 -6.150 -6.626 1.00 0.00 C ATOM 690 O ALA A 43 11.758 -5.206 -7.353 1.00 0.00 O ATOM 691 CB ALA A 43 12.932 -8.134 -7.879 1.00 0.00 C ATOM 0 H ALA A 43 13.832 -8.549 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 43 14.037 -6.363 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.495 -7.721 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.829 -8.699 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.211 -8.795 -7.398 1.00 0.00 H new ATOM 697 N ASP A 44 11.370 -6.490 -5.546 1.00 0.00 N ATOM 698 CA ASP A 44 10.174 -5.756 -5.145 1.00 0.00 C ATOM 699 C ASP A 44 10.528 -4.611 -4.201 1.00 0.00 C ATOM 700 O ASP A 44 9.850 -3.584 -4.176 1.00 0.00 O ATOM 701 CB ASP A 44 9.175 -6.698 -4.472 1.00 0.00 C ATOM 702 CG ASP A 44 8.677 -7.780 -5.410 1.00 0.00 C ATOM 703 OD1 ASP A 44 9.486 -8.286 -6.216 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.478 -8.122 -5.338 1.00 0.00 O ATOM 0 H ASP A 44 11.612 -7.268 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 44 9.719 -5.335 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.645 -7.161 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.326 -6.121 -4.105 1.00 0.00 H new ATOM 709 N LYS A 45 11.592 -4.795 -3.425 1.00 0.00 N ATOM 710 CA LYS A 45 12.033 -3.776 -2.479 1.00 0.00 C ATOM 711 C LYS A 45 12.359 -2.470 -3.195 1.00 0.00 C ATOM 712 O LYS A 45 12.131 -1.384 -2.661 1.00 0.00 O ATOM 713 CB LYS A 45 13.257 -4.267 -1.703 1.00 0.00 C ATOM 714 CG LYS A 45 12.913 -4.931 -0.378 1.00 0.00 C ATOM 715 CD LYS A 45 13.813 -4.438 0.744 1.00 0.00 C ATOM 716 CE LYS A 45 13.234 -4.776 2.109 1.00 0.00 C ATOM 717 NZ LYS A 45 13.888 -3.997 3.197 1.00 0.00 N ATOM 0 H LYS A 45 12.164 -5.639 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 45 11.218 -3.589 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.809 -4.975 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.920 -3.423 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.872 -4.727 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.011 -6.012 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.801 -4.888 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.944 -3.359 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.163 -4.573 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.356 -5.842 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.209 -3.842 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.708 -4.525 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.205 -3.079 2.825 1.00 0.00 H new ATOM 731 N ASP A 46 12.892 -2.583 -4.407 1.00 0.00 N ATOM 732 CA ASP A 46 13.250 -1.409 -5.196 1.00 0.00 C ATOM 733 C ASP A 46 12.010 -0.781 -5.829 1.00 0.00 C ATOM 734 O ASP A 46 11.945 0.433 -6.016 1.00 0.00 O ATOM 735 CB ASP A 46 14.258 -1.788 -6.284 1.00 0.00 C ATOM 736 CG ASP A 46 15.666 -1.332 -5.949 1.00 0.00 C ATOM 737 OD1 ASP A 46 16.254 -1.877 -4.991 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.179 -0.430 -6.644 1.00 0.00 O ATOM 0 H ASP A 46 13.086 -3.474 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 46 13.705 -0.677 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.252 -2.869 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.951 -1.345 -7.231 1.00 0.00 H new ATOM 743 N ALA A 47 11.031 -1.619 -6.154 1.00 0.00 N ATOM 744 CA ALA A 47 9.794 -1.147 -6.765 1.00 0.00 C ATOM 745 C ALA A 47 8.948 -0.373 -5.761 1.00 0.00 C ATOM 746 O ALA A 47 8.244 0.571 -6.123 1.00 0.00 O ATOM 747 CB ALA A 47 9.006 -2.317 -7.331 1.00 0.00 C ATOM 0 H ALA A 47 11.070 -2.627 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 47 10.054 -0.471 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.085 -1.950 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.604 -2.827 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.763 -3.014 -6.529 1.00 0.00 H new ATOM 753 N LEU A 48 9.020 -0.778 -4.497 1.00 0.00 N ATOM 754 CA LEU A 48 8.260 -0.123 -3.438 1.00 0.00 C ATOM 755 C LEU A 48 8.637 1.352 -3.330 1.00 0.00 C ATOM 756 O LEU A 48 7.802 2.193 -2.997 1.00 0.00 O ATOM 757 CB LEU A 48 8.502 -0.823 -2.100 1.00 0.00 C ATOM 758 CG LEU A 48 7.568 -0.397 -0.967 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.147 -0.859 -1.244 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.060 -0.946 0.364 1.00 0.00 C ATOM 0 H LEU A 48 9.597 -1.557 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 48 7.202 -0.191 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.403 -1.898 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.531 -0.637 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 48 7.569 0.692 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.497 -0.547 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.796 -0.417 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.128 -1.946 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.383 -0.633 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.089 -2.035 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.060 -0.564 0.568 1.00 0.00 H new ATOM 772 N ASP A 49 9.900 1.656 -3.611 1.00 0.00 N ATOM 773 CA ASP A 49 10.387 3.029 -3.544 1.00 0.00 C ATOM 774 C ASP A 49 9.634 3.923 -4.524 1.00 0.00 C ATOM 775 O ASP A 49 9.106 4.969 -4.145 1.00 0.00 O ATOM 776 CB ASP A 49 11.887 3.075 -3.844 1.00 0.00 C ATOM 777 CG ASP A 49 12.518 4.391 -3.434 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.086 5.443 -3.951 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.445 4.370 -2.596 1.00 0.00 O ATOM 0 H ASP A 49 10.604 0.971 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 49 10.213 3.400 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.385 2.258 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.047 2.915 -4.910 1.00 0.00 H new ATOM 784 N GLY A 50 9.587 3.504 -5.784 1.00 0.00 N ATOM 785 CA GLY A 50 8.896 4.278 -6.797 1.00 0.00 C ATOM 786 C GLY A 50 7.388 4.192 -6.666 1.00 0.00 C ATOM 787 O GLY A 50 6.671 5.115 -7.051 1.00 0.00 O ATOM 0 H GLY A 50 10.015 2.642 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.205 5.321 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.192 3.924 -7.785 1.00 0.00 H new ATOM 791 N LEU A 51 6.906 3.082 -6.118 1.00 0.00 N ATOM 792 CA LEU A 51 5.473 2.878 -5.937 1.00 0.00 C ATOM 793 C LEU A 51 4.923 3.812 -4.863 1.00 0.00 C ATOM 794 O LEU A 51 3.843 4.382 -5.017 1.00 0.00 O ATOM 795 CB LEU A 51 5.186 1.423 -5.559 1.00 0.00 C ATOM 796 CG LEU A 51 3.915 0.833 -6.176 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.262 -0.100 -7.326 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.097 0.101 -5.122 1.00 0.00 C ATOM 0 H LEU A 51 7.486 2.309 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 51 4.977 3.105 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.036 0.811 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.111 1.353 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 51 3.313 1.653 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.346 -0.509 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.803 0.454 -8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.887 -0.914 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.198 -0.311 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.691 -0.708 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.815 0.797 -4.332 1.00 0.00 H new ATOM 810 N LEU A 52 5.673 3.963 -3.776 1.00 0.00 N ATOM 811 CA LEU A 52 5.260 4.827 -2.676 1.00 0.00 C ATOM 812 C LEU A 52 5.072 6.264 -3.152 1.00 0.00 C ATOM 813 O LEU A 52 4.040 6.883 -2.895 1.00 0.00 O ATOM 814 CB LEU A 52 6.293 4.780 -1.548 1.00 0.00 C ATOM 815 CG LEU A 52 6.179 3.573 -0.615 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.399 3.479 0.288 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.906 3.660 0.213 1.00 0.00 C ATOM 0 H LEU A 52 6.570 3.498 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 52 4.304 4.462 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.290 4.786 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.201 5.689 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 52 6.133 2.670 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.300 2.615 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.296 3.371 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.477 4.385 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.840 2.794 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.923 4.571 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.041 3.678 -0.450 1.00 0.00 H new ATOM 829 N GLN A 53 6.076 6.789 -3.845 1.00 0.00 N ATOM 830 CA GLN A 53 6.019 8.154 -4.356 1.00 0.00 C ATOM 831 C GLN A 53 4.829 8.340 -5.296 1.00 0.00 C ATOM 832 O GLN A 53 4.364 9.460 -5.506 1.00 0.00 O ATOM 833 CB GLN A 53 7.318 8.502 -5.086 1.00 0.00 C ATOM 834 CG GLN A 53 8.542 8.492 -4.185 1.00 0.00 C ATOM 835 CD GLN A 53 8.608 9.705 -3.277 1.00 0.00 C ATOM 836 OE1 GLN A 53 7.602 10.118 -2.701 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.796 10.283 -3.147 1.00 0.00 N ATOM 0 H GLN A 53 6.938 6.291 -4.066 1.00 0.00 H new ATOM 0 HA GLN A 53 5.894 8.826 -3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.470 7.792 -5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.218 9.489 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.533 7.588 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.441 8.454 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.603 9.906 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.901 11.104 -2.550 1.00 0.00 H new ATOM 846 N GLN A 54 4.344 7.238 -5.861 1.00 0.00 N ATOM 847 CA GLN A 54 3.213 7.286 -6.780 1.00 0.00 C ATOM 848 C GLN A 54 1.892 7.111 -6.036 1.00 0.00 C ATOM 849 O GLN A 54 0.968 7.907 -6.199 1.00 0.00 O ATOM 850 CB GLN A 54 3.354 6.201 -7.849 1.00 0.00 C ATOM 851 CG GLN A 54 4.164 6.641 -9.058 1.00 0.00 C ATOM 852 CD GLN A 54 3.305 6.855 -10.289 1.00 0.00 C ATOM 853 OE1 GLN A 54 2.597 7.856 -10.401 1.00 0.00 O ATOM 854 NE2 GLN A 54 3.364 5.912 -11.222 1.00 0.00 N ATOM 0 H GLN A 54 4.716 6.302 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 54 3.210 8.265 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.826 5.324 -7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.361 5.896 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.690 7.566 -8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.923 5.889 -9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.965 5.099 -11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.809 6.001 -12.073 1.00 0.00 H new ATOM 863 N VAL A 55 1.807 6.063 -5.223 1.00 0.00 N ATOM 864 CA VAL A 55 0.595 5.783 -4.460 1.00 0.00 C ATOM 865 C VAL A 55 0.680 6.357 -3.049 1.00 0.00 C ATOM 866 O VAL A 55 0.006 5.881 -2.135 1.00 0.00 O ATOM 867 CB VAL A 55 0.327 4.269 -4.368 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.040 3.693 -5.746 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.502 3.556 -3.717 1.00 0.00 C ATOM 0 H VAL A 55 2.562 5.394 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.227 6.262 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.553 4.112 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.147 2.622 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.837 4.182 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.898 3.861 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.294 2.488 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.401 3.720 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.654 3.949 -2.712 1.00 0.00 H new ATOM 879 N ALA A 56 1.510 7.383 -2.875 1.00 0.00 N ATOM 880 CA ALA A 56 1.677 8.017 -1.573 1.00 0.00 C ATOM 881 C ALA A 56 2.621 9.211 -1.662 1.00 0.00 C ATOM 882 O ALA A 56 3.304 9.402 -2.669 1.00 0.00 O ATOM 883 CB ALA A 56 2.191 7.010 -0.555 1.00 0.00 C ATOM 0 H ALA A 56 2.076 7.791 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 56 0.702 8.380 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.310 7.499 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.478 6.191 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.153 6.618 -0.885 1.00 0.00 H new ATOM 889 N ASN A 57 2.657 10.011 -0.602 1.00 0.00 N ATOM 890 CA ASN A 57 3.519 11.187 -0.559 1.00 0.00 C ATOM 891 C ASN A 57 4.563 11.056 0.544 1.00 0.00 C ATOM 892 O ASN A 57 4.235 10.740 1.688 1.00 0.00 O ATOM 893 CB ASN A 57 2.683 12.449 -0.340 1.00 0.00 C ATOM 894 CG ASN A 57 1.513 12.541 -1.299 1.00 0.00 C ATOM 895 OD1 ASN A 57 1.693 12.755 -2.498 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.304 12.380 -0.775 1.00 0.00 N ATOM 0 H ASN A 57 2.099 9.867 0.240 1.00 0.00 H new ATOM 0 HA ASN A 57 4.036 11.264 -1.515 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.311 12.462 0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.317 13.327 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.522 12.432 -1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.201 12.204 0.224 1.00 0.00 H new ATOM 903 N MET A 58 5.821 11.302 0.194 1.00 0.00 N ATOM 904 CA MET A 58 6.914 11.212 1.157 1.00 0.00 C ATOM 905 C MET A 58 7.112 12.539 1.880 1.00 0.00 C ATOM 906 O MET A 58 6.592 13.572 1.459 1.00 0.00 O ATOM 907 CB MET A 58 8.209 10.803 0.452 1.00 0.00 C ATOM 908 CG MET A 58 9.254 10.222 1.390 1.00 0.00 C ATOM 909 SD MET A 58 10.558 9.336 0.515 1.00 0.00 S ATOM 910 CE MET A 58 9.609 8.043 -0.286 1.00 0.00 C ATOM 0 H MET A 58 6.109 11.565 -0.748 1.00 0.00 H new ATOM 0 HA MET A 58 6.654 10.453 1.895 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.977 10.069 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.629 11.673 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.697 11.027 1.977 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.769 9.545 2.093 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.941 7.935 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.757 7.102 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.551 8.305 -0.271 1.00 0.00 H new ATOM 920 N SER A 59 7.866 12.503 2.974 1.00 0.00 N ATOM 921 CA SER A 59 8.134 13.703 3.758 1.00 0.00 C ATOM 922 C SER A 59 9.625 14.029 3.764 1.00 0.00 C ATOM 923 O SER A 59 10.448 13.218 3.342 1.00 0.00 O ATOM 924 CB SER A 59 7.634 13.522 5.193 1.00 0.00 C ATOM 925 OG SER A 59 7.985 14.634 5.999 1.00 0.00 O ATOM 0 H SER A 59 8.302 11.656 3.338 1.00 0.00 H new ATOM 0 HA SER A 59 7.601 14.534 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.551 13.397 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.059 12.612 5.618 1.00 0.00 H new ATOM 0 HG SER A 59 7.653 14.495 6.911 1.00 0.00 H new ATOM 931 N ALA A 60 9.962 15.220 4.247 1.00 0.00 N ATOM 932 CA ALA A 60 11.353 15.653 4.309 1.00 0.00 C ATOM 933 C ALA A 60 11.812 15.817 5.754 1.00 0.00 C ATOM 934 O ALA A 60 12.657 16.660 6.056 1.00 0.00 O ATOM 935 CB ALA A 60 11.533 16.956 3.545 1.00 0.00 C ATOM 0 H ALA A 60 9.291 15.902 4.601 1.00 0.00 H new ATOM 0 HA ALA A 60 11.970 14.884 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.576 17.268 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.252 16.808 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.900 17.726 3.985 1.00 0.00 H new ATOM 941 N LYS A 61 11.249 15.005 6.643 1.00 0.00 N ATOM 942 CA LYS A 61 11.601 15.061 8.058 1.00 0.00 C ATOM 943 C LYS A 61 11.417 13.698 8.718 1.00 0.00 C ATOM 944 O LYS A 61 12.384 13.069 9.147 1.00 0.00 O ATOM 945 CB LYS A 61 10.749 16.107 8.777 1.00 0.00 C ATOM 946 CG LYS A 61 11.493 16.845 9.879 1.00 0.00 C ATOM 947 CD LYS A 61 11.269 18.347 9.797 1.00 0.00 C ATOM 948 CE LYS A 61 10.045 18.772 10.592 1.00 0.00 C ATOM 949 NZ LYS A 61 8.777 18.449 9.880 1.00 0.00 N ATOM 0 H LYS A 61 10.548 14.301 6.410 1.00 0.00 H new ATOM 0 HA LYS A 61 12.651 15.344 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.385 16.831 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.874 15.619 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.161 16.480 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.559 16.631 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.149 18.868 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.147 18.641 8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.053 18.275 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.091 19.844 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.975 18.874 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.815 18.830 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.654 17.417 9.841 1.00 0.00 H new ATOM 963 N ASP A 62 10.170 13.247 8.795 1.00 0.00 N ATOM 964 CA ASP A 62 9.858 11.958 9.402 1.00 0.00 C ATOM 965 C ASP A 62 10.092 10.820 8.412 1.00 0.00 C ATOM 966 O ASP A 62 10.480 9.718 8.799 1.00 0.00 O ATOM 967 CB ASP A 62 8.408 11.938 9.893 1.00 0.00 C ATOM 968 CG ASP A 62 8.310 11.966 11.406 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.908 12.872 12.023 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.635 11.081 11.972 1.00 0.00 O ATOM 0 H ASP A 62 9.358 13.755 8.444 1.00 0.00 H new ATOM 0 HA ASP A 62 10.522 11.815 10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.876 12.796 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.912 11.044 9.516 1.00 0.00 H new ATOM 975 N GLY A 63 9.852 11.096 7.134 1.00 0.00 N ATOM 976 CA GLY A 63 10.042 10.087 6.110 1.00 0.00 C ATOM 977 C GLY A 63 8.884 9.110 6.037 1.00 0.00 C ATOM 978 O GLY A 63 9.067 7.948 5.673 1.00 0.00 O ATOM 0 H GLY A 63 9.529 12.000 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.164 10.574 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.963 9.540 6.310 1.00 0.00 H new ATOM 982 N THR A 64 7.692 9.581 6.384 1.00 0.00 N ATOM 983 CA THR A 64 6.501 8.742 6.357 1.00 0.00 C ATOM 984 C THR A 64 5.740 8.918 5.047 1.00 0.00 C ATOM 985 O THR A 64 5.585 10.035 4.553 1.00 0.00 O ATOM 986 CB THR A 64 5.588 9.076 7.538 1.00 0.00 C ATOM 987 OG1 THR A 64 6.339 9.591 8.623 1.00 0.00 O ATOM 988 CG2 THR A 64 4.806 7.883 8.047 1.00 0.00 C ATOM 0 H THR A 64 7.525 10.540 6.688 1.00 0.00 H new ATOM 0 HA THR A 64 6.819 7.702 6.435 1.00 0.00 H new ATOM 0 HB THR A 64 4.884 9.816 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.737 9.800 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.179 8.189 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.177 7.492 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.498 7.108 8.377 1.00 0.00 H new ATOM 996 N CYS A 65 5.267 7.808 4.489 1.00 0.00 N ATOM 997 CA CYS A 65 4.523 7.840 3.235 1.00 0.00 C ATOM 998 C CYS A 65 3.025 7.708 3.488 1.00 0.00 C ATOM 999 O CYS A 65 2.550 6.662 3.928 1.00 0.00 O ATOM 1000 CB CYS A 65 4.996 6.720 2.308 1.00 0.00 C ATOM 1001 SG CYS A 65 6.400 7.171 1.262 1.00 0.00 S ATOM 0 H CYS A 65 5.386 6.876 4.885 1.00 0.00 H new ATOM 0 HA CYS A 65 4.709 8.801 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.270 5.855 2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.166 6.415 1.671 1.00 0.00 H new ATOM 0 HG CYS A 65 7.459 6.530 1.657 1.00 0.00 H new ATOM 1007 N THR A 66 2.287 8.776 3.208 1.00 0.00 N ATOM 1008 CA THR A 66 0.842 8.780 3.404 1.00 0.00 C ATOM 1009 C THR A 66 0.110 8.612 2.076 1.00 0.00 C ATOM 1010 O THR A 66 0.506 9.186 1.062 1.00 0.00 O ATOM 1011 CB THR A 66 0.402 10.079 4.081 1.00 0.00 C ATOM 1012 OG1 THR A 66 0.573 11.182 3.210 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.164 10.377 5.355 1.00 0.00 C ATOM 0 H THR A 66 2.666 9.651 2.844 1.00 0.00 H new ATOM 0 HA THR A 66 0.586 7.938 4.047 1.00 0.00 H new ATOM 0 HB THR A 66 -0.649 9.933 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.284 12.003 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.803 11.312 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.011 9.567 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.227 10.467 5.131 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.958 7.822 2.090 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.744 7.580 0.886 1.00 0.00 C ATOM 1023 C LEU A 67 -2.490 8.841 0.460 1.00 0.00 C ATOM 1024 O LEU A 67 -2.958 9.610 1.300 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.739 6.441 1.121 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.361 5.853 -0.145 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.402 4.875 -0.807 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.683 5.172 0.179 1.00 0.00 C ATOM 0 H LEU A 67 -1.299 7.339 2.921 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.059 7.297 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.232 5.643 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.539 6.805 1.765 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.556 6.666 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.862 4.467 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.481 5.393 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.175 4.064 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.113 4.759 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.512 4.369 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.372 5.900 0.607 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.595 9.046 -0.848 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.283 10.214 -1.385 1.00 0.00 C ATOM 1042 C GLN A 68 -4.784 10.127 -1.130 1.00 0.00 C ATOM 1043 O GLN A 68 -5.262 9.188 -0.493 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.016 10.345 -2.886 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.559 10.132 -3.265 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.192 10.807 -4.572 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.974 11.581 -5.126 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.004 10.518 -5.073 1.00 0.00 N ATOM 0 H GLN A 68 -2.213 8.419 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.897 11.097 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.631 9.622 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.328 11.335 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.921 10.517 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.360 9.063 -3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.620 9.871 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.306 10.943 -5.950 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.523 11.111 -1.633 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.970 11.145 -1.461 1.00 0.00 C ATOM 1059 C ASP A 69 -7.675 10.494 -2.648 1.00 0.00 C ATOM 1060 O ASP A 69 -8.747 9.909 -2.500 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.449 12.590 -1.292 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.906 12.886 0.123 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -7.037 13.067 1.002 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.133 12.934 0.354 1.00 0.00 O ATOM 0 H ASP A 69 -5.143 11.895 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.220 10.580 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.641 13.271 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.270 12.781 -1.983 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.063 10.601 -3.823 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.632 10.023 -5.036 1.00 0.00 C ATOM 1071 C CYS A 70 -7.312 8.534 -5.132 1.00 0.00 C ATOM 1072 O CYS A 70 -8.084 7.759 -5.696 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.100 10.751 -6.271 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.254 10.781 -7.662 1.00 0.00 S ATOM 0 H CYS A 70 -6.174 11.082 -3.961 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.715 10.141 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.851 11.776 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.174 10.273 -6.591 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.716 11.420 -8.658 1.00 0.00 H new ATOM 1080 N MET A 71 -6.169 8.142 -4.578 1.00 0.00 N ATOM 1081 CA MET A 71 -5.748 6.746 -4.602 1.00 0.00 C ATOM 1082 C MET A 71 -6.700 5.873 -3.789 1.00 0.00 C ATOM 1083 O MET A 71 -6.861 4.686 -4.071 1.00 0.00 O ATOM 1084 CB MET A 71 -4.325 6.611 -4.056 1.00 0.00 C ATOM 1085 CG MET A 71 -3.273 7.277 -4.929 1.00 0.00 C ATOM 1086 SD MET A 71 -3.289 6.664 -6.625 1.00 0.00 S ATOM 1087 CE MET A 71 -3.244 4.896 -6.347 1.00 0.00 C ATOM 0 H MET A 71 -5.518 8.771 -4.107 1.00 0.00 H new ATOM 0 HA MET A 71 -5.768 6.406 -5.638 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.285 7.046 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.083 5.553 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.440 8.354 -4.934 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.287 7.109 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.749 4.408 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.694 4.686 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.262 4.516 -6.255 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.331 6.468 -2.782 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.268 5.744 -1.930 1.00 0.00 C ATOM 1099 C TYR A 72 -9.389 5.116 -2.756 1.00 0.00 C ATOM 1100 O TYR A 72 -9.976 4.111 -2.358 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.860 6.682 -0.876 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.068 6.724 0.410 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.018 5.622 1.254 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.370 7.867 0.782 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.294 5.656 2.431 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.644 7.909 1.957 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.610 6.802 2.778 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.889 6.840 3.949 1.00 0.00 O ATOM 0 H TYR A 72 -7.210 7.450 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.720 4.945 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.919 7.689 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.880 6.368 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.554 4.723 0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.396 8.737 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.264 4.790 3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.106 8.804 2.231 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.029 6.007 4.446 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.679 5.716 -3.906 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.728 5.214 -4.785 1.00 0.00 C ATOM 1120 C LYS A 73 -10.424 3.791 -5.250 1.00 0.00 C ATOM 1121 O LYS A 73 -11.328 3.050 -5.635 1.00 0.00 O ATOM 1122 CB LYS A 73 -10.889 6.134 -5.997 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.196 7.577 -5.630 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.253 8.175 -6.544 1.00 0.00 C ATOM 1125 CE LYS A 73 -11.633 8.784 -7.792 1.00 0.00 C ATOM 1126 NZ LYS A 73 -11.908 7.966 -9.006 1.00 0.00 N ATOM 0 H LYS A 73 -9.203 6.550 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.660 5.198 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.974 6.105 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.690 5.751 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.539 7.625 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.284 8.170 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.966 7.402 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.812 8.940 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.024 9.791 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.556 8.877 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.468 8.415 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.513 7.012 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.935 7.898 -9.154 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.148 3.417 -5.214 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.733 2.084 -5.635 1.00 0.00 C ATOM 1142 C ASP A 74 -8.581 1.150 -4.438 1.00 0.00 C ATOM 1143 O ASP A 74 -7.767 0.227 -4.458 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.414 2.159 -6.407 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.627 2.262 -7.905 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -8.451 3.097 -8.332 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.968 1.507 -8.651 1.00 0.00 O ATOM 0 H ASP A 74 -8.386 4.017 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.509 1.682 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.844 3.022 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.817 1.274 -6.188 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.371 1.393 -3.397 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.324 0.572 -2.194 1.00 0.00 C ATOM 1154 C VAL A 75 -10.505 -0.393 -2.146 1.00 0.00 C ATOM 1155 O VAL A 75 -11.652 0.021 -1.975 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.329 1.436 -0.918 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.153 0.568 0.319 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -8.242 2.498 -0.989 1.00 0.00 C ATOM 0 H VAL A 75 -10.051 2.152 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.393 0.007 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.294 1.938 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.159 1.197 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.970 -0.152 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.204 0.036 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.260 3.099 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.269 2.017 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.417 3.141 -1.852 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.217 -1.682 -2.297 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.255 -2.705 -2.271 1.00 0.00 C ATOM 1170 C GLN A 76 -11.844 -2.849 -0.871 1.00 0.00 C ATOM 1171 O GLN A 76 -11.309 -2.308 0.097 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.691 -4.049 -2.739 1.00 0.00 C ATOM 1173 CG GLN A 76 -9.910 -3.961 -4.040 1.00 0.00 C ATOM 1174 CD GLN A 76 -8.798 -4.986 -4.122 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -7.619 -4.652 -3.998 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.166 -6.245 -4.333 1.00 0.00 N ATOM 0 H GLN A 76 -9.273 -2.042 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.049 -2.396 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.042 -4.452 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.512 -4.754 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.592 -4.102 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.486 -2.962 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.154 -6.478 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.460 -6.979 -4.398 1.00 0.00 H new ATOM 1185 N LYS A 77 -12.949 -3.580 -0.771 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.612 -3.794 0.511 1.00 0.00 C ATOM 1187 C LYS A 77 -13.442 -5.235 0.982 1.00 0.00 C ATOM 1188 O LYS A 77 -13.459 -5.512 2.181 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.099 -3.453 0.402 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.365 -2.026 -0.050 1.00 0.00 C ATOM 1191 CD LYS A 77 -15.750 -1.132 1.118 1.00 0.00 C ATOM 1192 CE LYS A 77 -15.461 0.330 0.819 1.00 0.00 C ATOM 1193 NZ LYS A 77 -15.546 1.174 2.043 1.00 0.00 N ATOM 0 H LYS A 77 -13.405 -4.035 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.147 -3.136 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.570 -4.141 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.572 -3.612 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.476 -1.626 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.164 -2.021 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.810 -1.257 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.201 -1.438 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.466 0.422 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.170 0.696 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.597 2.176 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.397 0.918 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.703 1.018 2.632 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.278 -6.150 0.032 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.106 -7.563 0.352 1.00 0.00 C ATOM 1209 C ASP A 78 -11.627 -7.938 0.391 1.00 0.00 C ATOM 1210 O ASP A 78 -11.234 -9.002 -0.087 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.840 -8.432 -0.671 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.462 -9.663 -0.044 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -13.719 -10.627 0.237 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.693 -9.665 0.166 1.00 0.00 O ATOM 0 H ASP A 78 -13.261 -5.939 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.531 -7.740 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.618 -7.841 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.142 -8.738 -1.451 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.812 -7.057 0.962 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.377 -7.297 1.063 1.00 0.00 C ATOM 1221 C TRP A 79 -9.074 -8.343 2.135 1.00 0.00 C ATOM 1222 O TRP A 79 -9.289 -8.102 3.323 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.643 -5.994 1.386 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.151 -6.135 1.374 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.313 -6.068 2.450 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.321 -6.367 0.231 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -5.012 -6.244 2.045 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.990 -6.430 0.687 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.572 -6.530 -1.134 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.917 -6.648 -0.172 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.506 -6.745 -1.987 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.194 -6.803 -1.504 1.00 0.00 C ATOM 0 H TRP A 79 -11.121 -6.171 1.362 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.028 -7.675 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.935 -5.232 0.663 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.960 -5.640 2.367 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.627 -5.901 3.470 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.195 -6.237 2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.581 -6.489 -1.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.903 -6.693 0.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.689 -6.870 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.383 -6.974 -2.196 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.568 -9.524 1.733 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.239 -10.602 2.674 1.00 0.00 C ATOM 1245 C PRO A 80 -7.259 -10.151 3.754 1.00 0.00 C ATOM 1246 O PRO A 80 -7.187 -10.749 4.828 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.597 -11.674 1.788 1.00 0.00 C ATOM 1248 CG PRO A 80 -8.106 -11.393 0.417 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.276 -9.904 0.339 1.00 0.00 C ATOM 0 HA PRO A 80 -9.120 -10.949 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.509 -11.617 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.875 -12.676 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.406 -11.746 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.052 -11.904 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.375 -9.415 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.088 -9.626 -0.333 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.507 -9.094 3.464 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.541 -8.584 4.421 1.00 0.00 C ATOM 1259 C GLY A 81 -6.166 -8.256 5.763 1.00 0.00 C ATOM 1260 O GLY A 81 -5.673 -8.683 6.807 1.00 0.00 O ATOM 0 H GLY A 81 -6.549 -8.581 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.751 -9.322 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.071 -7.688 4.015 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.257 -7.496 5.737 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.951 -7.111 6.960 1.00 0.00 C ATOM 1266 C TYR A 82 -8.705 -8.297 7.554 1.00 0.00 C ATOM 1267 O TYR A 82 -8.695 -9.395 6.998 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.922 -5.964 6.679 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.309 -4.830 5.888 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.137 -4.216 6.314 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.901 -4.375 4.717 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.574 -3.179 5.594 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.343 -3.339 3.992 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.181 -2.745 4.435 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.622 -1.713 3.715 1.00 0.00 O ATOM 0 H TYR A 82 -7.679 -7.135 4.882 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.206 -6.779 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.782 -6.353 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.295 -5.575 7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.659 -4.554 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.812 -4.838 4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.663 -2.711 5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.815 -2.997 3.083 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.718 -1.534 4.048 1.00 0.00 H new ATOM 1285 N SER A 83 -9.358 -8.067 8.689 1.00 0.00 N ATOM 1286 CA SER A 83 -10.116 -9.116 9.360 1.00 0.00 C ATOM 1287 C SER A 83 -11.392 -8.554 9.979 1.00 0.00 C ATOM 1288 O SER A 83 -12.498 -8.855 9.531 1.00 0.00 O ATOM 1289 CB SER A 83 -9.263 -9.784 10.439 1.00 0.00 C ATOM 1290 OG SER A 83 -9.514 -11.177 10.498 1.00 0.00 O ATOM 0 H SER A 83 -9.377 -7.164 9.163 1.00 0.00 H new ATOM 0 HA SER A 83 -10.392 -9.862 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.207 -9.610 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.476 -9.332 11.407 1.00 0.00 H new ATOM 0 HG SER A 83 -8.955 -11.581 11.194 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.230 -7.733 11.014 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.369 -7.129 11.694 1.00 0.00 C ATOM 1298 C GLU A 84 -12.059 -5.692 12.101 1.00 0.00 C ATOM 1299 O GLU A 84 -12.691 -4.751 11.622 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.747 -7.951 12.928 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.490 -9.235 12.599 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.951 -9.976 13.839 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -14.398 -9.310 14.796 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -13.866 -11.222 13.853 1.00 0.00 O ATOM 0 H GLU A 84 -10.322 -7.472 11.398 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.211 -7.118 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.841 -8.197 13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.367 -7.341 13.585 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.354 -9.001 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.842 -9.885 12.012 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.085 -5.530 12.990 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.709 -4.205 13.447 1.00 0.00 C ATOM 1313 C GLY A 85 -10.247 -3.310 12.314 1.00 0.00 C ATOM 1314 O GLY A 85 -10.707 -2.176 12.183 1.00 0.00 O ATOM 0 H GLY A 85 -10.549 -6.293 13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.559 -3.742 13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.912 -4.291 14.186 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.335 -3.821 11.494 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.810 -3.060 10.366 1.00 0.00 C ATOM 1320 C ASP A 86 -9.919 -2.718 9.377 1.00 0.00 C ATOM 1321 O ASP A 86 -9.881 -1.676 8.721 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.707 -3.850 9.660 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.504 -4.087 10.551 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.993 -3.108 11.133 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.072 -5.254 10.669 1.00 0.00 O ATOM 0 H ASP A 86 -8.944 -4.758 11.589 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.392 -2.130 10.751 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.106 -4.809 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.393 -3.311 8.766 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.907 -3.601 9.275 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.028 -3.393 8.365 1.00 0.00 C ATOM 1332 C GLN A 87 -12.823 -2.151 8.756 1.00 0.00 C ATOM 1333 O GLN A 87 -13.077 -1.278 7.927 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.944 -4.619 8.363 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.213 -5.924 8.098 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.437 -6.443 6.692 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -12.863 -5.703 5.804 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.151 -7.723 6.480 1.00 0.00 N ATOM 0 H GLN A 87 -10.954 -4.467 9.811 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.627 -3.245 7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.451 -4.685 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.716 -4.484 7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.145 -5.778 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.545 -6.674 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.800 -8.301 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.282 -8.128 5.553 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.210 -2.079 10.025 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.977 -0.944 10.527 1.00 0.00 C ATOM 1349 C GLN A 88 -13.146 0.335 10.485 1.00 0.00 C ATOM 1350 O GLN A 88 -13.666 1.417 10.219 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.449 -1.213 11.957 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.623 -2.174 12.040 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.586 -1.824 13.157 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -16.272 -1.984 14.336 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.768 -1.342 12.790 1.00 0.00 N ATOM 0 H GLN A 88 -13.005 -2.793 10.725 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.847 -0.812 9.884 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.618 -1.617 12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.730 -0.268 12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.158 -2.171 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.249 -3.186 12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.986 -1.226 11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.457 -1.088 13.498 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.850 0.201 10.751 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.946 1.345 10.744 1.00 0.00 C ATOM 1366 C LEU A 89 -10.825 1.933 9.342 1.00 0.00 C ATOM 1367 O LEU A 89 -10.936 3.145 9.155 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.566 0.933 11.259 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.659 2.091 11.681 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.268 2.846 12.854 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.273 1.577 12.037 1.00 0.00 C ATOM 0 H LEU A 89 -11.403 -0.688 10.974 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.359 2.108 11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.697 0.266 12.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.061 0.361 10.481 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.565 2.780 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.609 3.666 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.240 3.246 12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.392 2.168 13.698 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.640 2.413 12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.349 0.868 12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.835 1.081 11.171 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.594 1.067 8.361 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.456 1.500 6.975 1.00 0.00 C ATOM 1385 C LEU A 90 -11.713 2.222 6.500 1.00 0.00 C ATOM 1386 O LEU A 90 -11.649 3.109 5.649 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.171 0.300 6.070 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.008 0.632 4.586 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.556 0.951 4.267 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.504 -0.521 3.726 1.00 0.00 C ATOM 0 H LEU A 90 -10.498 0.061 8.500 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.618 2.195 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.262 -0.191 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.983 -0.419 6.179 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.609 1.513 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.459 1.185 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.233 1.808 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.933 0.089 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.381 -0.269 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.929 -1.418 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.558 -0.703 3.935 1.00 0.00 H new ATOM 1402 N LYS A 91 -12.858 1.836 7.057 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.130 2.445 6.689 1.00 0.00 C ATOM 1404 C LYS A 91 -14.148 3.929 7.043 1.00 0.00 C ATOM 1405 O LYS A 91 -14.375 4.780 6.183 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.285 1.729 7.393 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.672 0.412 6.739 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.719 -0.329 7.555 1.00 0.00 C ATOM 1409 CE LYS A 91 -16.917 -1.749 7.051 1.00 0.00 C ATOM 1410 NZ LYS A 91 -16.197 -2.742 7.896 1.00 0.00 N ATOM 0 H LYS A 91 -12.930 1.105 7.764 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.251 2.346 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.008 1.542 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.154 2.387 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.057 0.602 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.787 -0.214 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.416 -0.352 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.666 0.210 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.981 -1.985 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.563 -1.822 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.619 -3.683 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.194 -2.770 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.274 -2.467 8.896 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.908 4.233 8.315 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.899 5.614 8.782 1.00 0.00 C ATOM 1426 C ARG A 92 -12.844 6.433 8.043 1.00 0.00 C ATOM 1427 O ARG A 92 -13.006 7.638 7.846 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.638 5.664 10.288 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.264 5.147 10.687 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.834 5.696 12.038 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.381 4.916 13.146 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.471 5.366 14.395 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -12.050 6.588 14.700 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -12.983 4.593 15.343 1.00 0.00 N ATOM 0 H ARG A 92 -13.717 3.541 9.040 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.878 6.047 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.744 6.693 10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.400 5.077 10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.280 4.058 10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.533 5.429 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.746 5.698 12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.160 6.732 12.129 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.713 3.972 12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.655 7.187 13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.122 6.927 15.659 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.308 3.653 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.052 4.938 16.300 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.765 5.773 7.637 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.685 6.441 6.921 1.00 0.00 C ATOM 1450 C VAL A 93 -11.151 6.924 5.551 1.00 0.00 C ATOM 1451 O VAL A 93 -10.852 8.046 5.142 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.470 5.510 6.740 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.298 6.272 6.139 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.080 4.874 8.067 1.00 0.00 C ATOM 0 H VAL A 93 -11.615 4.776 7.792 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.388 7.299 7.524 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.746 4.713 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.449 5.599 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.585 6.672 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.019 7.092 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.220 4.220 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.823 5.655 8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.917 4.291 8.451 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.885 6.070 4.846 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.392 6.411 3.521 1.00 0.00 C ATOM 1466 C LEU A 94 -13.389 7.562 3.601 1.00 0.00 C ATOM 1467 O LEU A 94 -13.501 8.364 2.674 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.054 5.191 2.875 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.083 4.144 2.327 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.784 2.805 2.151 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.486 4.612 1.008 1.00 0.00 C ATOM 0 H LEU A 94 -12.142 5.137 5.169 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.549 6.726 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.701 4.715 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.694 5.532 2.062 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.274 4.015 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.077 2.073 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.164 2.464 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.613 2.917 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.797 3.856 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.284 4.769 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.948 5.547 1.164 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.114 7.635 4.713 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.101 8.688 4.913 1.00 0.00 C ATOM 1485 C VAL A 95 -14.439 9.987 5.360 1.00 0.00 C ATOM 1486 O VAL A 95 -14.911 11.078 5.043 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.157 8.279 5.957 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.284 9.299 6.007 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.697 6.890 5.654 1.00 0.00 C ATOM 0 H VAL A 95 -14.036 6.977 5.489 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.592 8.845 3.952 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.680 8.252 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.020 8.992 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.880 10.275 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.761 9.362 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.442 6.618 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.157 6.886 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.880 6.169 5.677 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.340 9.861 6.099 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.613 11.025 6.590 1.00 0.00 C ATOM 1501 C ARG A 96 -11.952 11.778 5.439 1.00 0.00 C ATOM 1502 O ARG A 96 -11.817 13.001 5.483 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.554 10.597 7.608 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.092 10.461 9.023 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.237 11.815 9.697 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.230 11.706 11.154 1.00 0.00 N ATOM 1507 CZ ARG A 96 -11.130 11.512 11.878 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -9.947 11.405 11.284 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -11.212 11.425 13.199 1.00 0.00 N ATOM 0 H ARG A 96 -12.935 8.965 6.370 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.327 11.691 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.127 9.643 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.743 11.325 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.060 9.960 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.422 9.832 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.424 12.467 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.167 12.283 9.373 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.121 11.783 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.878 11.471 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.107 11.256 11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.118 11.507 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.369 11.276 13.754 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.543 11.040 4.413 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.897 11.639 3.250 1.00 0.00 C ATOM 1525 C LYS A 97 -11.929 12.042 2.202 1.00 0.00 C ATOM 1526 O LYS A 97 -11.985 13.198 1.785 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.890 10.662 2.642 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.872 10.137 3.641 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.688 11.082 3.775 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.449 10.355 4.274 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.214 10.589 5.727 1.00 0.00 N ATOM 0 H LYS A 97 -11.647 10.027 4.363 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.371 12.535 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.430 9.820 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.364 11.157 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.348 10.007 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.522 9.155 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.477 11.542 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.940 11.888 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.557 9.286 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.580 10.689 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.360 10.076 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.085 11.607 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.032 10.247 6.270 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.742 11.080 1.780 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.772 11.335 0.779 1.00 0.00 C ATOM 1547 C LEU A 98 -14.997 11.986 1.413 1.00 0.00 C ATOM 1548 O LEU A 98 -15.628 11.414 2.302 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.174 10.031 0.087 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.007 9.153 -0.366 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.495 7.753 -0.706 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.303 9.779 -1.561 1.00 0.00 C ATOM 0 H LEU A 98 -12.708 10.117 2.115 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.361 12.020 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.800 9.454 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.786 10.272 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.292 9.078 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.652 7.142 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.955 7.304 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.229 7.809 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.475 9.141 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.009 9.883 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.920 10.761 -1.284 1.00 0.00 H new ATOM 1564 N SER A 99 -15.329 13.187 0.950 1.00 0.00 N ATOM 1565 CA SER A 99 -16.479 13.918 1.470 1.00 0.00 C ATOM 1566 C SER A 99 -17.081 14.818 0.397 1.00 0.00 C ATOM 1567 O SER A 99 -16.373 15.591 -0.248 1.00 0.00 O ATOM 1568 CB SER A 99 -16.071 14.753 2.684 1.00 0.00 C ATOM 1569 OG SER A 99 -15.981 13.952 3.850 1.00 0.00 O ATOM 0 H SER A 99 -14.817 13.675 0.215 1.00 0.00 H new ATOM 0 HA SER A 99 -17.233 13.192 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.110 15.232 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.798 15.549 2.842 1.00 0.00 H new ATOM 0 HG SER A 99 -15.937 13.007 3.595 1.00 0.00 H new ATOM 1575 N GLY A 100 -18.392 14.714 0.212 1.00 0.00 N ATOM 1576 CA GLY A 100 -19.067 15.525 -0.784 1.00 0.00 C ATOM 1577 C GLY A 100 -18.716 15.113 -2.202 1.00 0.00 C ATOM 1578 O GLY A 100 -17.708 15.562 -2.748 1.00 0.00 O ATOM 0 H GLY A 100 -19.000 14.083 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -20.145 15.447 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.801 16.572 -0.637 1.00 0.00 H new ATOM 1582 N PRO A 101 -19.534 14.251 -2.832 1.00 0.00 N ATOM 1583 CA PRO A 101 -19.288 13.787 -4.201 1.00 0.00 C ATOM 1584 C PRO A 101 -19.438 14.905 -5.226 1.00 0.00 C ATOM 1585 O PRO A 101 -20.548 15.231 -5.647 1.00 0.00 O ATOM 1586 CB PRO A 101 -20.361 12.716 -4.416 1.00 0.00 C ATOM 1587 CG PRO A 101 -21.444 13.062 -3.455 1.00 0.00 C ATOM 1588 CD PRO A 101 -20.760 13.662 -2.259 1.00 0.00 C ATOM 0 HA PRO A 101 -18.270 13.418 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -20.727 12.723 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -19.967 11.718 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -22.147 13.768 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -22.015 12.177 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -21.381 14.416 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -20.531 12.908 -1.506 1.00 0.00 H new ATOM 1596 N SER A 102 -18.313 15.492 -5.623 1.00 0.00 N ATOM 1597 CA SER A 102 -18.318 16.574 -6.600 1.00 0.00 C ATOM 1598 C SER A 102 -16.947 16.726 -7.251 1.00 0.00 C ATOM 1599 O SER A 102 -15.951 16.202 -6.752 1.00 0.00 O ATOM 1600 CB SER A 102 -18.726 17.889 -5.932 1.00 0.00 C ATOM 1601 OG SER A 102 -19.906 17.726 -5.163 1.00 0.00 O ATOM 0 H SER A 102 -17.386 15.236 -5.283 1.00 0.00 H new ATOM 0 HA SER A 102 -19.043 16.327 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.917 18.242 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.887 18.653 -6.693 1.00 0.00 H new ATOM 0 HG SER A 102 -20.421 16.968 -5.510 1.00 0.00 H new ATOM 1607 N SER A 103 -16.904 17.445 -8.368 1.00 0.00 N ATOM 1608 CA SER A 103 -15.655 17.665 -9.087 1.00 0.00 C ATOM 1609 C SER A 103 -15.274 19.141 -9.075 1.00 0.00 C ATOM 1610 O SER A 103 -15.607 19.886 -9.998 1.00 0.00 O ATOM 1611 CB SER A 103 -15.779 17.169 -10.529 1.00 0.00 C ATOM 1612 OG SER A 103 -14.507 16.865 -11.076 1.00 0.00 O ATOM 0 H SER A 103 -17.719 17.885 -8.794 1.00 0.00 H new ATOM 0 HA SER A 103 -14.870 17.102 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 103 -16.412 16.282 -10.558 1.00 0.00 H new ATOM 0 HB3 SER A 103 -16.268 17.930 -11.138 1.00 0.00 H new ATOM 0 HG SER A 103 -14.614 16.549 -11.997 1.00 0.00 H new ATOM 1618 N GLY A 104 -14.573 19.558 -8.026 1.00 0.00 N ATOM 1619 CA GLY A 104 -14.159 20.945 -7.916 1.00 0.00 C ATOM 1620 C GLY A 104 -13.328 21.205 -6.674 1.00 0.00 C ATOM 1621 O GLY A 104 -13.732 22.060 -5.858 1.00 0.00 O ATOM 1622 OXT GLY A 104 -12.274 20.553 -6.518 1.00 0.00 O ATOM 0 H GLY A 104 -14.284 18.961 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.583 21.220 -8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.042 21.584 -7.899 1.00 0.00 H new TER 1626 GLY A 104