USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 827 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 43 LYS NZ :NH3+ -161:sc= -0.954 (180deg=-1.15) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.111 K(o=-1.1,f=-2.1) USER MOD Single : A 9 MET CE :methyl 162:sc= -0.139 (180deg=-0.627) USER MOD Single : A 12 GLN : amide:sc= 0.542 K(o=0.54,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00286 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -44:sc= 0.741 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0626) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 1.27 (180deg=0.564) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0542) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 1.23 (180deg=-0.543!) USER MOD Single : A 55 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.8) USER MOD Single : A 58 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.65) USER MOD Single : A 60 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.5!) USER MOD Single : A 62 SER OG : rot 69:sc= 0.363 USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00455 USER MOD Single : A 67 SER OG : rot 91:sc= 1.24 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0332) USER MOD Single : A 70 TYR OH : rot -90:sc= 0.266 USER MOD Single : A 75 HIS : no HE2:sc= 0.271 K(o=0.27,f=-1.4) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 80 GLN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 87 TYR OH : rot -140:sc= 0 USER MOD Single : A 89 CYS SG : rot 95:sc= 1.63 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -42:sc= -4.7! USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= -5.54! (180deg=-6.1!) USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= 1.15 (180deg=-0.00251) USER MOD Single : A 99 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 100 SER OG : rot 97:sc= -0.704! USER MOD Single : A 101 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.18) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.358 K(o=-0.36,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -18.630 -9.594 -1.302 1.00 0.70 N ATOM 14 CA ASP A 2 -19.706 -9.140 -2.154 1.00 0.72 C ATOM 15 C ASP A 2 -19.126 -8.343 -3.324 1.00 0.70 C ATOM 16 O ASP A 2 -17.932 -8.070 -3.344 1.00 0.75 O ATOM 17 CB ASP A 2 -20.590 -8.229 -1.337 1.00 0.79 C ATOM 18 CG ASP A 2 -21.706 -8.932 -0.598 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.683 -9.349 -1.240 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.622 -9.014 0.648 1.00 1.65 O ATOM 0 HA ASP A 2 -20.270 -9.990 -2.538 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -19.972 -7.697 -0.614 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.025 -7.479 -1.997 1.00 0.79 H new ATOM 25 N PRO A 3 -19.942 -7.931 -4.305 1.00 0.71 N ATOM 26 CA PRO A 3 -19.467 -7.088 -5.400 1.00 0.72 C ATOM 27 C PRO A 3 -19.313 -5.612 -5.004 1.00 0.66 C ATOM 28 O PRO A 3 -20.158 -4.773 -5.309 1.00 0.97 O ATOM 29 CB PRO A 3 -20.532 -7.259 -6.492 1.00 0.84 C ATOM 30 CG PRO A 3 -21.508 -8.271 -5.970 1.00 0.94 C ATOM 31 CD PRO A 3 -21.353 -8.283 -4.476 1.00 0.81 C ATOM 0 HA PRO A 3 -18.469 -7.384 -5.721 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.029 -6.312 -6.703 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.082 -7.598 -7.425 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.527 -8.008 -6.252 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -21.306 -9.257 -6.389 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.013 -7.563 -3.993 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.583 -9.260 -4.051 1.00 0.81 H new ATOM 39 N ILE A 4 -18.234 -5.326 -4.285 1.00 0.45 N ATOM 40 CA ILE A 4 -17.826 -3.954 -3.966 1.00 0.41 C ATOM 41 C ILE A 4 -16.834 -3.500 -5.008 1.00 0.41 C ATOM 42 O ILE A 4 -17.072 -2.552 -5.753 1.00 0.50 O ATOM 43 CB ILE A 4 -17.158 -3.889 -2.567 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.222 -3.806 -1.468 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.157 -2.735 -2.441 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.163 -4.986 -1.455 1.00 0.46 C ATOM 0 H ILE A 4 -17.612 -6.039 -3.903 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.706 -3.310 -3.959 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.589 -4.811 -2.444 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.728 -3.734 -0.499 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.800 -2.891 -1.600 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.721 -2.739 -1.442 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.367 -2.856 -3.182 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.670 -1.788 -2.609 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.890 -4.863 -0.653 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.684 -5.047 -2.411 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.595 -5.902 -1.292 1.00 0.46 H new ATOM 58 N GLY A 5 -15.721 -4.204 -5.037 1.00 0.36 N ATOM 59 CA GLY A 5 -14.669 -3.875 -5.966 1.00 0.39 C ATOM 60 C GLY A 5 -13.578 -3.155 -5.244 1.00 0.33 C ATOM 61 O GLY A 5 -12.930 -2.263 -5.779 1.00 0.33 O ATOM 0 H GLY A 5 -15.526 -5.001 -4.431 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.278 -4.782 -6.427 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.061 -3.252 -6.770 1.00 0.39 H new ATOM 65 N LEU A 6 -13.438 -3.556 -3.991 1.00 0.32 N ATOM 66 CA LEU A 6 -12.458 -3.029 -3.063 1.00 0.29 C ATOM 67 C LEU A 6 -11.121 -2.814 -3.735 1.00 0.29 C ATOM 68 O LEU A 6 -10.485 -1.781 -3.567 1.00 0.33 O ATOM 69 CB LEU A 6 -12.303 -4.041 -1.943 1.00 0.29 C ATOM 70 CG LEU A 6 -12.313 -3.479 -0.535 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.512 -2.571 -0.309 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.335 -4.625 0.437 1.00 0.28 C ATOM 0 H LEU A 6 -14.025 -4.282 -3.581 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.795 -2.063 -2.686 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.107 -4.772 -2.027 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.366 -4.578 -2.092 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.417 -2.876 -0.385 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.489 -2.185 0.710 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.477 -1.740 -1.013 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.431 -3.137 -0.462 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.342 -4.238 1.456 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.229 -5.226 0.271 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.450 -5.244 0.290 1.00 0.28 H new ATOM 84 N PHE A 7 -10.723 -3.791 -4.514 1.00 0.30 N ATOM 85 CA PHE A 7 -9.477 -3.730 -5.217 1.00 0.32 C ATOM 86 C PHE A 7 -9.697 -3.162 -6.600 1.00 0.29 C ATOM 87 O PHE A 7 -9.894 -3.886 -7.578 1.00 0.32 O ATOM 88 CB PHE A 7 -8.857 -5.113 -5.278 1.00 0.41 C ATOM 89 CG PHE A 7 -7.535 -5.190 -4.584 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.317 -4.480 -3.413 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.515 -5.978 -5.086 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.111 -4.557 -2.758 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.305 -6.052 -4.435 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.106 -5.343 -3.269 1.00 0.61 C ATOM 0 H PHE A 7 -11.256 -4.646 -4.674 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.787 -3.072 -4.689 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.541 -5.832 -4.827 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.731 -5.403 -6.321 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.104 -3.859 -3.011 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.669 -6.539 -5.996 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.954 -4.002 -1.845 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.512 -6.665 -4.837 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.158 -5.406 -2.756 1.00 0.61 H new ATOM 104 N VAL A 8 -9.704 -1.847 -6.644 1.00 0.28 N ATOM 105 CA VAL A 8 -9.874 -1.115 -7.883 1.00 0.34 C ATOM 106 C VAL A 8 -8.573 -1.158 -8.672 1.00 0.44 C ATOM 107 O VAL A 8 -8.570 -1.186 -9.904 1.00 0.63 O ATOM 108 CB VAL A 8 -10.275 0.347 -7.597 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.698 1.050 -8.877 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.379 0.404 -6.544 1.00 0.33 C ATOM 0 H VAL A 8 -9.592 -1.254 -5.822 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.670 -1.578 -8.466 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.406 0.872 -7.201 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.977 2.079 -8.652 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.870 1.045 -9.586 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.551 0.530 -9.313 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.649 1.443 -6.355 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.253 -0.138 -6.904 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.024 -0.052 -5.620 1.00 0.33 H new ATOM 120 N MET A 9 -7.470 -1.173 -7.937 1.00 0.43 N ATOM 121 CA MET A 9 -6.146 -1.348 -8.511 1.00 0.65 C ATOM 122 C MET A 9 -5.141 -1.616 -7.404 1.00 0.44 C ATOM 123 O MET A 9 -5.173 -0.968 -6.357 1.00 0.44 O ATOM 124 CB MET A 9 -5.707 -0.126 -9.315 1.00 1.05 C ATOM 125 CG MET A 9 -4.375 -0.331 -10.011 1.00 1.45 C ATOM 126 SD MET A 9 -4.418 -1.669 -11.218 1.00 2.35 S ATOM 127 CE MET A 9 -5.645 -1.049 -12.371 1.00 2.88 C ATOM 0 H MET A 9 -7.470 -1.064 -6.923 1.00 0.43 H new ATOM 0 HA MET A 9 -6.190 -2.197 -9.193 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.469 0.107 -10.059 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.636 0.735 -8.650 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.085 0.594 -10.510 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.609 -0.545 -9.265 1.00 1.45 H new ATOM 0 HE1 MET A 9 -5.559 -1.584 -13.317 1.00 2.88 H new ATOM 0 HE2 MET A 9 -6.642 -1.200 -11.958 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.480 0.015 -12.540 1.00 2.88 H new ATOM 137 N ARG A 10 -4.255 -2.563 -7.646 1.00 0.47 N ATOM 138 CA ARG A 10 -3.262 -2.961 -6.671 1.00 0.41 C ATOM 139 C ARG A 10 -1.893 -2.423 -7.069 1.00 0.39 C ATOM 140 O ARG A 10 -1.605 -2.276 -8.258 1.00 0.45 O ATOM 141 CB ARG A 10 -3.214 -4.490 -6.586 1.00 0.46 C ATOM 142 CG ARG A 10 -2.847 -5.154 -7.905 1.00 0.97 C ATOM 143 CD ARG A 10 -2.800 -6.668 -7.792 1.00 1.34 C ATOM 144 NE ARG A 10 -2.225 -7.277 -8.991 1.00 2.11 N ATOM 145 CZ ARG A 10 -1.698 -8.498 -9.030 1.00 2.72 C ATOM 146 NH1 ARG A 10 -1.809 -9.314 -7.986 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.091 -8.913 -10.133 1.00 3.67 N ATOM 0 H ARG A 10 -4.205 -3.078 -8.525 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.532 -2.551 -5.698 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.489 -4.782 -5.826 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.186 -4.860 -6.259 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.573 -4.871 -8.667 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -1.876 -4.786 -8.237 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.210 -6.951 -6.920 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.807 -7.054 -7.634 1.00 1.34 H new ATOM 0 HE ARG A 10 -2.228 -6.731 -9.852 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -2.301 -9.005 -7.147 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -1.402 -10.249 -8.024 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.030 -8.298 -10.944 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -0.685 -9.848 -10.171 1.00 3.67 H new ATOM 161 N PRO A 11 -1.028 -2.115 -6.097 1.00 0.43 N ATOM 162 CA PRO A 11 0.327 -1.699 -6.390 1.00 0.50 C ATOM 163 C PRO A 11 1.202 -2.900 -6.704 1.00 0.47 C ATOM 164 O PRO A 11 0.827 -4.041 -6.425 1.00 0.54 O ATOM 165 CB PRO A 11 0.799 -0.995 -5.122 1.00 0.62 C ATOM 166 CG PRO A 11 -0.150 -1.378 -4.040 1.00 0.64 C ATOM 167 CD PRO A 11 -1.294 -2.155 -4.656 1.00 0.53 C ATOM 0 HA PRO A 11 0.380 -1.048 -7.263 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.816 -1.295 -4.869 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.811 0.086 -5.261 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.357 -1.983 -3.288 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.526 -0.489 -3.533 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.323 -3.180 -4.286 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.256 -1.702 -4.417 1.00 0.53 H new ATOM 175 N GLN A 12 2.355 -2.646 -7.287 1.00 0.44 N ATOM 176 CA GLN A 12 3.222 -3.702 -7.752 1.00 0.43 C ATOM 177 C GLN A 12 4.590 -3.573 -7.124 1.00 0.37 C ATOM 178 O GLN A 12 4.824 -2.652 -6.345 1.00 0.40 O ATOM 179 CB GLN A 12 3.296 -3.631 -9.266 1.00 0.55 C ATOM 180 CG GLN A 12 1.946 -3.882 -9.912 1.00 0.73 C ATOM 181 CD GLN A 12 1.498 -5.331 -9.790 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.735 -6.142 -10.685 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.884 -5.686 -8.662 1.00 1.32 N ATOM 0 H GLN A 12 2.714 -1.705 -7.450 1.00 0.44 H new ATOM 0 HA GLN A 12 2.824 -4.674 -7.460 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.665 -2.650 -9.566 1.00 0.55 H new ATOM 0 HB3 GLN A 12 4.014 -4.366 -9.629 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.200 -3.235 -9.450 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.995 -3.609 -10.966 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.702 -4.990 -7.939 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.596 -6.654 -8.521 1.00 1.32 H new ATOM 192 N ASP A 13 5.480 -4.496 -7.460 1.00 0.34 N ATOM 193 CA ASP A 13 6.763 -4.584 -6.881 1.00 0.33 C ATOM 194 C ASP A 13 7.632 -3.417 -7.307 1.00 0.36 C ATOM 195 O ASP A 13 7.179 -2.293 -7.527 1.00 0.50 O ATOM 196 CB ASP A 13 7.393 -5.889 -7.372 1.00 0.35 C ATOM 197 CG ASP A 13 6.473 -7.086 -7.261 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.320 -7.630 -6.153 1.00 2.06 O ATOM 199 OD2 ASP A 13 5.908 -7.493 -8.298 1.00 1.03 O ATOM 0 H ASP A 13 5.300 -5.212 -8.164 1.00 0.34 H new ATOM 0 HA ASP A 13 6.682 -4.562 -5.794 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.694 -5.768 -8.413 1.00 0.35 H new ATOM 0 HB3 ASP A 13 8.299 -6.083 -6.798 1.00 0.35 H new ATOM 204 N GLY A 14 8.877 -3.729 -7.465 1.00 0.30 N ATOM 205 CA GLY A 14 9.858 -2.749 -7.812 1.00 0.30 C ATOM 206 C GLY A 14 11.220 -3.126 -7.312 1.00 0.25 C ATOM 207 O GLY A 14 11.404 -3.532 -6.169 1.00 0.28 O ATOM 0 H GLY A 14 9.245 -4.674 -7.357 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.888 -2.632 -8.895 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.571 -1.784 -7.395 1.00 0.30 H new ATOM 211 N GLU A 15 12.157 -3.015 -8.201 1.00 0.26 N ATOM 212 CA GLU A 15 13.553 -3.235 -7.896 1.00 0.25 C ATOM 213 C GLU A 15 14.266 -1.907 -7.966 1.00 0.23 C ATOM 214 O GLU A 15 14.353 -1.307 -9.036 1.00 0.30 O ATOM 215 CB GLU A 15 14.187 -4.210 -8.881 1.00 0.33 C ATOM 216 CG GLU A 15 13.584 -5.603 -8.862 1.00 0.69 C ATOM 217 CD GLU A 15 14.442 -6.592 -9.616 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.657 -6.666 -9.338 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.889 -7.320 -10.472 1.00 1.53 O ATOM 0 H GLU A 15 11.981 -2.766 -9.174 1.00 0.26 H new ATOM 0 HA GLU A 15 13.638 -3.668 -6.899 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.095 -3.802 -9.887 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.252 -4.286 -8.663 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.467 -5.935 -7.830 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.588 -5.575 -9.303 1.00 0.69 H new ATOM 226 N VAL A 16 14.760 -1.436 -6.839 1.00 0.20 N ATOM 227 CA VAL A 16 15.286 -0.138 -6.744 1.00 0.21 C ATOM 228 C VAL A 16 16.587 -0.223 -6.002 1.00 0.22 C ATOM 229 O VAL A 16 16.880 -1.207 -5.341 1.00 0.27 O ATOM 230 CB VAL A 16 14.321 0.804 -6.004 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.889 0.608 -6.483 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.421 0.645 -4.490 1.00 0.23 C ATOM 0 H VAL A 16 14.797 -1.968 -5.969 1.00 0.20 H new ATOM 0 HA VAL A 16 15.435 0.268 -7.744 1.00 0.21 H new ATOM 0 HB VAL A 16 14.620 1.825 -6.242 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.229 1.287 -5.943 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.831 0.818 -7.551 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.581 -0.421 -6.298 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.723 1.328 -4.006 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.175 -0.381 -4.215 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.436 0.874 -4.166 1.00 0.23 H new ATOM 242 N THR A 17 17.341 0.800 -6.136 1.00 0.23 N ATOM 243 CA THR A 17 18.619 0.924 -5.474 1.00 0.27 C ATOM 244 C THR A 17 18.424 1.693 -4.174 1.00 0.28 C ATOM 245 O THR A 17 17.485 2.490 -4.061 1.00 0.28 O ATOM 246 CB THR A 17 19.611 1.687 -6.368 1.00 0.35 C ATOM 247 OG1 THR A 17 19.178 1.616 -7.733 1.00 0.77 O ATOM 248 CG2 THR A 17 21.018 1.126 -6.261 1.00 0.56 C ATOM 0 H THR A 17 17.099 1.602 -6.718 1.00 0.23 H new ATOM 0 HA THR A 17 19.018 -0.070 -5.272 1.00 0.27 H new ATOM 0 HB THR A 17 19.634 2.722 -6.028 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.809 2.104 -8.302 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.686 1.694 -6.908 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.362 1.201 -5.229 1.00 0.56 H new ATOM 0 HG23 THR A 17 21.017 0.080 -6.568 1.00 0.56 H new ATOM 256 N VAL A 18 19.283 1.457 -3.199 1.00 0.31 N ATOM 257 CA VAL A 18 19.227 2.219 -1.975 1.00 0.35 C ATOM 258 C VAL A 18 19.646 3.617 -2.284 1.00 0.36 C ATOM 259 O VAL A 18 20.817 3.931 -2.497 1.00 0.39 O ATOM 260 CB VAL A 18 20.145 1.726 -0.864 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.766 2.359 0.467 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.141 0.219 -0.759 1.00 0.78 C ATOM 0 H VAL A 18 20.018 0.751 -3.234 1.00 0.31 H new ATOM 0 HA VAL A 18 18.203 2.124 -1.613 1.00 0.35 H new ATOM 0 HB VAL A 18 21.160 2.032 -1.119 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.434 1.993 1.247 1.00 0.76 H new ATOM 0 HG12 VAL A 18 19.854 3.443 0.393 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.738 2.095 0.716 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.808 -0.091 0.045 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.130 -0.128 -0.546 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.482 -0.212 -1.700 1.00 0.78 H new ATOM 272 N GLY A 19 18.667 4.420 -2.313 1.00 0.38 N ATOM 273 CA GLY A 19 18.848 5.824 -2.560 1.00 0.45 C ATOM 274 C GLY A 19 18.069 6.308 -3.757 1.00 0.40 C ATOM 275 O GLY A 19 18.310 7.410 -4.251 1.00 0.48 O ATOM 0 H GLY A 19 17.697 4.140 -2.167 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.540 6.387 -1.679 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.908 6.028 -2.714 1.00 0.45 H new ATOM 279 N GLY A 20 17.146 5.490 -4.259 1.00 0.32 N ATOM 280 CA GLY A 20 16.257 5.974 -5.249 1.00 0.32 C ATOM 281 C GLY A 20 14.930 6.254 -4.657 1.00 0.30 C ATOM 282 O GLY A 20 14.774 7.039 -3.727 1.00 0.44 O ATOM 0 H GLY A 20 17.015 4.515 -3.989 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.661 6.881 -5.698 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.158 5.240 -6.049 1.00 0.32 H new ATOM 286 N SER A 21 13.986 5.610 -5.221 1.00 0.24 N ATOM 287 CA SER A 21 12.651 5.667 -4.796 1.00 0.22 C ATOM 288 C SER A 21 11.942 4.386 -5.130 1.00 0.22 C ATOM 289 O SER A 21 12.454 3.532 -5.849 1.00 0.25 O ATOM 290 CB SER A 21 11.967 6.822 -5.467 1.00 0.30 C ATOM 291 OG SER A 21 12.269 6.872 -6.851 1.00 0.82 O ATOM 0 H SER A 21 14.132 5.002 -6.027 1.00 0.24 H new ATOM 0 HA SER A 21 12.624 5.805 -3.715 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.889 6.736 -5.332 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.275 7.754 -4.993 1.00 0.30 H new ATOM 0 HG SER A 21 11.807 7.634 -7.259 1.00 0.82 H new ATOM 297 N ILE A 22 10.779 4.282 -4.580 1.00 0.22 N ATOM 298 CA ILE A 22 9.826 3.297 -4.914 1.00 0.24 C ATOM 299 C ILE A 22 8.462 3.909 -4.719 1.00 0.25 C ATOM 300 O ILE A 22 8.253 4.831 -3.936 1.00 0.27 O ATOM 301 CB ILE A 22 9.984 1.996 -4.121 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.021 0.938 -4.634 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.804 2.191 -2.625 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.315 0.469 -6.044 1.00 0.32 C ATOM 0 H ILE A 22 10.459 4.918 -3.849 1.00 0.22 H new ATOM 0 HA ILE A 22 9.974 2.998 -5.952 1.00 0.24 H new ATOM 0 HB ILE A 22 11.009 1.659 -4.276 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.050 0.079 -3.963 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.007 1.336 -4.599 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.927 1.235 -2.116 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.549 2.896 -2.258 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.806 2.582 -2.426 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.584 -0.285 -6.336 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.257 1.315 -6.728 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.316 0.039 -6.083 1.00 0.32 H new ATOM 316 N THR A 23 7.576 3.444 -5.487 1.00 0.25 N ATOM 317 CA THR A 23 6.243 4.005 -5.521 1.00 0.23 C ATOM 318 C THR A 23 5.205 2.920 -5.642 1.00 0.24 C ATOM 319 O THR A 23 5.313 2.016 -6.469 1.00 0.28 O ATOM 320 CB THR A 23 6.052 5.028 -6.653 1.00 0.26 C ATOM 321 OG1 THR A 23 7.142 5.960 -6.658 1.00 0.31 O ATOM 322 CG2 THR A 23 4.737 5.789 -6.482 1.00 0.24 C ATOM 0 H THR A 23 7.724 2.661 -6.124 1.00 0.25 H new ATOM 0 HA THR A 23 6.114 4.533 -4.576 1.00 0.23 H new ATOM 0 HB THR A 23 6.025 4.488 -7.599 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.015 6.608 -7.382 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.624 6.507 -7.294 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.905 5.086 -6.501 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.744 6.318 -5.529 1.00 0.24 H new ATOM 330 N PHE A 24 4.224 3.025 -4.794 1.00 0.24 N ATOM 331 CA PHE A 24 3.094 2.142 -4.800 1.00 0.27 C ATOM 332 C PHE A 24 1.827 2.972 -4.786 1.00 0.24 C ATOM 333 O PHE A 24 1.791 4.058 -4.219 1.00 0.30 O ATOM 334 CB PHE A 24 3.123 1.244 -3.568 1.00 0.40 C ATOM 335 CG PHE A 24 4.430 0.541 -3.350 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.760 -0.574 -4.095 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.324 0.998 -2.400 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.961 -1.224 -3.898 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.526 0.356 -2.197 1.00 0.51 C ATOM 340 CZ PHE A 24 6.845 -0.759 -2.949 1.00 0.49 C ATOM 0 H PHE A 24 4.186 3.739 -4.066 1.00 0.24 H new ATOM 0 HA PHE A 24 3.126 1.517 -5.693 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.896 1.846 -2.688 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.333 0.499 -3.657 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.070 -0.941 -4.840 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.077 1.868 -1.810 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.208 -2.095 -4.486 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.217 0.723 -1.452 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.786 -1.265 -2.793 1.00 0.49 H new ATOM 350 N SER A 25 0.809 2.453 -5.410 1.00 0.28 N ATOM 351 CA SER A 25 -0.490 3.068 -5.429 1.00 0.28 C ATOM 352 C SER A 25 -1.550 1.996 -5.293 1.00 0.27 C ATOM 353 O SER A 25 -1.579 1.013 -6.033 1.00 0.31 O ATOM 354 CB SER A 25 -0.723 3.831 -6.717 1.00 0.35 C ATOM 355 OG SER A 25 0.419 4.586 -7.100 1.00 0.58 O ATOM 0 H SER A 25 0.857 1.576 -5.929 1.00 0.28 H new ATOM 0 HA SER A 25 -0.545 3.771 -4.598 1.00 0.28 H new ATOM 0 HB2 SER A 25 -0.979 3.131 -7.512 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.575 4.499 -6.594 1.00 0.35 H new ATOM 0 HG SER A 25 0.231 5.063 -7.935 1.00 0.58 H new ATOM 361 N ALA A 26 -2.401 2.212 -4.345 1.00 0.26 N ATOM 362 CA ALA A 26 -3.454 1.273 -3.994 1.00 0.26 C ATOM 363 C ALA A 26 -4.822 1.939 -4.083 1.00 0.22 C ATOM 364 O ALA A 26 -5.104 2.897 -3.370 1.00 0.25 O ATOM 365 CB ALA A 26 -3.210 0.725 -2.592 1.00 0.32 C ATOM 0 H ALA A 26 -2.397 3.057 -3.773 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.439 0.445 -4.703 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -4.002 0.022 -2.333 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.247 0.214 -2.563 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.206 1.547 -1.876 1.00 0.32 H new ATOM 371 N ARG A 27 -5.660 1.439 -4.975 1.00 0.22 N ATOM 372 CA ARG A 27 -6.993 1.992 -5.166 1.00 0.25 C ATOM 373 C ARG A 27 -8.035 1.117 -4.487 1.00 0.23 C ATOM 374 O ARG A 27 -8.162 -0.062 -4.817 1.00 0.31 O ATOM 375 CB ARG A 27 -7.322 2.099 -6.654 1.00 0.36 C ATOM 376 CG ARG A 27 -6.471 3.098 -7.417 1.00 0.28 C ATOM 377 CD ARG A 27 -6.906 3.160 -8.872 1.00 0.46 C ATOM 378 NE ARG A 27 -6.210 4.198 -9.627 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.750 4.852 -10.660 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.990 4.581 -11.047 1.00 1.46 N ATOM 381 NH2 ARG A 27 -6.041 5.775 -11.298 1.00 2.43 N ATOM 0 H ARG A 27 -5.441 0.648 -5.581 1.00 0.22 H new ATOM 0 HA ARG A 27 -7.010 2.987 -4.721 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.204 1.116 -7.111 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.370 2.377 -6.762 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.560 4.084 -6.962 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.421 2.812 -7.356 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.726 2.193 -9.342 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.980 3.342 -8.918 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.258 4.438 -9.350 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -8.534 3.872 -10.556 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -8.399 5.082 -11.836 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -5.088 5.983 -10.999 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -6.449 6.277 -12.087 1.00 2.43 H new ATOM 395 N VAL A 28 -8.795 1.693 -3.565 1.00 0.19 N ATOM 396 CA VAL A 28 -9.776 0.944 -2.831 1.00 0.20 C ATOM 397 C VAL A 28 -11.132 1.599 -2.939 1.00 0.23 C ATOM 398 O VAL A 28 -11.299 2.797 -2.713 1.00 0.24 O ATOM 399 CB VAL A 28 -9.427 0.786 -1.351 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.340 -0.256 -0.717 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.962 0.421 -1.189 1.00 0.23 C ATOM 0 H VAL A 28 -8.742 2.681 -3.315 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.791 -0.049 -3.280 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.586 1.734 -0.837 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.089 -0.366 0.338 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.378 0.064 -0.811 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.208 -1.212 -1.223 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.729 0.312 -0.130 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.762 -0.519 -1.703 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.341 1.208 -1.618 1.00 0.23 H new ATOM 411 N ALA A 29 -12.070 0.785 -3.314 1.00 0.29 N ATOM 412 CA ALA A 29 -13.454 1.171 -3.463 1.00 0.32 C ATOM 413 C ALA A 29 -14.066 1.655 -2.154 1.00 0.34 C ATOM 414 O ALA A 29 -14.359 0.866 -1.259 1.00 0.40 O ATOM 415 CB ALA A 29 -14.248 0.003 -4.001 1.00 0.38 C ATOM 0 H ALA A 29 -11.897 -0.196 -3.533 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.490 2.006 -4.163 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.292 0.294 -4.114 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.847 -0.294 -4.970 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.178 -0.835 -3.308 1.00 0.38 H new ATOM 421 N GLY A 30 -14.240 2.962 -2.067 1.00 0.35 N ATOM 422 CA GLY A 30 -14.960 3.574 -0.964 1.00 0.42 C ATOM 423 C GLY A 30 -16.388 3.072 -0.878 1.00 0.50 C ATOM 424 O GLY A 30 -16.945 2.973 0.207 1.00 0.76 O ATOM 0 H GLY A 30 -13.888 3.627 -2.756 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.442 3.361 -0.029 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.962 4.657 -1.087 1.00 0.42 H new ATOM 428 N ALA A 31 -16.984 2.841 -2.048 1.00 0.49 N ATOM 429 CA ALA A 31 -18.184 2.028 -2.201 1.00 0.55 C ATOM 430 C ALA A 31 -19.374 2.521 -1.372 1.00 0.64 C ATOM 431 O ALA A 31 -19.416 3.666 -0.922 1.00 0.71 O ATOM 432 CB ALA A 31 -17.864 0.568 -1.877 1.00 0.58 C ATOM 0 H ALA A 31 -16.638 3.221 -2.929 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.494 2.119 -3.242 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.764 -0.036 -1.993 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.093 0.205 -2.557 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.506 0.493 -0.850 1.00 0.58 H new ATOM 438 N SER A 32 -20.358 1.644 -1.206 1.00 0.85 N ATOM 439 CA SER A 32 -21.512 1.924 -0.363 1.00 0.96 C ATOM 440 C SER A 32 -21.574 0.902 0.776 1.00 1.01 C ATOM 441 O SER A 32 -22.649 0.521 1.245 1.00 1.69 O ATOM 442 CB SER A 32 -22.795 1.880 -1.198 1.00 1.19 C ATOM 443 OG SER A 32 -23.932 2.200 -0.414 1.00 1.74 O ATOM 0 H SER A 32 -20.378 0.725 -1.649 1.00 0.85 H new ATOM 0 HA SER A 32 -21.416 2.922 0.064 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.715 2.581 -2.029 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.916 0.887 -1.630 1.00 1.19 H new ATOM 0 HG SER A 32 -23.876 1.737 0.448 1.00 1.74 H new ATOM 449 N LEU A 33 -20.395 0.452 1.181 1.00 0.96 N ATOM 450 CA LEU A 33 -20.216 -0.482 2.302 1.00 0.93 C ATOM 451 C LEU A 33 -20.819 -0.007 3.635 1.00 0.90 C ATOM 452 O LEU A 33 -21.456 1.042 3.722 1.00 0.98 O ATOM 453 CB LEU A 33 -18.718 -0.790 2.503 1.00 0.99 C ATOM 454 CG LEU A 33 -17.738 0.389 2.699 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.795 0.439 1.524 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.413 1.748 2.890 1.00 1.95 C ATOM 0 H LEU A 33 -19.518 0.725 0.738 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.767 -1.379 2.020 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.628 -1.442 3.372 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.379 -1.361 1.639 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.202 0.200 3.629 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.098 1.268 1.651 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.239 -0.497 1.464 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.365 0.582 0.606 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.652 2.517 3.020 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.017 1.980 2.013 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.051 1.716 3.773 1.00 1.95 H new ATOM 468 N LEU A 34 -20.585 -0.806 4.677 1.00 0.87 N ATOM 469 CA LEU A 34 -21.045 -0.486 6.019 1.00 0.89 C ATOM 470 C LEU A 34 -20.269 0.709 6.553 1.00 0.84 C ATOM 471 O LEU A 34 -20.842 1.703 6.991 1.00 0.95 O ATOM 472 CB LEU A 34 -20.841 -1.690 6.934 1.00 1.01 C ATOM 473 CG LEU A 34 -21.486 -1.563 8.308 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.989 -1.786 8.214 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.843 -2.533 9.287 1.00 1.47 C ATOM 0 H LEU A 34 -20.074 -1.686 4.610 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.106 -0.239 5.988 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.241 -2.576 6.441 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.771 -1.853 7.064 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.322 -0.552 8.681 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.434 -1.692 9.205 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.426 -1.042 7.548 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.185 -2.784 7.822 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.315 -2.430 10.264 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.973 -3.553 8.927 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.779 -2.312 9.373 1.00 1.47 H new ATOM 487 N LYS A 35 -18.955 0.579 6.516 1.00 0.76 N ATOM 488 CA LYS A 35 -18.057 1.675 6.825 1.00 0.76 C ATOM 489 C LYS A 35 -16.893 1.639 5.852 1.00 0.65 C ATOM 490 O LYS A 35 -16.515 0.551 5.406 1.00 0.75 O ATOM 491 CB LYS A 35 -17.590 1.631 8.296 1.00 0.90 C ATOM 492 CG LYS A 35 -17.204 0.253 8.836 1.00 0.92 C ATOM 493 CD LYS A 35 -15.902 -0.263 8.246 1.00 0.90 C ATOM 494 CE LYS A 35 -15.057 -1.000 9.285 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.803 -2.092 9.970 1.00 1.40 N ATOM 0 H LYS A 35 -18.481 -0.290 6.271 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.585 2.622 6.710 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.732 2.295 8.404 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.386 2.034 8.921 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.111 0.305 9.921 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.003 -0.455 8.618 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.121 -0.933 7.415 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.331 0.572 7.840 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.176 -1.418 8.799 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.702 -0.287 10.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -15.148 -2.642 10.562 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.548 -1.681 10.568 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.235 -2.716 9.259 1.00 1.40 H new ATOM 509 N PRO A 36 -16.353 2.818 5.476 1.00 0.65 N ATOM 510 CA PRO A 36 -15.281 2.937 4.475 1.00 0.56 C ATOM 511 C PRO A 36 -14.207 1.879 4.665 1.00 0.45 C ATOM 512 O PRO A 36 -13.849 1.559 5.802 1.00 0.47 O ATOM 513 CB PRO A 36 -14.726 4.336 4.734 1.00 0.61 C ATOM 514 CG PRO A 36 -15.904 5.109 5.221 1.00 0.88 C ATOM 515 CD PRO A 36 -16.740 4.138 6.015 1.00 0.88 C ATOM 0 HA PRO A 36 -15.638 2.792 3.456 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.927 4.317 5.475 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.309 4.774 3.827 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.590 5.950 5.839 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.472 5.521 4.387 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.532 4.211 7.083 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.805 4.327 5.884 1.00 0.88 H new ATOM 523 N PRO A 37 -13.683 1.310 3.562 1.00 0.40 N ATOM 524 CA PRO A 37 -12.755 0.193 3.649 1.00 0.35 C ATOM 525 C PRO A 37 -11.581 0.478 4.555 1.00 0.32 C ATOM 526 O PRO A 37 -10.981 1.553 4.512 1.00 0.36 O ATOM 527 CB PRO A 37 -12.258 -0.024 2.230 1.00 0.40 C ATOM 528 CG PRO A 37 -12.800 1.090 1.397 1.00 0.53 C ATOM 529 CD PRO A 37 -13.915 1.739 2.165 1.00 0.47 C ATOM 0 HA PRO A 37 -13.255 -0.679 4.071 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.168 -0.031 2.201 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.593 -0.988 1.848 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.018 1.815 1.174 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.164 0.710 0.442 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.886 2.825 2.071 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.891 1.414 1.804 1.00 0.47 H new ATOM 537 N VAL A 38 -11.251 -0.501 5.362 1.00 0.29 N ATOM 538 CA VAL A 38 -10.124 -0.399 6.231 1.00 0.27 C ATOM 539 C VAL A 38 -9.005 -1.080 5.537 1.00 0.22 C ATOM 540 O VAL A 38 -8.935 -2.302 5.441 1.00 0.20 O ATOM 541 CB VAL A 38 -10.302 -1.087 7.578 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.331 -0.525 8.605 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.733 -0.994 8.063 1.00 0.77 C ATOM 0 H VAL A 38 -11.759 -1.383 5.428 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.961 0.659 6.438 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.074 -2.145 7.445 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.477 -1.032 9.559 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.308 -0.683 8.263 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.511 0.543 8.730 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.824 -1.495 9.027 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.013 0.054 8.171 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.394 -1.473 7.341 1.00 0.77 H new ATOM 553 N VAL A 39 -8.168 -0.276 5.037 1.00 0.22 N ATOM 554 CA VAL A 39 -7.031 -0.726 4.320 1.00 0.21 C ATOM 555 C VAL A 39 -5.833 -0.508 5.182 1.00 0.20 C ATOM 556 O VAL A 39 -5.473 0.621 5.528 1.00 0.23 O ATOM 557 CB VAL A 39 -6.814 0.036 3.015 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.009 -0.803 2.028 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.134 0.496 2.417 1.00 0.24 C ATOM 0 H VAL A 39 -8.244 0.739 5.109 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.187 -1.776 4.071 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.235 0.932 3.238 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.866 -0.241 1.105 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.038 -1.042 2.461 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.547 -1.726 1.811 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.945 1.035 1.489 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.762 -0.371 2.211 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.643 1.154 3.121 1.00 0.24 H new ATOM 569 N LYS A 40 -5.255 -1.587 5.544 1.00 0.19 N ATOM 570 CA LYS A 40 -4.038 -1.578 6.258 1.00 0.20 C ATOM 571 C LYS A 40 -2.921 -1.931 5.343 1.00 0.19 C ATOM 572 O LYS A 40 -2.938 -2.919 4.604 1.00 0.21 O ATOM 573 CB LYS A 40 -4.077 -2.501 7.462 1.00 0.26 C ATOM 574 CG LYS A 40 -4.532 -3.915 7.150 1.00 0.31 C ATOM 575 CD LYS A 40 -3.366 -4.831 6.774 1.00 0.37 C ATOM 576 CE LYS A 40 -2.751 -5.494 7.998 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.671 -6.496 8.601 1.00 1.54 N ATOM 0 H LYS A 40 -5.620 -2.519 5.349 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.877 -0.572 6.645 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.083 -2.541 7.907 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.744 -2.074 8.211 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.050 -4.327 8.016 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.251 -3.891 6.331 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.715 -5.598 6.082 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.603 -4.253 6.252 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.817 -5.980 7.718 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.505 -4.733 8.739 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.116 -7.222 9.098 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.305 -6.023 9.276 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.236 -6.944 7.851 1.00 1.54 H new ATOM 591 N TRP A 41 -2.004 -1.049 5.354 1.00 0.18 N ATOM 592 CA TRP A 41 -0.787 -1.219 4.634 1.00 0.19 C ATOM 593 C TRP A 41 0.229 -1.972 5.442 1.00 0.21 C ATOM 594 O TRP A 41 0.277 -1.885 6.671 1.00 0.28 O ATOM 595 CB TRP A 41 -0.221 0.121 4.252 1.00 0.21 C ATOM 596 CG TRP A 41 -0.965 0.754 3.146 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.120 1.460 3.239 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.619 0.705 1.766 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.477 1.918 1.993 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.579 1.449 1.074 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.423 0.117 1.055 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.528 1.615 -0.301 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.467 0.278 -0.313 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.506 1.025 -0.978 1.00 0.33 C ATOM 0 H TRP A 41 -2.068 -0.170 5.868 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.013 -1.796 3.737 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.237 0.780 5.120 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.823 0.002 3.962 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.673 1.635 4.150 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.281 2.511 1.787 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.183 -0.455 1.566 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.277 2.195 -0.819 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.265 -0.180 -0.878 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.447 1.137 -2.051 1.00 0.33 H new ATOM 615 N PHE A 42 1.039 -2.690 4.723 1.00 0.21 N ATOM 616 CA PHE A 42 2.204 -3.307 5.268 1.00 0.23 C ATOM 617 C PHE A 42 3.329 -2.823 4.404 1.00 0.26 C ATOM 618 O PHE A 42 3.164 -2.683 3.196 1.00 0.34 O ATOM 619 CB PHE A 42 2.109 -4.838 5.268 1.00 0.26 C ATOM 620 CG PHE A 42 3.083 -5.502 6.207 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.779 -5.651 7.554 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.306 -5.971 5.751 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.673 -6.255 8.419 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.206 -6.574 6.614 1.00 0.50 C ATOM 625 CZ PHE A 42 4.887 -6.717 7.949 1.00 0.60 C ATOM 0 H PHE A 42 0.904 -2.864 3.727 1.00 0.21 H new ATOM 0 HA PHE A 42 2.344 -3.042 6.316 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.096 -5.131 5.542 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.284 -5.205 4.257 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.833 -5.291 7.930 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.560 -5.864 4.707 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.422 -6.366 9.464 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.155 -6.931 6.243 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.585 -7.189 8.625 1.00 0.60 H new ATOM 635 N LYS A 43 4.422 -2.499 5.016 1.00 0.28 N ATOM 636 CA LYS A 43 5.528 -1.896 4.336 1.00 0.31 C ATOM 637 C LYS A 43 6.504 -3.020 4.070 1.00 0.39 C ATOM 638 O LYS A 43 6.201 -4.121 4.463 1.00 0.81 O ATOM 639 CB LYS A 43 6.093 -0.740 5.200 1.00 0.40 C ATOM 640 CG LYS A 43 7.411 -0.125 4.763 1.00 0.54 C ATOM 641 CD LYS A 43 7.772 1.013 5.706 1.00 0.67 C ATOM 642 CE LYS A 43 9.218 1.447 5.568 1.00 1.29 C ATOM 643 NZ LYS A 43 9.660 2.262 6.735 1.00 2.17 N ATOM 0 H LYS A 43 4.576 -2.646 6.013 1.00 0.28 H new ATOM 0 HA LYS A 43 5.265 -1.432 3.386 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.345 0.053 5.234 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.214 -1.108 6.219 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.197 -0.880 4.768 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.331 0.246 3.741 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.120 1.864 5.509 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.586 0.701 6.734 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.855 0.567 5.475 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.339 2.026 4.652 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.511 2.802 6.479 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.901 2.919 7.007 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.877 1.634 7.535 1.00 2.17 H new ATOM 657 N GLY A 44 7.536 -2.736 3.283 1.00 0.64 N ATOM 658 CA GLY A 44 8.716 -3.588 3.031 1.00 0.92 C ATOM 659 C GLY A 44 9.027 -4.701 4.042 1.00 0.39 C ATOM 660 O GLY A 44 8.240 -5.030 4.856 1.00 1.23 O ATOM 0 H GLY A 44 7.584 -1.856 2.769 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.592 -4.051 2.052 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.590 -2.939 2.968 1.00 0.92 H new ATOM 664 N LYS A 45 10.156 -5.362 3.866 1.00 0.85 N ATOM 665 CA LYS A 45 10.444 -6.721 4.389 1.00 1.06 C ATOM 666 C LYS A 45 9.966 -7.054 5.834 1.00 0.74 C ATOM 667 O LYS A 45 10.040 -8.214 6.239 1.00 0.82 O ATOM 668 CB LYS A 45 11.966 -6.867 4.390 1.00 1.67 C ATOM 669 CG LYS A 45 12.452 -8.274 4.136 1.00 2.44 C ATOM 670 CD LYS A 45 13.913 -8.442 4.539 1.00 2.82 C ATOM 671 CE LYS A 45 14.118 -8.202 6.030 1.00 2.98 C ATOM 672 NZ LYS A 45 13.451 -9.232 6.868 1.00 3.87 N ATOM 0 H LYS A 45 10.937 -4.970 3.339 1.00 0.85 H new ATOM 0 HA LYS A 45 9.889 -7.401 3.743 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.384 -6.207 3.630 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.352 -6.529 5.352 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.836 -8.979 4.694 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.335 -8.515 3.080 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.248 -9.447 4.283 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.530 -7.746 3.970 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.185 -8.194 6.250 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.731 -7.218 6.293 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.730 -9.105 7.862 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.419 -9.134 6.783 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.736 -10.179 6.547 1.00 3.87 H new ATOM 686 N TRP A 46 9.502 -6.079 6.605 1.00 0.58 N ATOM 687 CA TRP A 46 9.025 -6.326 7.969 1.00 0.57 C ATOM 688 C TRP A 46 8.139 -5.202 8.515 1.00 0.63 C ATOM 689 O TRP A 46 7.558 -5.317 9.596 1.00 0.74 O ATOM 690 CB TRP A 46 10.224 -6.425 8.878 1.00 0.76 C ATOM 691 CG TRP A 46 11.288 -5.433 8.539 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.188 -5.528 7.525 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.544 -4.194 9.194 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.974 -4.414 7.483 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.611 -3.580 8.513 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.973 -3.544 10.290 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.115 -2.341 8.892 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.476 -2.316 10.666 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.536 -1.726 9.971 1.00 2.11 C ATOM 0 H TRP A 46 9.444 -5.104 6.312 1.00 0.58 H new ATOM 0 HA TRP A 46 8.432 -7.240 7.937 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.906 -6.273 9.909 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.639 -7.431 8.817 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.269 -6.366 6.849 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.709 -4.230 6.800 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.154 -3.994 10.832 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.932 -1.881 8.356 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.044 -1.802 11.512 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.907 -0.764 10.292 1.00 2.11 H new ATOM 710 N VAL A 47 8.051 -4.138 7.767 1.00 0.63 N ATOM 711 CA VAL A 47 7.683 -2.878 8.260 1.00 0.74 C ATOM 712 C VAL A 47 6.212 -2.596 8.089 1.00 0.59 C ATOM 713 O VAL A 47 5.486 -3.259 7.359 1.00 0.57 O ATOM 714 CB VAL A 47 8.493 -1.779 7.556 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.107 -0.876 8.586 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.574 -2.353 6.635 1.00 1.29 C ATOM 0 H VAL A 47 8.244 -4.144 6.765 1.00 0.63 H new ATOM 0 HA VAL A 47 7.898 -2.883 9.329 1.00 0.74 H new ATOM 0 HB VAL A 47 7.810 -1.211 6.924 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.682 -0.095 8.089 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.319 -0.420 9.186 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.766 -1.456 9.232 1.00 1.20 H new ATOM 0 HG21 VAL A 47 10.119 -1.537 6.161 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.266 -2.960 7.220 1.00 1.29 H new ATOM 0 HG23 VAL A 47 9.108 -2.972 5.868 1.00 1.29 H new ATOM 726 N ASP A 48 5.827 -1.591 8.798 1.00 0.60 N ATOM 727 CA ASP A 48 4.532 -1.014 8.775 1.00 0.56 C ATOM 728 C ASP A 48 4.621 0.395 8.219 1.00 0.58 C ATOM 729 O ASP A 48 5.672 1.034 8.279 1.00 0.96 O ATOM 730 CB ASP A 48 3.991 -0.951 10.192 1.00 0.73 C ATOM 731 CG ASP A 48 4.927 -0.246 11.140 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.947 -0.844 11.542 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.657 0.921 11.470 1.00 2.22 O ATOM 0 H ASP A 48 6.453 -1.121 9.452 1.00 0.60 H new ATOM 0 HA ASP A 48 3.873 -1.617 8.151 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.030 -0.437 10.187 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.809 -1.963 10.553 1.00 0.73 H new ATOM 738 N LEU A 49 3.536 0.853 7.658 1.00 0.39 N ATOM 739 CA LEU A 49 3.389 2.252 7.284 1.00 0.35 C ATOM 740 C LEU A 49 2.613 3.028 8.323 1.00 0.41 C ATOM 741 O LEU A 49 2.908 4.186 8.570 1.00 0.44 O ATOM 742 CB LEU A 49 2.667 2.398 5.946 1.00 0.29 C ATOM 743 CG LEU A 49 3.378 1.828 4.736 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.071 0.375 4.540 1.00 0.36 C ATOM 745 CD2 LEU A 49 2.974 2.559 3.495 1.00 0.28 C ATOM 0 H LEU A 49 2.723 0.276 7.443 1.00 0.39 H new ATOM 0 HA LEU A 49 4.399 2.654 7.206 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.692 1.917 6.029 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.485 3.458 5.769 1.00 0.29 H new ATOM 0 HG LEU A 49 4.446 1.947 4.919 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.601 0.006 3.662 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.390 -0.186 5.418 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.998 0.246 4.397 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.495 2.135 2.637 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.898 2.463 3.350 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.234 3.613 3.593 1.00 0.28 H new ATOM 757 N SER A 50 1.680 2.366 8.976 1.00 0.48 N ATOM 758 CA SER A 50 0.686 3.031 9.788 1.00 0.58 C ATOM 759 C SER A 50 1.374 3.819 10.876 1.00 0.62 C ATOM 760 O SER A 50 0.817 4.777 11.414 1.00 0.70 O ATOM 761 CB SER A 50 -0.266 1.993 10.398 1.00 0.73 C ATOM 762 OG SER A 50 -1.365 2.596 11.061 1.00 1.23 O ATOM 0 H SER A 50 1.591 1.350 8.958 1.00 0.48 H new ATOM 0 HA SER A 50 0.104 3.714 9.169 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.635 1.335 9.611 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.283 1.369 11.103 1.00 0.73 H new ATOM 0 HG SER A 50 -1.945 1.899 11.432 1.00 1.23 H new ATOM 768 N SER A 51 2.594 3.413 11.207 1.00 0.64 N ATOM 769 CA SER A 51 3.318 4.110 12.214 1.00 0.75 C ATOM 770 C SER A 51 4.395 5.027 11.647 1.00 0.72 C ATOM 771 O SER A 51 4.767 6.026 12.261 1.00 0.85 O ATOM 772 CB SER A 51 3.897 3.144 13.231 1.00 0.90 C ATOM 773 OG SER A 51 2.912 2.736 14.164 1.00 1.34 O ATOM 0 H SER A 51 3.079 2.618 10.791 1.00 0.64 H new ATOM 0 HA SER A 51 2.602 4.758 12.720 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.301 2.271 12.719 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.726 3.618 13.756 1.00 0.90 H new ATOM 0 HG SER A 51 3.309 2.113 14.808 1.00 1.34 H new ATOM 779 N LYS A 52 4.898 4.667 10.484 1.00 0.62 N ATOM 780 CA LYS A 52 6.006 5.330 9.866 1.00 0.66 C ATOM 781 C LYS A 52 5.573 6.591 9.155 1.00 0.67 C ATOM 782 O LYS A 52 5.677 7.694 9.689 1.00 1.09 O ATOM 783 CB LYS A 52 6.596 4.343 8.881 1.00 0.65 C ATOM 784 CG LYS A 52 7.534 3.360 9.504 1.00 0.70 C ATOM 785 CD LYS A 52 6.935 2.632 10.700 1.00 0.78 C ATOM 786 CE LYS A 52 7.977 1.812 11.439 1.00 1.02 C ATOM 787 NZ LYS A 52 7.398 1.122 12.621 1.00 1.40 N ATOM 0 H LYS A 52 4.533 3.887 9.938 1.00 0.62 H new ATOM 0 HA LYS A 52 6.736 5.635 10.616 1.00 0.66 H new ATOM 0 HB2 LYS A 52 5.786 3.800 8.394 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.124 4.893 8.102 1.00 0.65 H new ATOM 0 HG2 LYS A 52 7.833 2.628 8.754 1.00 0.70 H new ATOM 0 HG3 LYS A 52 8.438 3.881 9.820 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.492 3.357 11.383 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.130 1.979 10.362 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.407 1.074 10.761 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.791 2.462 11.760 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 8.115 1.058 13.371 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 6.579 1.659 12.970 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.094 0.165 12.350 1.00 1.40 H new ATOM 801 N VAL A 53 5.134 6.358 7.933 1.00 0.34 N ATOM 802 CA VAL A 53 4.479 7.308 7.063 1.00 0.32 C ATOM 803 C VAL A 53 4.758 8.762 7.414 1.00 0.33 C ATOM 804 O VAL A 53 4.122 9.364 8.280 1.00 0.37 O ATOM 805 CB VAL A 53 2.996 6.960 7.070 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.101 8.065 6.531 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.791 5.716 6.253 1.00 0.35 C ATOM 0 H VAL A 53 5.233 5.441 7.497 1.00 0.34 H new ATOM 0 HA VAL A 53 4.885 7.224 6.055 1.00 0.32 H new ATOM 0 HB VAL A 53 2.709 6.813 8.111 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.061 7.742 6.569 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.224 8.962 7.138 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.375 8.285 5.499 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.733 5.454 6.249 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.125 5.893 5.231 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.366 4.897 6.686 1.00 0.35 H new ATOM 817 N GLY A 54 5.744 9.299 6.733 1.00 0.35 N ATOM 818 CA GLY A 54 6.141 10.664 6.965 1.00 0.41 C ATOM 819 C GLY A 54 6.964 11.247 5.837 1.00 0.44 C ATOM 820 O GLY A 54 6.418 11.650 4.812 1.00 0.70 O ATOM 0 H GLY A 54 6.283 8.812 6.017 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.250 11.275 7.109 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.716 10.716 7.890 1.00 0.41 H new ATOM 824 N GLN A 55 8.279 11.271 6.017 1.00 0.36 N ATOM 825 CA GLN A 55 9.162 11.988 5.101 1.00 0.43 C ATOM 826 C GLN A 55 9.509 11.161 3.862 1.00 0.39 C ATOM 827 O GLN A 55 9.326 11.627 2.743 1.00 0.50 O ATOM 828 CB GLN A 55 10.435 12.433 5.841 1.00 0.61 C ATOM 829 CG GLN A 55 11.299 13.424 5.063 1.00 1.43 C ATOM 830 CD GLN A 55 12.209 12.765 4.041 1.00 2.08 C ATOM 831 OE1 GLN A 55 12.670 11.637 4.237 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.463 13.455 2.941 1.00 2.69 N ATOM 0 H GLN A 55 8.758 10.804 6.787 1.00 0.36 H new ATOM 0 HA GLN A 55 8.628 12.870 4.747 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.150 12.885 6.791 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.033 11.552 6.074 1.00 0.61 H new ATOM 0 HG2 GLN A 55 10.651 14.137 4.554 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.908 13.993 5.766 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.062 14.385 2.818 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.060 13.057 2.216 1.00 2.69 H new ATOM 841 N HIS A 56 10.013 9.942 4.048 1.00 0.36 N ATOM 842 CA HIS A 56 10.457 9.142 2.899 1.00 0.41 C ATOM 843 C HIS A 56 9.338 8.246 2.378 1.00 0.35 C ATOM 844 O HIS A 56 9.247 7.972 1.193 1.00 0.42 O ATOM 845 CB HIS A 56 11.691 8.306 3.259 1.00 0.54 C ATOM 846 CG HIS A 56 11.395 7.011 3.942 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.174 5.842 3.257 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.266 6.709 5.254 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.905 4.880 4.115 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.960 5.379 5.338 1.00 1.33 N ATOM 0 H HIS A 56 10.124 9.492 4.957 1.00 0.36 H new ATOM 0 HA HIS A 56 10.729 9.835 2.103 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.251 8.099 2.347 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.339 8.900 3.903 1.00 0.54 H new ATOM 0 HD1 HIS A 56 11.212 5.735 2.243 1.00 0.87 H new ATOM 0 HD2 HIS A 56 11.383 7.392 6.082 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.678 3.855 3.862 1.00 1.11 H new ATOM 859 N LEU A 57 8.517 7.786 3.294 1.00 0.28 N ATOM 860 CA LEU A 57 7.327 7.014 2.984 1.00 0.25 C ATOM 861 C LEU A 57 6.153 7.875 3.384 1.00 0.23 C ATOM 862 O LEU A 57 5.886 8.037 4.558 1.00 0.29 O ATOM 863 CB LEU A 57 7.345 5.679 3.797 1.00 0.38 C ATOM 864 CG LEU A 57 6.127 4.712 3.800 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.937 4.163 5.190 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.827 5.315 3.287 1.00 1.10 C ATOM 0 H LEU A 57 8.656 7.938 4.293 1.00 0.28 H new ATOM 0 HA LEU A 57 7.270 6.752 1.928 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.203 5.106 3.446 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.542 5.944 4.836 1.00 0.38 H new ATOM 0 HG LEU A 57 6.366 3.919 3.092 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.084 3.484 5.200 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.834 3.623 5.494 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.755 4.984 5.884 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.037 4.565 3.328 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.551 6.167 3.908 1.00 1.10 H new ATOM 0 HD23 LEU A 57 4.961 5.646 2.257 1.00 1.10 H new ATOM 878 N GLN A 58 5.475 8.418 2.410 1.00 0.20 N ATOM 879 CA GLN A 58 4.191 8.989 2.604 1.00 0.21 C ATOM 880 C GLN A 58 3.185 7.985 2.109 1.00 0.18 C ATOM 881 O GLN A 58 3.157 7.632 0.935 1.00 0.19 O ATOM 882 CB GLN A 58 4.029 10.281 1.799 1.00 0.27 C ATOM 883 CG GLN A 58 5.166 11.271 1.951 1.00 0.46 C ATOM 884 CD GLN A 58 6.267 11.085 0.935 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.210 11.622 -0.167 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.292 10.356 1.313 1.00 0.28 N ATOM 0 H GLN A 58 5.813 8.472 1.449 1.00 0.20 H new ATOM 0 HA GLN A 58 4.052 9.229 3.658 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.927 10.025 0.744 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.101 10.766 2.100 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.770 12.283 1.865 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.587 11.178 2.952 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.299 9.927 2.238 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.081 10.219 0.681 1.00 0.28 H new ATOM 895 N LEU A 59 2.390 7.529 3.012 1.00 0.20 N ATOM 896 CA LEU A 59 1.252 6.715 2.687 1.00 0.20 C ATOM 897 C LEU A 59 0.073 7.667 2.673 1.00 0.21 C ATOM 898 O LEU A 59 -0.531 7.965 3.704 1.00 0.23 O ATOM 899 CB LEU A 59 1.079 5.586 3.735 1.00 0.23 C ATOM 900 CG LEU A 59 0.124 4.429 3.419 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.156 3.688 4.710 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.153 4.904 2.765 1.00 0.23 C ATOM 0 H LEU A 59 2.505 7.707 4.010 1.00 0.20 H new ATOM 0 HA LEU A 59 1.357 6.213 1.725 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.063 5.159 3.927 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.745 6.046 4.665 1.00 0.23 H new ATOM 0 HG LEU A 59 0.593 3.760 2.697 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.835 2.858 4.513 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.778 3.304 5.119 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.614 4.368 5.428 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.797 4.049 2.560 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.668 5.595 3.432 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.916 5.411 1.830 1.00 0.23 H new ATOM 914 N HIS A 60 -0.208 8.171 1.499 1.00 0.22 N ATOM 915 CA HIS A 60 -1.285 9.069 1.281 1.00 0.25 C ATOM 916 C HIS A 60 -2.529 8.307 0.990 1.00 0.24 C ATOM 917 O HIS A 60 -2.513 7.133 0.646 1.00 0.26 O ATOM 918 CB HIS A 60 -1.017 10.023 0.127 1.00 0.37 C ATOM 919 CG HIS A 60 0.036 11.052 0.383 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.897 11.493 -0.596 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.343 11.759 1.498 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.688 12.421 -0.100 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.372 12.608 1.168 1.00 2.03 N ATOM 0 H HIS A 60 0.325 7.956 0.656 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.397 9.658 2.191 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.727 9.439 -0.746 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.947 10.533 -0.125 1.00 0.37 H new ATOM 0 HD1 HIS A 60 0.919 11.153 -1.557 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -0.132 11.672 2.464 1.00 1.65 H new ATOM 0 HE1 HIS A 60 2.465 12.942 -0.640 1.00 1.91 H new ATOM 932 N ASP A 61 -3.577 9.017 1.146 1.00 0.29 N ATOM 933 CA ASP A 61 -4.898 8.546 0.915 1.00 0.32 C ATOM 934 C ASP A 61 -5.723 9.633 0.294 1.00 0.35 C ATOM 935 O ASP A 61 -5.957 10.700 0.862 1.00 0.48 O ATOM 936 CB ASP A 61 -5.566 8.050 2.169 1.00 0.44 C ATOM 937 CG ASP A 61 -5.449 8.990 3.354 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.361 9.049 3.966 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.438 9.686 3.672 1.00 0.92 O ATOM 0 H ASP A 61 -3.544 9.989 1.453 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.822 7.697 0.236 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.622 7.878 1.960 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.133 7.087 2.440 1.00 0.44 H new ATOM 944 N SER A 62 -6.109 9.336 -0.894 1.00 0.29 N ATOM 945 CA SER A 62 -6.978 10.188 -1.670 1.00 0.32 C ATOM 946 C SER A 62 -8.402 9.716 -1.509 1.00 0.32 C ATOM 947 O SER A 62 -8.651 8.538 -1.280 1.00 0.41 O ATOM 948 CB SER A 62 -6.596 10.179 -3.143 1.00 0.40 C ATOM 949 OG SER A 62 -5.192 10.083 -3.307 1.00 0.47 O ATOM 0 H SER A 62 -5.832 8.481 -1.376 1.00 0.29 H new ATOM 0 HA SER A 62 -6.876 11.210 -1.306 1.00 0.32 H new ATOM 0 HB2 SER A 62 -7.081 9.340 -3.642 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.959 11.088 -3.621 1.00 0.40 H new ATOM 0 HG SER A 62 -4.890 9.194 -3.026 1.00 0.47 H new ATOM 955 N TYR A 63 -9.324 10.633 -1.607 1.00 0.38 N ATOM 956 CA TYR A 63 -10.715 10.328 -1.410 1.00 0.45 C ATOM 957 C TYR A 63 -11.559 10.854 -2.541 1.00 0.47 C ATOM 958 O TYR A 63 -11.862 12.042 -2.643 1.00 0.54 O ATOM 959 CB TYR A 63 -11.186 10.841 -0.056 1.00 0.64 C ATOM 960 CG TYR A 63 -12.684 11.014 0.076 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.539 9.930 -0.043 1.00 0.84 C ATOM 962 CD2 TYR A 63 -13.236 12.266 0.320 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.904 10.087 0.079 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.602 12.430 0.445 1.00 1.06 C ATOM 965 CZ TYR A 63 -15.429 11.337 0.324 1.00 1.07 C ATOM 966 OH TYR A 63 -16.791 11.494 0.450 1.00 1.39 O ATOM 0 H TYR A 63 -9.134 11.611 -1.825 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.833 9.244 -1.412 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.846 10.151 0.716 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.706 11.800 0.140 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -13.131 8.948 -0.234 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.587 13.124 0.413 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.559 9.233 -0.017 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -15.017 13.408 0.636 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.997 12.437 0.622 1.00 1.39 H new ATOM 976 N ASP A 64 -11.888 9.937 -3.409 1.00 0.47 N ATOM 977 CA ASP A 64 -12.793 10.195 -4.506 1.00 0.57 C ATOM 978 C ASP A 64 -14.036 9.381 -4.309 1.00 0.57 C ATOM 979 O ASP A 64 -14.001 8.162 -4.326 1.00 0.63 O ATOM 980 CB ASP A 64 -12.167 9.815 -5.815 1.00 0.71 C ATOM 981 CG ASP A 64 -12.727 10.568 -7.000 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.841 10.234 -7.451 1.00 2.42 O ATOM 983 OD2 ASP A 64 -12.033 11.482 -7.502 1.00 2.00 O ATOM 0 H ASP A 64 -11.535 8.980 -3.379 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.027 11.259 -4.525 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.093 9.992 -5.758 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.306 8.746 -5.977 1.00 0.71 H new ATOM 988 N ARG A 65 -15.104 10.062 -4.095 1.00 0.60 N ATOM 989 CA ARG A 65 -16.386 9.442 -3.827 1.00 0.64 C ATOM 990 C ARG A 65 -17.150 9.134 -5.102 1.00 0.74 C ATOM 991 O ARG A 65 -17.824 8.113 -5.199 1.00 0.88 O ATOM 992 CB ARG A 65 -17.226 10.334 -2.934 1.00 0.74 C ATOM 993 CG ARG A 65 -17.794 9.572 -1.771 1.00 0.86 C ATOM 994 CD ARG A 65 -18.699 8.442 -2.243 1.00 1.00 C ATOM 995 NE ARG A 65 -19.305 7.699 -1.137 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.570 7.262 -1.137 1.00 1.80 C ATOM 997 NH1 ARG A 65 -21.397 7.601 -2.117 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.021 6.523 -0.131 1.00 2.07 N ATOM 0 H ARG A 65 -15.130 11.082 -4.098 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.186 8.498 -3.321 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.617 11.160 -2.566 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -18.038 10.771 -3.515 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.982 9.164 -1.169 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.358 10.249 -1.129 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -19.488 8.854 -2.873 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.122 7.755 -2.862 1.00 1.00 H new ATOM 0 HE ARG A 65 -18.729 7.503 -0.318 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -21.070 8.198 -2.877 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -22.360 7.265 -2.111 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -20.403 6.287 0.645 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.986 6.192 -0.134 1.00 2.07 H new ATOM 1012 N ALA A 66 -17.040 10.016 -6.068 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.703 9.838 -7.351 1.00 0.93 C ATOM 1014 C ALA A 66 -17.200 8.575 -8.028 1.00 0.83 C ATOM 1015 O ALA A 66 -17.905 7.944 -8.812 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.475 11.048 -8.238 1.00 1.15 C ATOM 0 H ALA A 66 -16.493 10.874 -5.994 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.775 9.737 -7.181 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.978 10.898 -9.194 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.877 11.937 -7.752 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.406 11.179 -8.407 1.00 1.15 H new ATOM 1022 N SER A 67 -15.972 8.224 -7.711 1.00 0.72 N ATOM 1023 CA SER A 67 -15.382 6.990 -8.183 1.00 0.72 C ATOM 1024 C SER A 67 -15.354 5.964 -7.056 1.00 0.58 C ATOM 1025 O SER A 67 -15.140 4.774 -7.289 1.00 0.63 O ATOM 1026 CB SER A 67 -13.962 7.264 -8.682 1.00 0.83 C ATOM 1027 OG SER A 67 -13.921 8.442 -9.476 1.00 1.41 O ATOM 0 H SER A 67 -15.357 8.784 -7.121 1.00 0.72 H new ATOM 0 HA SER A 67 -15.980 6.592 -9.003 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.288 7.370 -7.832 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.607 6.415 -9.266 1.00 0.83 H new ATOM 0 HG SER A 67 -13.729 9.215 -8.905 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.624 6.450 -5.844 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.388 5.746 -4.620 1.00 0.50 C ATOM 1035 C LYS A 68 -14.099 4.969 -4.668 1.00 0.44 C ATOM 1036 O LYS A 68 -14.015 3.770 -4.519 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.611 5.005 -4.102 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.223 3.862 -4.928 1.00 0.66 C ATOM 1039 CD LYS A 68 -16.387 2.595 -4.921 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.212 1.325 -5.028 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.185 1.341 -6.151 1.00 3.31 N ATOM 0 H LYS A 68 -16.026 7.377 -5.702 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.225 6.483 -3.833 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -16.353 4.597 -3.125 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -17.395 5.745 -3.942 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -18.216 3.635 -4.540 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.352 4.197 -5.957 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -15.680 2.631 -5.750 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -15.800 2.561 -4.003 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.541 0.475 -5.152 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.751 1.172 -4.093 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.629 0.405 -6.239 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.918 2.055 -5.965 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -17.690 1.575 -7.036 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.078 5.724 -4.912 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.735 5.229 -4.855 1.00 0.31 C ATOM 1057 C VAL A 69 -10.945 6.046 -3.875 1.00 0.29 C ATOM 1058 O VAL A 69 -10.744 7.249 -4.048 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.992 5.277 -6.191 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.723 4.453 -6.107 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.869 4.804 -7.338 1.00 0.43 C ATOM 0 H VAL A 69 -13.150 6.711 -5.159 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.820 4.183 -4.560 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.728 6.315 -6.395 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.200 4.492 -7.062 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.080 4.855 -5.324 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.976 3.419 -5.874 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.306 4.853 -8.270 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.182 3.776 -7.156 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.748 5.444 -7.411 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.537 5.390 -2.842 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.562 5.929 -1.957 1.00 0.25 C ATOM 1073 C TYR A 70 -8.231 5.479 -2.453 1.00 0.22 C ATOM 1074 O TYR A 70 -7.864 4.309 -2.348 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.723 5.459 -0.534 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.936 5.992 0.183 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.205 5.548 -0.132 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.796 6.939 1.185 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.312 6.037 0.534 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.893 7.431 1.859 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.151 6.978 1.529 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.248 7.467 2.199 1.00 0.93 O ATOM 0 H TYR A 70 -10.872 4.461 -2.587 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.673 7.013 -1.945 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.768 4.370 -0.531 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.834 5.743 0.029 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.334 4.809 -0.909 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.810 7.298 1.442 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.300 5.684 0.276 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.767 8.166 2.640 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.585 8.263 1.737 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.538 6.391 -3.029 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.229 6.098 -3.524 1.00 0.19 C ATOM 1094 C LEU A 71 -5.251 6.286 -2.416 1.00 0.20 C ATOM 1095 O LEU A 71 -4.891 7.398 -2.045 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.785 6.955 -4.702 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.298 6.762 -5.037 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -4.044 5.379 -5.622 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.779 7.843 -5.964 1.00 0.52 C ATOM 0 H LEU A 71 -7.849 7.352 -3.173 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.266 5.071 -3.888 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.387 6.707 -5.576 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.971 8.005 -4.475 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.746 6.845 -4.101 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.984 5.269 -5.850 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.340 4.618 -4.900 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.626 5.258 -6.536 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.724 7.667 -6.174 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.343 7.824 -6.897 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.897 8.817 -5.489 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.817 5.198 -1.906 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.725 5.192 -1.013 1.00 0.21 C ATOM 1113 C PHE A 72 -2.483 5.101 -1.848 1.00 0.23 C ATOM 1114 O PHE A 72 -2.198 4.091 -2.488 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.826 4.020 -0.076 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.951 4.112 0.920 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.239 3.747 0.564 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.720 4.561 2.209 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.274 3.829 1.474 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.751 4.644 3.124 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.021 4.287 2.763 1.00 0.30 C ATOM 0 H PHE A 72 -5.213 4.278 -2.098 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.711 6.094 -0.401 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.952 3.111 -0.664 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.885 3.922 0.466 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.436 3.394 -0.438 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.722 4.850 2.503 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.274 3.539 1.187 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.554 4.992 4.127 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.827 4.361 3.478 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.770 6.166 -1.845 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.583 6.283 -2.647 1.00 0.26 C ATOM 1133 C GLU A 73 0.619 6.390 -1.772 1.00 0.20 C ATOM 1134 O GLU A 73 0.710 7.237 -0.881 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.628 7.464 -3.607 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.102 8.760 -2.962 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.385 9.986 -3.486 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.695 10.320 -2.959 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.899 10.614 -4.444 1.00 1.32 O ATOM 0 H GLU A 73 -1.984 6.993 -1.287 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.525 5.379 -3.254 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.367 7.619 -4.025 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.289 7.220 -4.439 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.173 8.873 -3.133 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.957 8.696 -1.884 1.00 0.59 H new ATOM 1146 N LEU A 74 1.524 5.514 -2.032 1.00 0.21 N ATOM 1147 CA LEU A 74 2.764 5.497 -1.352 1.00 0.21 C ATOM 1148 C LEU A 74 3.731 6.292 -2.127 1.00 0.20 C ATOM 1149 O LEU A 74 3.903 6.121 -3.336 1.00 0.25 O ATOM 1150 CB LEU A 74 3.362 4.111 -1.218 1.00 0.27 C ATOM 1151 CG LEU A 74 2.490 3.072 -0.555 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.350 2.108 0.215 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.428 3.711 0.334 1.00 0.96 C ATOM 0 H LEU A 74 1.420 4.780 -2.733 1.00 0.21 H new ATOM 0 HA LEU A 74 2.574 5.891 -0.354 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.625 3.753 -2.213 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.290 4.191 -0.652 1.00 0.27 H new ATOM 0 HG LEU A 74 1.955 2.522 -1.329 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.719 1.359 0.693 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.045 1.616 -0.466 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.911 2.649 0.977 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.821 2.931 0.793 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.912 4.300 1.113 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.791 4.359 -0.268 1.00 0.96 H new ATOM 1165 N HIS A 75 4.373 7.119 -1.419 1.00 0.18 N ATOM 1166 CA HIS A 75 5.540 7.744 -1.920 1.00 0.19 C ATOM 1167 C HIS A 75 6.613 7.336 -0.979 1.00 0.19 C ATOM 1168 O HIS A 75 6.746 7.885 0.105 1.00 0.19 O ATOM 1169 CB HIS A 75 5.380 9.262 -2.005 1.00 0.23 C ATOM 1170 CG HIS A 75 4.787 9.718 -3.307 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.440 9.960 -3.498 1.00 1.01 N ATOM 1172 CD2 HIS A 75 5.381 9.973 -4.497 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.238 10.342 -4.745 1.00 0.88 C ATOM 1174 NE2 HIS A 75 4.400 10.359 -5.371 1.00 0.94 N ATOM 0 H HIS A 75 4.114 7.391 -0.471 1.00 0.18 H new ATOM 0 HA HIS A 75 5.766 7.441 -2.942 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.747 9.601 -1.185 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.354 9.732 -1.871 1.00 0.23 H new ATOM 0 HD1 HIS A 75 2.716 9.859 -2.787 1.00 1.01 H new ATOM 0 HD2 HIS A 75 6.435 9.888 -4.716 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.283 10.598 -5.180 1.00 0.88 H new ATOM 1183 N ILE A 76 7.334 6.323 -1.371 1.00 0.21 N ATOM 1184 CA ILE A 76 8.340 5.780 -0.522 1.00 0.23 C ATOM 1185 C ILE A 76 9.649 5.810 -1.243 1.00 0.25 C ATOM 1186 O ILE A 76 9.960 4.977 -2.071 1.00 0.28 O ATOM 1187 CB ILE A 76 8.015 4.346 -0.107 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.629 4.253 0.551 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.091 3.786 0.825 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.379 2.909 1.195 1.00 0.52 C ATOM 0 H ILE A 76 7.239 5.861 -2.275 1.00 0.21 H new ATOM 0 HA ILE A 76 8.389 6.383 0.384 1.00 0.23 H new ATOM 0 HB ILE A 76 7.998 3.740 -1.013 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.536 5.035 1.304 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.861 4.440 -0.200 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.834 2.764 1.105 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.054 3.791 0.314 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.153 4.403 1.722 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.386 2.900 1.644 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.443 2.126 0.439 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.128 2.731 1.967 1.00 0.52 H new ATOM 1202 N THR A 77 10.409 6.779 -0.922 1.00 0.24 N ATOM 1203 CA THR A 77 11.649 6.973 -1.530 1.00 0.26 C ATOM 1204 C THR A 77 12.734 6.440 -0.674 1.00 0.36 C ATOM 1205 O THR A 77 12.563 6.128 0.512 1.00 0.58 O ATOM 1206 CB THR A 77 11.924 8.447 -1.836 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.690 9.253 -0.676 1.00 0.41 O ATOM 1208 CG2 THR A 77 11.048 8.911 -2.973 1.00 0.37 C ATOM 0 H THR A 77 10.176 7.473 -0.212 1.00 0.24 H new ATOM 0 HA THR A 77 11.622 6.433 -2.477 1.00 0.26 H new ATOM 0 HB THR A 77 12.969 8.552 -2.126 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.872 10.192 -0.888 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.251 9.961 -3.183 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.259 8.316 -3.861 1.00 0.37 H new ATOM 0 HG23 THR A 77 10.000 8.792 -2.697 1.00 0.37 H new ATOM 1216 N ASP A 78 13.827 6.364 -1.336 1.00 0.30 N ATOM 1217 CA ASP A 78 15.074 5.885 -0.822 1.00 0.45 C ATOM 1218 C ASP A 78 14.881 4.685 0.056 1.00 0.45 C ATOM 1219 O ASP A 78 14.940 4.744 1.286 1.00 0.70 O ATOM 1220 CB ASP A 78 15.780 6.935 -0.054 1.00 0.61 C ATOM 1221 CG ASP A 78 16.003 8.225 -0.816 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.029 8.328 -1.523 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.143 9.124 -0.743 1.00 2.12 O ATOM 0 H ASP A 78 13.889 6.650 -2.313 1.00 0.30 H new ATOM 0 HA ASP A 78 15.679 5.603 -1.684 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.209 7.154 0.848 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.746 6.545 0.267 1.00 0.61 H new ATOM 1228 N ALA A 79 14.610 3.620 -0.610 1.00 0.37 N ATOM 1229 CA ALA A 79 14.460 2.333 0.024 1.00 0.34 C ATOM 1230 C ALA A 79 15.780 1.937 0.631 1.00 0.38 C ATOM 1231 O ALA A 79 16.769 1.766 -0.078 1.00 0.40 O ATOM 1232 CB ALA A 79 14.010 1.288 -0.976 1.00 0.34 C ATOM 0 H ALA A 79 14.482 3.604 -1.622 1.00 0.37 H new ATOM 0 HA ALA A 79 13.698 2.401 0.801 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.904 0.326 -0.474 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.051 1.582 -1.403 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.751 1.203 -1.771 1.00 0.34 H new ATOM 1238 N GLN A 80 15.804 1.841 1.939 1.00 0.47 N ATOM 1239 CA GLN A 80 16.996 1.433 2.637 1.00 0.55 C ATOM 1240 C GLN A 80 17.283 -0.031 2.303 1.00 0.43 C ATOM 1241 O GLN A 80 16.390 -0.745 1.858 1.00 0.43 O ATOM 1242 CB GLN A 80 16.800 1.647 4.136 1.00 0.74 C ATOM 1243 CG GLN A 80 16.221 0.458 4.868 1.00 0.78 C ATOM 1244 CD GLN A 80 16.774 0.334 6.266 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.223 0.877 7.228 1.00 1.37 O ATOM 1246 NE2 GLN A 80 17.884 -0.376 6.383 1.00 1.43 N ATOM 0 H GLN A 80 15.006 2.041 2.542 1.00 0.47 H new ATOM 0 HA GLN A 80 17.854 2.029 2.326 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.761 1.900 4.583 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.144 2.504 4.285 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.136 0.553 4.914 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.438 -0.453 4.310 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.303 -0.806 5.559 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.321 -0.493 7.297 1.00 1.43 H new ATOM 1255 N PRO A 81 18.515 -0.516 2.482 1.00 0.42 N ATOM 1256 CA PRO A 81 18.841 -1.889 2.118 1.00 0.44 C ATOM 1257 C PRO A 81 18.246 -2.882 3.107 1.00 0.54 C ATOM 1258 O PRO A 81 17.960 -2.523 4.252 1.00 1.33 O ATOM 1259 CB PRO A 81 20.366 -1.912 2.166 1.00 0.50 C ATOM 1260 CG PRO A 81 20.726 -0.867 3.169 1.00 0.57 C ATOM 1261 CD PRO A 81 19.666 0.200 3.067 1.00 0.49 C ATOM 0 HA PRO A 81 18.439 -2.176 1.146 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.739 -2.892 2.463 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.797 -1.690 1.190 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.759 -1.288 4.174 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.714 -0.455 2.964 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.424 0.620 4.043 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.988 1.027 2.435 1.00 0.49 H new ATOM 1269 N ALA A 82 18.049 -4.119 2.647 1.00 0.81 N ATOM 1270 CA ALA A 82 17.379 -5.154 3.432 1.00 0.88 C ATOM 1271 C ALA A 82 15.926 -4.770 3.694 1.00 0.77 C ATOM 1272 O ALA A 82 15.259 -5.353 4.547 1.00 0.91 O ATOM 1273 CB ALA A 82 18.107 -5.410 4.745 1.00 1.12 C ATOM 0 H ALA A 82 18.349 -4.429 1.723 1.00 0.81 H new ATOM 0 HA ALA A 82 17.398 -6.077 2.853 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.584 -6.185 5.306 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.126 -5.737 4.538 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.133 -4.492 5.332 1.00 1.12 H new ATOM 1279 N PHE A 83 15.431 -3.790 2.939 1.00 0.64 N ATOM 1280 CA PHE A 83 14.053 -3.367 3.072 1.00 0.68 C ATOM 1281 C PHE A 83 13.171 -4.245 2.226 1.00 0.76 C ATOM 1282 O PHE A 83 11.952 -4.127 2.322 1.00 1.24 O ATOM 1283 CB PHE A 83 13.885 -1.916 2.621 1.00 0.74 C ATOM 1284 CG PHE A 83 13.375 -0.942 3.657 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.317 -1.248 5.017 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.961 0.315 3.247 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.858 -0.314 5.928 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.503 1.245 4.153 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.453 0.931 5.495 1.00 0.88 C ATOM 0 H PHE A 83 15.966 -3.282 2.235 1.00 0.64 H new ATOM 0 HA PHE A 83 13.770 -3.448 4.121 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.849 -1.557 2.261 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.202 -1.900 1.772 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.633 -2.222 5.361 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.998 0.570 2.198 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.817 -0.560 6.979 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.183 2.219 3.813 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.096 1.661 6.207 1.00 0.88 H new ATOM 1299 N THR A 84 13.828 -5.101 1.403 1.00 0.55 N ATOM 1300 CA THR A 84 13.208 -6.009 0.459 1.00 0.58 C ATOM 1301 C THR A 84 11.726 -6.102 0.661 1.00 0.80 C ATOM 1302 O THR A 84 11.199 -6.958 1.373 1.00 1.22 O ATOM 1303 CB THR A 84 13.851 -7.384 0.512 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.277 -7.244 0.411 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.334 -8.263 -0.621 1.00 1.17 C ATOM 0 H THR A 84 14.846 -5.165 1.394 1.00 0.55 H new ATOM 0 HA THR A 84 13.375 -5.596 -0.536 1.00 0.58 H new ATOM 0 HB THR A 84 13.594 -7.859 1.459 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.696 -8.129 0.447 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.807 -9.244 -0.565 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.254 -8.375 -0.530 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.572 -7.799 -1.579 1.00 1.17 H new ATOM 1313 N GLY A 85 11.112 -5.143 0.030 1.00 0.87 N ATOM 1314 CA GLY A 85 9.763 -4.798 0.225 1.00 1.43 C ATOM 1315 C GLY A 85 8.860 -5.953 0.233 1.00 0.96 C ATOM 1316 O GLY A 85 8.802 -6.741 -0.690 1.00 1.29 O ATOM 0 H GLY A 85 11.577 -4.560 -0.667 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.666 -4.264 1.170 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.454 -4.111 -0.563 1.00 1.43 H new ATOM 1320 N GLY A 86 8.253 -6.087 1.336 1.00 0.52 N ATOM 1321 CA GLY A 86 7.057 -6.824 1.406 1.00 0.52 C ATOM 1322 C GLY A 86 5.947 -5.902 1.810 1.00 0.40 C ATOM 1323 O GLY A 86 5.406 -5.995 2.899 1.00 0.43 O ATOM 0 H GLY A 86 8.567 -5.690 2.222 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.837 -7.280 0.441 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.155 -7.636 2.127 1.00 0.52 H new ATOM 1327 N TYR A 87 5.691 -4.943 0.958 1.00 0.34 N ATOM 1328 CA TYR A 87 4.591 -4.027 1.151 1.00 0.28 C ATOM 1329 C TYR A 87 3.308 -4.796 0.861 1.00 0.30 C ATOM 1330 O TYR A 87 3.025 -5.123 -0.290 1.00 0.39 O ATOM 1331 CB TYR A 87 4.738 -2.833 0.203 1.00 0.35 C ATOM 1332 CG TYR A 87 6.010 -2.049 0.411 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.205 -2.475 -0.150 1.00 0.42 C ATOM 1334 CD2 TYR A 87 6.017 -0.881 1.162 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.372 -1.760 0.033 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.181 -0.160 1.350 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.354 -0.607 0.806 1.00 0.54 C ATOM 1338 OH TYR A 87 9.520 0.111 0.954 1.00 0.63 O ATOM 0 H TYR A 87 6.236 -4.773 0.113 1.00 0.34 H new ATOM 0 HA TYR A 87 4.574 -3.639 2.169 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.706 -3.191 -0.826 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.885 -2.167 0.336 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.223 -3.380 -0.739 1.00 0.42 H new ATOM 0 HD2 TYR A 87 5.097 -0.530 1.607 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.292 -2.095 -0.422 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.165 0.754 1.925 1.00 0.54 H new ATOM 0 HH TYR A 87 9.593 0.430 1.878 1.00 0.63 H new ATOM 1348 N ARG A 88 2.549 -5.130 1.886 1.00 0.33 N ATOM 1349 CA ARG A 88 1.418 -6.009 1.698 1.00 0.36 C ATOM 1350 C ARG A 88 0.140 -5.292 2.068 1.00 0.36 C ATOM 1351 O ARG A 88 -0.147 -5.067 3.242 1.00 0.60 O ATOM 1352 CB ARG A 88 1.593 -7.287 2.524 1.00 0.42 C ATOM 1353 CG ARG A 88 2.951 -7.944 2.329 1.00 1.09 C ATOM 1354 CD ARG A 88 3.090 -9.228 3.132 1.00 1.23 C ATOM 1355 NE ARG A 88 4.480 -9.682 3.174 1.00 1.73 N ATOM 1356 CZ ARG A 88 4.949 -10.748 2.516 1.00 2.17 C ATOM 1357 NH1 ARG A 88 4.144 -11.474 1.744 1.00 2.11 N ATOM 1358 NH2 ARG A 88 6.232 -11.077 2.620 1.00 3.15 N ATOM 0 H ARG A 88 2.694 -4.810 2.844 1.00 0.33 H new ATOM 0 HA ARG A 88 1.359 -6.294 0.648 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.459 -7.051 3.580 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.811 -7.997 2.254 1.00 0.42 H new ATOM 0 HG2 ARG A 88 3.099 -8.162 1.271 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.735 -7.247 2.624 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.728 -9.065 4.147 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.465 -10.004 2.691 1.00 1.23 H new ATOM 0 HE ARG A 88 5.137 -9.149 3.744 1.00 1.73 H new ATOM 0 HH11 ARG A 88 3.161 -11.219 1.650 1.00 2.11 H new ATOM 0 HH12 ARG A 88 4.510 -12.285 1.246 1.00 2.11 H new ATOM 0 HH21 ARG A 88 6.857 -10.517 3.200 1.00 3.15 H new ATOM 0 HH22 ARG A 88 6.592 -11.889 2.119 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.617 -4.910 1.060 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.827 -4.163 1.287 1.00 0.27 C ATOM 1374 C CYS A 89 -2.985 -5.116 1.473 1.00 0.25 C ATOM 1375 O CYS A 89 -3.238 -5.988 0.640 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.100 -3.207 0.137 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.864 -1.653 0.643 1.00 1.08 S ATOM 0 H CYS A 89 -0.413 -5.106 0.080 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.706 -3.568 2.192 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.161 -2.990 -0.373 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.749 -3.701 -0.587 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.942 -0.753 0.817 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.651 -4.958 2.587 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.778 -5.795 2.929 1.00 0.28 C ATOM 1385 C GLU A 90 -5.956 -4.916 3.314 1.00 0.26 C ATOM 1386 O GLU A 90 -5.928 -4.227 4.335 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.412 -6.735 4.082 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.546 -7.634 4.549 1.00 1.19 C ATOM 1389 CD GLU A 90 -5.170 -8.432 5.781 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -5.333 -7.912 6.906 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -4.688 -9.575 5.633 1.00 1.43 O ATOM 0 H GLU A 90 -3.430 -4.247 3.284 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.051 -6.404 2.067 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.574 -7.360 3.772 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.069 -6.137 4.926 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.424 -7.026 4.766 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.821 -8.317 3.745 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.971 -4.904 2.479 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.155 -4.131 2.777 1.00 0.22 C ATOM 1400 C VAL A 91 -9.241 -5.032 3.333 1.00 0.22 C ATOM 1401 O VAL A 91 -9.434 -6.161 2.879 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.671 -3.331 1.562 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.830 -4.216 0.340 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -9.975 -2.617 1.899 1.00 0.51 C ATOM 0 H VAL A 91 -7.001 -5.415 1.597 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.877 -3.396 3.532 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.924 -2.575 1.320 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.195 -3.620 -0.496 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.866 -4.654 0.080 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.543 -5.011 0.557 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.320 -2.060 1.028 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.729 -3.351 2.182 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.809 -1.929 2.728 1.00 0.51 H new ATOM 1414 N SER A 92 -9.932 -4.515 4.324 1.00 0.22 N ATOM 1415 CA SER A 92 -10.923 -5.267 5.054 1.00 0.25 C ATOM 1416 C SER A 92 -12.132 -4.383 5.263 1.00 0.26 C ATOM 1417 O SER A 92 -12.083 -3.396 5.991 1.00 0.30 O ATOM 1418 CB SER A 92 -10.358 -5.730 6.401 1.00 0.32 C ATOM 1419 OG SER A 92 -9.143 -6.443 6.229 1.00 1.18 O ATOM 0 H SER A 92 -9.820 -3.554 4.647 1.00 0.22 H new ATOM 0 HA SER A 92 -11.206 -6.155 4.489 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.188 -4.866 7.044 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.087 -6.364 6.906 1.00 0.32 H new ATOM 0 HG SER A 92 -8.803 -6.726 7.104 1.00 1.18 H new ATOM 1425 N THR A 93 -13.198 -4.716 4.582 1.00 0.28 N ATOM 1426 CA THR A 93 -14.397 -3.924 4.615 1.00 0.35 C ATOM 1427 C THR A 93 -15.569 -4.824 4.905 1.00 0.39 C ATOM 1428 O THR A 93 -15.397 -6.039 4.878 1.00 0.59 O ATOM 1429 CB THR A 93 -14.579 -3.239 3.270 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.294 -2.937 2.723 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.356 -1.958 3.420 1.00 0.57 C ATOM 0 H THR A 93 -13.258 -5.544 3.989 1.00 0.28 H new ATOM 0 HA THR A 93 -14.328 -3.164 5.393 1.00 0.35 H new ATOM 0 HB THR A 93 -15.130 -3.909 2.611 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.710 -2.593 3.431 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.473 -1.487 2.444 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.339 -2.175 3.838 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.820 -1.283 4.087 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.714 -4.203 5.226 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.021 -4.868 5.387 1.00 0.43 C ATOM 1441 C LYS A 94 -17.956 -6.398 5.315 1.00 0.42 C ATOM 1442 O LYS A 94 -18.150 -7.089 6.311 1.00 0.53 O ATOM 1443 CB LYS A 94 -18.999 -4.310 4.337 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.366 -4.034 2.966 1.00 0.47 C ATOM 1445 CD LYS A 94 -19.177 -4.620 1.814 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.546 -6.082 2.032 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.530 -6.577 1.044 1.00 0.65 N ATOM 0 H LYS A 94 -16.760 -3.197 5.386 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.373 -4.646 6.394 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.819 -5.017 4.210 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.432 -3.385 4.717 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -18.269 -2.957 2.826 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.359 -4.451 2.945 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -20.088 -4.036 1.684 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -18.605 -4.529 0.890 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.644 -6.692 1.977 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.953 -6.204 3.036 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.783 -7.560 1.269 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -21.383 -5.983 1.076 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.116 -6.536 0.091 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.671 -6.904 4.127 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.508 -8.310 3.886 1.00 0.40 C ATOM 1463 C ASP A 95 -16.606 -8.507 2.681 1.00 0.37 C ATOM 1464 O ASP A 95 -16.348 -9.631 2.268 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.859 -8.938 3.616 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.890 -10.431 3.875 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.792 -10.832 5.050 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.015 -11.208 2.906 1.00 1.05 O ATOM 0 H ASP A 95 -17.546 -6.330 3.293 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.061 -8.783 4.760 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.609 -8.452 4.241 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.138 -8.750 2.579 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.116 -7.398 2.116 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.274 -7.489 0.956 1.00 0.29 C ATOM 1475 C LYS A 96 -13.853 -7.557 1.398 1.00 0.27 C ATOM 1476 O LYS A 96 -13.413 -6.842 2.304 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.431 -6.365 -0.082 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.176 -6.819 -1.309 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.411 -6.516 -2.574 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.141 -7.323 -2.650 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.504 -7.178 -3.965 1.00 1.29 N ATOM 0 H LYS A 96 -16.293 -6.450 2.448 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.595 -8.393 0.438 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.959 -5.526 0.371 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.445 -6.001 -0.372 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.362 -7.891 -1.245 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -17.148 -6.328 -1.346 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -16.035 -6.734 -3.441 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -15.172 -5.453 -2.612 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.452 -6.998 -1.870 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.362 -8.374 -2.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -13.510 -8.095 -4.456 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.028 -6.479 -4.530 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -12.522 -6.857 -3.842 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.177 -8.442 0.758 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.823 -8.778 1.108 1.00 0.29 C ATOM 1497 C PHE A 97 -10.925 -8.810 -0.109 1.00 0.32 C ATOM 1498 O PHE A 97 -11.268 -9.391 -1.138 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.819 -10.125 1.797 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.593 -10.387 2.613 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.334 -9.651 3.755 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.698 -11.372 2.231 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.202 -9.893 4.501 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.565 -11.620 2.975 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.331 -10.860 4.138 1.00 0.74 C ATOM 0 H PHE A 97 -13.544 -8.967 -0.036 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.433 -8.012 1.778 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.694 -10.194 2.443 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.916 -10.907 1.044 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.025 -8.881 4.064 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.890 -11.952 1.340 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -9.009 -9.304 5.385 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.867 -12.386 2.671 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.455 -11.051 4.740 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.773 -8.190 0.038 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.746 -8.181 -1.003 1.00 0.43 C ATOM 1517 C ASP A 98 -7.381 -7.914 -0.399 1.00 0.36 C ATOM 1518 O ASP A 98 -7.261 -7.193 0.593 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.014 -7.128 -2.082 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.911 -7.615 -3.206 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.567 -8.629 -3.852 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -10.976 -7.003 -3.435 1.00 1.60 O ATOM 0 H ASP A 98 -9.514 -7.676 0.880 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.772 -9.166 -1.469 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.471 -6.254 -1.618 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.063 -6.804 -2.504 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.360 -8.490 -1.007 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.991 -8.313 -0.553 1.00 0.30 C ATOM 1529 C CYS A 99 -4.049 -8.294 -1.748 1.00 0.32 C ATOM 1530 O CYS A 99 -4.316 -8.928 -2.771 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.576 -9.441 0.393 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.855 -9.948 1.569 1.00 1.19 S ATOM 0 H CYS A 99 -6.454 -9.091 -1.826 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.933 -7.366 -0.017 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.284 -10.307 -0.201 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.694 -9.124 0.950 1.00 0.34 H new ATOM 0 HG CYS A 99 -5.400 -10.908 2.319 1.00 1.19 H new ATOM 1538 N SER A 100 -2.959 -7.563 -1.625 1.00 0.27 N ATOM 1539 CA SER A 100 -1.948 -7.526 -2.668 1.00 0.30 C ATOM 1540 C SER A 100 -0.559 -7.492 -2.057 1.00 0.31 C ATOM 1541 O SER A 100 -0.313 -6.781 -1.083 1.00 0.42 O ATOM 1542 CB SER A 100 -2.167 -6.314 -3.582 1.00 0.38 C ATOM 1543 OG SER A 100 -2.090 -5.099 -2.859 1.00 0.84 O ATOM 0 H SER A 100 -2.749 -6.984 -0.812 1.00 0.27 H new ATOM 0 HA SER A 100 -2.036 -8.430 -3.270 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.419 -6.315 -4.375 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.142 -6.391 -4.063 1.00 0.38 H new ATOM 0 HG SER A 100 -1.188 -4.725 -2.942 1.00 0.84 H new ATOM 1549 N ASN A 101 0.335 -8.287 -2.617 1.00 0.34 N ATOM 1550 CA ASN A 101 1.727 -8.288 -2.196 1.00 0.37 C ATOM 1551 C ASN A 101 2.581 -7.625 -3.270 1.00 0.42 C ATOM 1552 O ASN A 101 2.435 -7.910 -4.461 1.00 0.65 O ATOM 1553 CB ASN A 101 2.202 -9.718 -1.868 1.00 0.60 C ATOM 1554 CG ASN A 101 2.364 -10.662 -3.054 1.00 0.97 C ATOM 1555 OD1 ASN A 101 3.145 -11.609 -2.983 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.659 -10.422 -4.148 1.00 1.05 N ATOM 0 H ASN A 101 0.122 -8.944 -3.368 1.00 0.34 H new ATOM 0 HA ASN A 101 1.831 -7.710 -1.278 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.159 -9.651 -1.350 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.493 -10.163 -1.170 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.756 -11.030 -4.961 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.019 -9.629 -4.178 1.00 1.05 H new ATOM 1563 N PHE A 102 3.412 -6.684 -2.859 1.00 0.31 N ATOM 1564 CA PHE A 102 4.239 -5.952 -3.790 1.00 0.38 C ATOM 1565 C PHE A 102 5.606 -5.725 -3.181 1.00 0.30 C ATOM 1566 O PHE A 102 5.761 -5.013 -2.187 1.00 0.37 O ATOM 1567 CB PHE A 102 3.562 -4.642 -4.230 1.00 0.57 C ATOM 1568 CG PHE A 102 2.612 -4.025 -3.229 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.406 -4.627 -2.941 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.942 -2.858 -2.561 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.540 -4.073 -2.020 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.082 -2.302 -1.644 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.858 -2.878 -1.410 1.00 0.86 C ATOM 0 H PHE A 102 3.529 -6.411 -1.883 1.00 0.31 H new ATOM 0 HA PHE A 102 4.369 -6.542 -4.697 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.339 -3.914 -4.462 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.015 -4.830 -5.154 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.135 -5.544 -3.443 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.888 -2.378 -2.763 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.385 -4.575 -1.778 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.370 -1.410 -1.107 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.149 -2.398 -0.752 1.00 0.86 H new ATOM 1583 N ASN A 103 6.588 -6.367 -3.777 1.00 0.24 N ATOM 1584 CA ASN A 103 7.888 -6.487 -3.207 1.00 0.25 C ATOM 1585 C ASN A 103 8.814 -5.422 -3.726 1.00 0.28 C ATOM 1586 O ASN A 103 8.742 -4.987 -4.868 1.00 0.49 O ATOM 1587 CB ASN A 103 8.475 -7.847 -3.555 1.00 0.33 C ATOM 1588 CG ASN A 103 7.596 -9.012 -3.153 1.00 1.08 C ATOM 1589 OD1 ASN A 103 6.899 -8.972 -2.142 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.625 -10.060 -3.953 1.00 1.25 N ATOM 0 H ASN A 103 6.491 -6.823 -4.684 1.00 0.24 H new ATOM 0 HA ASN A 103 7.789 -6.375 -2.127 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.653 -7.892 -4.629 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.444 -7.950 -3.067 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.054 -10.879 -3.742 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.218 -10.052 -4.783 1.00 1.25 H new ATOM 1597 N LEU A 104 9.714 -5.052 -2.882 1.00 0.23 N ATOM 1598 CA LEU A 104 10.732 -4.074 -3.239 1.00 0.24 C ATOM 1599 C LEU A 104 12.123 -4.676 -3.123 1.00 0.25 C ATOM 1600 O LEU A 104 12.616 -4.913 -2.035 1.00 0.37 O ATOM 1601 CB LEU A 104 10.623 -2.810 -2.373 1.00 0.27 C ATOM 1602 CG LEU A 104 11.919 -2.087 -2.127 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.918 -0.786 -2.907 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.179 -1.855 -0.636 1.00 0.30 C ATOM 0 H LEU A 104 9.782 -5.404 -1.927 1.00 0.23 H new ATOM 0 HA LEU A 104 10.562 -3.787 -4.277 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.926 -2.121 -2.851 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.191 -3.085 -1.411 1.00 0.27 H new ATOM 0 HG LEU A 104 12.739 -2.713 -2.478 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.855 -0.257 -2.733 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.814 -1.000 -3.971 1.00 0.28 H new ATOM 0 HD13 LEU A 104 11.084 -0.165 -2.578 1.00 0.28 H new ATOM 0 HD21 LEU A 104 13.126 -1.330 -0.509 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.372 -1.255 -0.215 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.224 -2.815 -0.121 1.00 0.30 H new ATOM 1616 N THR A 105 12.765 -4.914 -4.238 1.00 0.23 N ATOM 1617 CA THR A 105 14.099 -5.466 -4.211 1.00 0.24 C ATOM 1618 C THR A 105 15.095 -4.327 -4.208 1.00 0.21 C ATOM 1619 O THR A 105 15.409 -3.756 -5.250 1.00 0.22 O ATOM 1620 CB THR A 105 14.378 -6.384 -5.410 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.268 -7.270 -5.619 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.642 -7.195 -5.181 1.00 0.32 C ATOM 0 H THR A 105 12.391 -4.737 -5.170 1.00 0.23 H new ATOM 0 HA THR A 105 14.194 -6.073 -3.310 1.00 0.24 H new ATOM 0 HB THR A 105 14.516 -5.762 -6.294 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.453 -7.851 -6.386 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.822 -7.839 -6.042 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.488 -6.521 -5.049 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.524 -7.808 -4.288 1.00 0.32 H new ATOM 1630 N VAL A 106 15.558 -3.981 -3.024 1.00 0.23 N ATOM 1631 CA VAL A 106 16.455 -2.885 -2.861 1.00 0.23 C ATOM 1632 C VAL A 106 17.879 -3.356 -3.054 1.00 0.25 C ATOM 1633 O VAL A 106 18.386 -4.255 -2.384 1.00 0.28 O ATOM 1634 CB VAL A 106 16.285 -2.157 -1.508 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.515 -3.081 -0.333 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.185 -0.932 -1.451 1.00 0.33 C ATOM 0 H VAL A 106 15.316 -4.459 -2.156 1.00 0.23 H new ATOM 0 HA VAL A 106 16.210 -2.149 -3.626 1.00 0.23 H new ATOM 0 HB VAL A 106 15.250 -1.822 -1.434 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.385 -2.527 0.597 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.798 -3.901 -0.370 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.528 -3.482 -0.378 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.055 -0.429 -0.493 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.225 -1.239 -1.561 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.921 -0.249 -2.258 1.00 0.33 H new ATOM 1646 N HIS A 107 18.470 -2.735 -4.017 1.00 0.26 N ATOM 1647 CA HIS A 107 19.810 -3.024 -4.455 1.00 0.31 C ATOM 1648 C HIS A 107 20.762 -2.078 -3.775 1.00 0.34 C ATOM 1649 O HIS A 107 20.871 -0.907 -4.124 1.00 0.36 O ATOM 1650 CB HIS A 107 19.926 -2.902 -5.980 1.00 0.36 C ATOM 1651 CG HIS A 107 19.080 -3.889 -6.727 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.480 -5.183 -6.972 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.831 -3.782 -7.248 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.519 -5.828 -7.603 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.510 -5.006 -7.784 1.00 0.53 N ATOM 0 H HIS A 107 18.025 -1.984 -4.545 1.00 0.26 H new ATOM 0 HA HIS A 107 20.061 -4.050 -4.187 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.641 -1.893 -6.278 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.968 -3.037 -6.269 1.00 0.36 H new ATOM 0 HD1 HIS A 107 20.381 -5.581 -6.706 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.207 -2.901 -7.242 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.555 -6.860 -7.919 1.00 1.10 H new ATOM 1664 N GLU A 108 21.397 -2.594 -2.764 1.00 0.45 N ATOM 1665 CA GLU A 108 22.397 -1.854 -2.017 1.00 0.56 C ATOM 1666 C GLU A 108 23.595 -1.526 -2.898 1.00 0.71 C ATOM 1667 O GLU A 108 23.975 -0.363 -3.029 1.00 1.33 O ATOM 1668 CB GLU A 108 22.845 -2.640 -0.787 1.00 0.71 C ATOM 1669 CG GLU A 108 23.539 -1.767 0.241 1.00 0.87 C ATOM 1670 CD GLU A 108 24.011 -2.534 1.452 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.409 -3.576 1.781 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.980 -2.086 2.093 1.00 1.67 O ATOM 0 H GLU A 108 21.242 -3.544 -2.425 1.00 0.45 H new ATOM 0 HA GLU A 108 21.945 -0.919 -1.685 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.978 -3.116 -0.329 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.520 -3.438 -1.096 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.393 -1.277 -0.226 1.00 0.87 H new ATOM 0 HG3 GLU A 108 22.855 -0.981 0.561 1.00 0.87 H new