USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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+ -167:sc= 0.603 (180deg=-0.867) USER MOD Set 1.2: A 87 TYR OH : rot 110:sc= 0.43 USER MOD Single : A 1 ASP N :NH3+ 144:sc= 2.15 (180deg=1.12) USER MOD Single : A 9 MET CE :methyl -172:sc= 0 (180deg=-0.0727) USER MOD Single : A 12 GLN : amide:sc= -1.32! X(o=-1.3!,f=-0.87) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 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 35:sc= 0.016 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0264 (180deg=-0.297) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -0.0191 (180deg=-0.197) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.025) USER MOD Single : A 56 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.64) USER MOD Single : A 58 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 60 HIS : no HE2:sc= 0.831 K(o=0.83,f=-7.2!) USER MOD Single : A 62 SER OG : rot 73:sc= 0.255 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 117:sc= 1.31 USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -0.32 (180deg=-1.04) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 102:sc= 0.278 USER MOD Single : A 80 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 89 CYS SG : rot 95:sc= 1.7 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -32:sc= -3.8 USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -2.86! (180deg=-3.58!) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.597) USER MOD Single : A 99 CYS SG : rot 180:sc= -3.46! USER MOD Single : A 100 SER OG : rot 27:sc= -0.602 USER MOD Single : A 101 ASN : amide:sc= -3.69! K(o=-3.7!,f=-0.38) USER MOD Single : A 103 ASN : amide:sc= 0.995 K(o=1,f=-0.051) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.688 K(o=0.69,f=-3.7!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.338 -11.656 0.449 1.00 0.92 N ATOM 2 CA ASP A 1 -16.956 -10.550 -0.473 1.00 0.81 C ATOM 3 C ASP A 1 -18.068 -10.284 -1.459 1.00 0.80 C ATOM 4 O ASP A 1 -18.442 -11.150 -2.245 1.00 0.99 O ATOM 5 CB ASP A 1 -15.694 -10.908 -1.252 1.00 0.90 C ATOM 6 CG ASP A 1 -14.578 -11.405 -0.367 1.00 1.34 C ATOM 7 OD1 ASP A 1 -14.767 -12.439 0.293 1.00 1.68 O ATOM 8 OD2 ASP A 1 -13.505 -10.767 -0.334 1.00 1.93 O ATOM 0 H1 ASP A 1 -16.499 -12.228 0.671 1.00 0.92 H new ATOM 0 H2 ASP A 1 -17.727 -11.257 1.327 1.00 0.92 H new ATOM 0 H3 ASP A 1 -18.055 -12.256 -0.007 1.00 0.92 H new ATOM 0 HA ASP A 1 -16.772 -9.662 0.131 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -15.934 -11.673 -1.990 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -15.352 -10.031 -1.802 1.00 0.90 H new ATOM 13 N ASP A 2 -18.599 -9.087 -1.395 1.00 0.70 N ATOM 14 CA ASP A 2 -19.593 -8.626 -2.319 1.00 0.72 C ATOM 15 C ASP A 2 -18.937 -7.941 -3.511 1.00 0.70 C ATOM 16 O ASP A 2 -17.739 -7.644 -3.467 1.00 0.75 O ATOM 17 CB ASP A 2 -20.443 -7.640 -1.571 1.00 0.79 C ATOM 18 CG ASP A 2 -21.419 -8.303 -0.622 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.526 -8.659 -1.054 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.072 -8.447 0.567 1.00 1.65 O ATOM 0 H ASP A 2 -18.345 -8.399 -0.686 1.00 0.70 H new ATOM 0 HA ASP A 2 -20.185 -9.458 -2.701 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -19.798 -6.966 -1.008 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.996 -7.030 -2.285 1.00 0.79 H new ATOM 25 N PRO A 3 -19.707 -7.656 -4.578 1.00 0.71 N ATOM 26 CA PRO A 3 -19.208 -6.956 -5.774 1.00 0.72 C ATOM 27 C PRO A 3 -18.907 -5.474 -5.529 1.00 0.66 C ATOM 28 O PRO A 3 -19.215 -4.615 -6.356 1.00 0.97 O ATOM 29 CB PRO A 3 -20.348 -7.105 -6.794 1.00 0.84 C ATOM 30 CG PRO A 3 -21.262 -8.137 -6.225 1.00 0.94 C ATOM 31 CD PRO A 3 -21.117 -8.035 -4.737 1.00 0.81 C ATOM 0 HA PRO A 3 -18.260 -7.380 -6.105 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.868 -6.159 -6.941 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -19.966 -7.413 -7.767 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.293 -7.958 -6.531 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -20.994 -9.133 -6.577 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -21.788 -7.287 -4.315 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.341 -8.980 -4.242 1.00 0.81 H new ATOM 39 N ILE A 4 -18.293 -5.193 -4.392 1.00 0.45 N ATOM 40 CA ILE A 4 -17.784 -3.867 -4.078 1.00 0.41 C ATOM 41 C ILE A 4 -16.783 -3.428 -5.131 1.00 0.41 C ATOM 42 O ILE A 4 -16.870 -2.327 -5.684 1.00 0.50 O ATOM 43 CB ILE A 4 -17.107 -3.883 -2.688 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.128 -3.587 -1.601 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.945 -2.904 -2.591 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.150 -4.673 -1.443 1.00 0.46 C ATOM 0 H ILE A 4 -18.132 -5.881 -3.657 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.616 -3.163 -4.066 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.699 -4.884 -2.546 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.609 -3.443 -0.653 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.635 -2.650 -1.832 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.507 -2.957 -1.594 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.190 -3.161 -3.334 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.305 -1.892 -2.776 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.850 -4.402 -0.652 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.693 -4.801 -2.380 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.652 -5.607 -1.182 1.00 0.46 H new ATOM 58 N GLY A 5 -15.827 -4.300 -5.378 1.00 0.36 N ATOM 59 CA GLY A 5 -14.788 -3.998 -6.335 1.00 0.39 C ATOM 60 C GLY A 5 -13.696 -3.259 -5.635 1.00 0.33 C ATOM 61 O GLY A 5 -13.124 -2.301 -6.149 1.00 0.33 O ATOM 0 H GLY A 5 -15.750 -5.215 -4.933 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.401 -4.917 -6.776 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.189 -3.397 -7.151 1.00 0.39 H new ATOM 65 N LEU A 6 -13.449 -3.741 -4.435 1.00 0.32 N ATOM 66 CA LEU A 6 -12.566 -3.124 -3.479 1.00 0.29 C ATOM 67 C LEU A 6 -11.211 -2.872 -4.104 1.00 0.29 C ATOM 68 O LEU A 6 -10.685 -1.765 -4.040 1.00 0.33 O ATOM 69 CB LEU A 6 -12.457 -4.065 -2.277 1.00 0.29 C ATOM 70 CG LEU A 6 -12.187 -3.425 -0.927 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.078 -2.225 -0.688 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.389 -4.448 0.164 1.00 0.28 C ATOM 0 H LEU A 6 -13.874 -4.602 -4.091 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.956 -2.158 -3.158 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.385 -4.632 -2.204 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.661 -4.782 -2.478 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.155 -3.074 -0.917 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -12.855 -1.795 0.288 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -12.900 -1.479 -1.463 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.122 -2.536 -0.717 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.195 -3.989 1.134 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.415 -4.814 0.134 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.702 -5.281 0.013 1.00 0.28 H new ATOM 84 N PHE A 7 -10.662 -3.902 -4.725 1.00 0.30 N ATOM 85 CA PHE A 7 -9.375 -3.799 -5.369 1.00 0.32 C ATOM 86 C PHE A 7 -9.534 -3.235 -6.770 1.00 0.29 C ATOM 87 O PHE A 7 -9.660 -3.968 -7.752 1.00 0.32 O ATOM 88 CB PHE A 7 -8.698 -5.164 -5.403 1.00 0.41 C ATOM 89 CG PHE A 7 -7.401 -5.217 -4.643 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.308 -4.702 -3.355 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.273 -5.788 -5.209 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.123 -4.753 -2.658 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.085 -5.840 -4.510 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.011 -5.322 -3.237 1.00 0.61 C ATOM 0 H PHE A 7 -11.095 -4.823 -4.794 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.743 -3.118 -4.799 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.380 -5.908 -4.992 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.512 -5.441 -6.441 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.178 -4.256 -2.895 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.324 -6.197 -6.207 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.065 -4.348 -1.659 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.212 -6.288 -4.962 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.080 -5.362 -2.692 1.00 0.61 H new ATOM 104 N VAL A 8 -9.578 -1.920 -6.826 1.00 0.28 N ATOM 105 CA VAL A 8 -9.670 -1.198 -8.085 1.00 0.34 C ATOM 106 C VAL A 8 -8.331 -1.264 -8.805 1.00 0.44 C ATOM 107 O VAL A 8 -8.265 -1.476 -10.014 1.00 0.63 O ATOM 108 CB VAL A 8 -10.063 0.273 -7.847 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.368 0.968 -9.165 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.251 0.358 -6.896 1.00 0.33 C ATOM 0 H VAL A 8 -9.551 -1.319 -6.002 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.442 -1.663 -8.698 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.220 0.787 -7.385 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.643 2.005 -8.974 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.486 0.938 -9.805 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.194 0.459 -9.662 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.516 1.403 -6.738 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.101 -0.171 -7.327 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -10.986 -0.097 -5.942 1.00 0.33 H new ATOM 120 N MET A 9 -7.270 -1.080 -8.039 1.00 0.43 N ATOM 121 CA MET A 9 -5.912 -1.264 -8.528 1.00 0.65 C ATOM 122 C MET A 9 -5.026 -1.657 -7.365 1.00 0.44 C ATOM 123 O MET A 9 -5.118 -1.066 -6.288 1.00 0.44 O ATOM 124 CB MET A 9 -5.361 0.005 -9.174 1.00 1.05 C ATOM 125 CG MET A 9 -3.951 -0.154 -9.723 1.00 1.45 C ATOM 126 SD MET A 9 -3.219 1.410 -10.250 1.00 2.35 S ATOM 127 CE MET A 9 -4.226 1.811 -11.675 1.00 2.88 C ATOM 0 H MET A 9 -7.324 -0.799 -7.060 1.00 0.43 H new ATOM 0 HA MET A 9 -5.926 -2.044 -9.289 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.025 0.308 -9.983 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.367 0.809 -8.438 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.318 -0.606 -8.959 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.971 -0.842 -10.568 1.00 1.45 H new ATOM 0 HE1 MET A 9 -3.803 2.675 -12.188 1.00 2.88 H new ATOM 0 HE2 MET A 9 -4.249 0.960 -12.355 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.240 2.043 -11.350 1.00 2.88 H new ATOM 137 N ARG A 10 -4.177 -2.637 -7.576 1.00 0.47 N ATOM 138 CA ARG A 10 -3.309 -3.105 -6.526 1.00 0.41 C ATOM 139 C ARG A 10 -1.996 -2.346 -6.566 1.00 0.39 C ATOM 140 O ARG A 10 -1.473 -2.038 -7.641 1.00 0.45 O ATOM 141 CB ARG A 10 -3.059 -4.613 -6.650 1.00 0.46 C ATOM 142 CG ARG A 10 -2.161 -5.016 -7.808 1.00 0.97 C ATOM 143 CD ARG A 10 -1.898 -6.512 -7.811 1.00 1.34 C ATOM 144 NE ARG A 10 -3.056 -7.277 -8.273 1.00 2.11 N ATOM 145 CZ ARG A 10 -3.145 -8.608 -8.222 1.00 2.72 C ATOM 146 NH1 ARG A 10 -2.152 -9.328 -7.709 1.00 2.74 N ATOM 147 NH2 ARG A 10 -4.233 -9.213 -8.684 1.00 3.67 N ATOM 0 H ARG A 10 -4.071 -3.124 -8.466 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.797 -2.924 -5.568 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.614 -4.971 -5.722 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.018 -5.119 -6.759 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -2.626 -4.725 -8.750 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -1.215 -4.479 -7.741 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -1.043 -6.727 -8.452 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -1.630 -6.834 -6.805 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.846 -6.760 -8.659 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -1.317 -8.864 -7.352 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -2.225 -10.345 -7.672 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -4.996 -8.661 -9.076 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -4.306 -10.230 -8.647 1.00 3.67 H new ATOM 161 N PRO A 11 -1.471 -1.996 -5.395 1.00 0.43 N ATOM 162 CA PRO A 11 -0.136 -1.432 -5.285 1.00 0.50 C ATOM 163 C PRO A 11 0.887 -2.495 -5.654 1.00 0.47 C ATOM 164 O PRO A 11 0.693 -3.675 -5.357 1.00 0.54 O ATOM 165 CB PRO A 11 -0.033 -1.015 -3.817 1.00 0.62 C ATOM 166 CG PRO A 11 -1.051 -1.838 -3.104 1.00 0.64 C ATOM 167 CD PRO A 11 -2.139 -2.132 -4.094 1.00 0.53 C ATOM 0 HA PRO A 11 0.049 -0.588 -5.950 1.00 0.50 H new ATOM 0 HB2 PRO A 11 0.967 -1.199 -3.425 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.232 0.050 -3.695 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.609 -2.761 -2.730 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.447 -1.302 -2.242 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.546 -3.133 -3.956 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.970 -1.433 -3.995 1.00 0.53 H new ATOM 175 N GLN A 12 1.940 -2.102 -6.347 1.00 0.44 N ATOM 176 CA GLN A 12 2.816 -3.055 -6.953 1.00 0.43 C ATOM 177 C GLN A 12 4.248 -2.980 -6.410 1.00 0.37 C ATOM 178 O GLN A 12 4.602 -2.007 -5.765 1.00 0.40 O ATOM 179 CB GLN A 12 2.787 -2.771 -8.428 1.00 0.55 C ATOM 180 CG GLN A 12 3.127 -3.964 -9.244 1.00 0.73 C ATOM 181 CD GLN A 12 2.130 -5.106 -9.052 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.178 -5.238 -9.825 1.00 1.43 O ATOM 183 NE2 GLN A 12 2.292 -5.903 -7.991 1.00 1.32 N ATOM 0 H GLN A 12 2.199 -1.127 -6.497 1.00 0.44 H new ATOM 0 HA GLN A 12 2.479 -4.066 -6.725 1.00 0.43 H new ATOM 0 HB2 GLN A 12 1.795 -2.415 -8.707 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.489 -1.968 -8.654 1.00 0.55 H new ATOM 0 HG2 GLN A 12 3.156 -3.684 -10.297 1.00 0.73 H new ATOM 0 HG3 GLN A 12 4.126 -4.309 -8.978 1.00 0.73 H new ATOM 0 HE21 GLN A 12 3.090 -5.769 -7.370 1.00 1.32 H new ATOM 0 HE22 GLN A 12 1.618 -6.645 -7.803 1.00 1.32 H new ATOM 192 N ASP A 13 5.044 -4.043 -6.669 1.00 0.34 N ATOM 193 CA ASP A 13 6.409 -4.177 -6.273 1.00 0.33 C ATOM 194 C ASP A 13 7.291 -3.054 -6.797 1.00 0.36 C ATOM 195 O ASP A 13 6.933 -1.880 -6.840 1.00 0.50 O ATOM 196 CB ASP A 13 6.912 -5.497 -6.881 1.00 0.35 C ATOM 197 CG ASP A 13 5.996 -6.685 -6.652 1.00 1.04 C ATOM 198 OD1 ASP A 13 4.835 -6.636 -7.112 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.430 -7.663 -6.008 1.00 2.06 O ATOM 0 H ASP A 13 4.707 -4.854 -7.187 1.00 0.34 H new ATOM 0 HA ASP A 13 6.462 -4.149 -5.185 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.047 -5.360 -7.954 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.893 -5.725 -6.463 1.00 0.35 H new ATOM 204 N GLY A 14 8.463 -3.464 -7.202 1.00 0.30 N ATOM 205 CA GLY A 14 9.451 -2.554 -7.701 1.00 0.30 C ATOM 206 C GLY A 14 10.840 -2.951 -7.289 1.00 0.25 C ATOM 207 O GLY A 14 11.093 -3.338 -6.148 1.00 0.28 O ATOM 0 H GLY A 14 8.757 -4.441 -7.194 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.392 -2.516 -8.789 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.237 -1.550 -7.335 1.00 0.30 H new ATOM 211 N GLU A 15 11.725 -2.868 -8.238 1.00 0.26 N ATOM 212 CA GLU A 15 13.138 -3.114 -8.016 1.00 0.25 C ATOM 213 C GLU A 15 13.872 -1.798 -8.095 1.00 0.23 C ATOM 214 O GLU A 15 13.899 -1.162 -9.150 1.00 0.30 O ATOM 215 CB GLU A 15 13.708 -4.078 -9.055 1.00 0.33 C ATOM 216 CG GLU A 15 13.205 -5.503 -8.936 1.00 0.69 C ATOM 217 CD GLU A 15 14.047 -6.451 -9.757 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.239 -6.624 -9.422 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.535 -7.009 -10.745 1.00 1.53 O ATOM 0 H GLU A 15 11.494 -2.626 -9.202 1.00 0.26 H new ATOM 0 HA GLU A 15 13.264 -3.569 -7.034 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.467 -3.703 -10.050 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.795 -4.082 -8.970 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.221 -5.811 -7.890 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.168 -5.554 -9.267 1.00 0.69 H new ATOM 226 N VAL A 16 14.451 -1.368 -6.992 1.00 0.20 N ATOM 227 CA VAL A 16 15.028 -0.093 -6.914 1.00 0.21 C ATOM 228 C VAL A 16 16.363 -0.230 -6.239 1.00 0.22 C ATOM 229 O VAL A 16 16.667 -1.243 -5.624 1.00 0.27 O ATOM 230 CB VAL A 16 14.134 0.878 -6.129 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.675 0.701 -6.510 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.335 0.737 -4.627 1.00 0.23 C ATOM 0 H VAL A 16 14.521 -1.916 -6.134 1.00 0.20 H new ATOM 0 HA VAL A 16 15.145 0.316 -7.918 1.00 0.21 H new ATOM 0 HB VAL A 16 14.431 1.891 -6.400 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.063 1.400 -5.940 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.551 0.895 -7.575 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.362 -0.319 -6.288 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.686 1.440 -4.105 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.089 -0.280 -4.321 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.375 0.950 -4.377 1.00 0.23 H new ATOM 242 N THR A 17 17.140 0.772 -6.388 1.00 0.23 N ATOM 243 CA THR A 17 18.447 0.835 -5.784 1.00 0.27 C ATOM 244 C THR A 17 18.357 1.608 -4.476 1.00 0.28 C ATOM 245 O THR A 17 17.452 2.431 -4.299 1.00 0.28 O ATOM 246 CB THR A 17 19.445 1.541 -6.712 1.00 0.35 C ATOM 247 OG1 THR A 17 18.946 1.533 -8.059 1.00 0.77 O ATOM 248 CG2 THR A 17 20.804 0.860 -6.665 1.00 0.56 C ATOM 0 H THR A 17 16.898 1.595 -6.940 1.00 0.23 H new ATOM 0 HA THR A 17 18.795 -0.182 -5.603 1.00 0.27 H new ATOM 0 HB THR A 17 19.562 2.570 -6.372 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.585 1.986 -8.647 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.494 1.378 -7.331 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.191 0.890 -5.646 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.702 -0.177 -6.984 1.00 0.56 H new ATOM 256 N VAL A 18 19.269 1.336 -3.560 1.00 0.31 N ATOM 257 CA VAL A 18 19.339 2.090 -2.336 1.00 0.35 C ATOM 258 C VAL A 18 19.722 3.497 -2.656 1.00 0.36 C ATOM 259 O VAL A 18 20.848 3.811 -3.045 1.00 0.39 O ATOM 260 CB VAL A 18 20.357 1.586 -1.327 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.086 2.184 0.043 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.397 0.075 -1.267 1.00 0.78 C ATOM 0 H VAL A 18 19.968 0.598 -3.647 1.00 0.31 H new ATOM 0 HA VAL A 18 18.351 1.992 -1.885 1.00 0.35 H new ATOM 0 HB VAL A 18 21.342 1.914 -1.659 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.824 1.813 0.754 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.152 3.270 -0.015 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.087 1.898 0.374 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.138 -0.240 -0.533 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.417 -0.304 -0.978 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.665 -0.321 -2.247 1.00 0.78 H new ATOM 272 N GLY A 19 18.749 4.300 -2.518 1.00 0.38 N ATOM 273 CA GLY A 19 18.906 5.721 -2.683 1.00 0.45 C ATOM 274 C GLY A 19 18.107 6.265 -3.840 1.00 0.40 C ATOM 275 O GLY A 19 18.302 7.413 -4.241 1.00 0.48 O ATOM 0 H GLY A 19 17.800 4.007 -2.284 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.599 6.225 -1.766 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.961 5.950 -2.835 1.00 0.45 H new ATOM 279 N GLY A 20 17.218 5.454 -4.415 1.00 0.32 N ATOM 280 CA GLY A 20 16.343 5.972 -5.406 1.00 0.32 C ATOM 281 C GLY A 20 15.022 6.281 -4.813 1.00 0.30 C ATOM 282 O GLY A 20 14.888 7.052 -3.870 1.00 0.44 O ATOM 0 H GLY A 20 17.104 4.463 -4.203 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.772 6.873 -5.845 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.227 5.248 -6.213 1.00 0.32 H new ATOM 286 N SER A 21 14.061 5.680 -5.394 1.00 0.24 N ATOM 287 CA SER A 21 12.725 5.765 -4.968 1.00 0.22 C ATOM 288 C SER A 21 11.983 4.511 -5.334 1.00 0.22 C ATOM 289 O SER A 21 12.459 3.679 -6.101 1.00 0.25 O ATOM 290 CB SER A 21 12.068 6.950 -5.611 1.00 0.30 C ATOM 291 OG SER A 21 12.324 6.990 -7.006 1.00 0.82 O ATOM 0 H SER A 21 14.190 5.089 -6.216 1.00 0.24 H new ATOM 0 HA SER A 21 12.704 5.882 -3.884 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.993 6.910 -5.438 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.432 7.866 -5.146 1.00 0.30 H new ATOM 0 HG SER A 21 11.882 7.772 -7.397 1.00 0.82 H new ATOM 297 N ILE A 22 10.823 4.412 -4.774 1.00 0.22 N ATOM 298 CA ILE A 22 9.857 3.438 -5.118 1.00 0.24 C ATOM 299 C ILE A 22 8.490 4.045 -4.919 1.00 0.25 C ATOM 300 O ILE A 22 8.275 4.947 -4.117 1.00 0.27 O ATOM 301 CB ILE A 22 10.019 2.132 -4.341 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.026 1.093 -4.822 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.898 2.320 -2.842 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.221 0.671 -6.257 1.00 0.32 C ATOM 0 H ILE A 22 10.515 5.039 -4.031 1.00 0.22 H new ATOM 0 HA ILE A 22 9.995 3.159 -6.162 1.00 0.24 H new ATOM 0 HB ILE A 22 11.031 1.779 -4.538 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.099 0.213 -4.183 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.017 1.489 -4.705 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.022 1.359 -2.344 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.670 3.009 -2.498 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.916 2.728 -2.605 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.471 -0.074 -6.522 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.117 1.539 -6.909 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.216 0.243 -6.378 1.00 0.32 H new ATOM 316 N THR A 23 7.605 3.593 -5.704 1.00 0.25 N ATOM 317 CA THR A 23 6.259 4.120 -5.715 1.00 0.23 C ATOM 318 C THR A 23 5.242 3.013 -5.829 1.00 0.24 C ATOM 319 O THR A 23 5.319 2.147 -6.700 1.00 0.28 O ATOM 320 CB THR A 23 6.019 5.133 -6.840 1.00 0.26 C ATOM 321 OG1 THR A 23 7.084 6.088 -6.873 1.00 0.31 O ATOM 322 CG2 THR A 23 4.697 5.860 -6.625 1.00 0.24 C ATOM 0 H THR A 23 7.768 2.841 -6.373 1.00 0.25 H new ATOM 0 HA THR A 23 6.140 4.639 -4.764 1.00 0.23 H new ATOM 0 HB THR A 23 5.982 4.595 -7.787 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.925 6.731 -7.595 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.540 6.576 -7.432 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.881 5.137 -6.618 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.723 6.388 -5.671 1.00 0.24 H new ATOM 330 N PHE A 24 4.303 3.063 -4.924 1.00 0.24 N ATOM 331 CA PHE A 24 3.195 2.146 -4.886 1.00 0.27 C ATOM 332 C PHE A 24 1.912 2.966 -4.866 1.00 0.24 C ATOM 333 O PHE A 24 1.890 4.071 -4.334 1.00 0.30 O ATOM 334 CB PHE A 24 3.268 1.299 -3.621 1.00 0.40 C ATOM 335 CG PHE A 24 4.658 0.883 -3.221 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.214 -0.286 -3.713 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.413 1.665 -2.373 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.494 -0.658 -3.364 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.693 1.298 -2.016 1.00 0.51 C ATOM 340 CZ PHE A 24 7.204 0.096 -2.450 1.00 0.49 C ATOM 0 H PHE A 24 4.286 3.757 -4.176 1.00 0.24 H new ATOM 0 HA PHE A 24 3.221 1.487 -5.754 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.820 1.858 -2.799 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.663 0.404 -3.764 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.638 -0.913 -4.378 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.995 2.581 -1.982 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.941 -1.537 -3.804 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.292 1.951 -1.399 1.00 0.51 H new ATOM 0 HZ PHE A 24 8.155 -0.256 -2.078 1.00 0.49 H new ATOM 350 N SER A 25 0.869 2.447 -5.461 1.00 0.28 N ATOM 351 CA SER A 25 -0.425 3.086 -5.450 1.00 0.28 C ATOM 352 C SER A 25 -1.515 2.038 -5.292 1.00 0.27 C ATOM 353 O SER A 25 -1.586 1.066 -6.040 1.00 0.31 O ATOM 354 CB SER A 25 -0.658 3.856 -6.730 1.00 0.35 C ATOM 355 OG SER A 25 0.530 4.494 -7.174 1.00 0.58 O ATOM 0 H SER A 25 0.892 1.564 -5.970 1.00 0.28 H new ATOM 0 HA SER A 25 -0.454 3.782 -4.612 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.020 3.178 -7.503 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.436 4.603 -6.571 1.00 0.35 H new ATOM 0 HG SER A 25 0.348 4.982 -8.004 1.00 0.58 H new ATOM 361 N ALA A 26 -2.356 2.265 -4.332 1.00 0.26 N ATOM 362 CA ALA A 26 -3.428 1.342 -3.988 1.00 0.26 C ATOM 363 C ALA A 26 -4.782 2.032 -4.109 1.00 0.22 C ATOM 364 O ALA A 26 -5.068 2.982 -3.383 1.00 0.25 O ATOM 365 CB ALA A 26 -3.222 0.814 -2.573 1.00 0.32 C ATOM 0 H ALA A 26 -2.330 3.102 -3.750 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.409 0.502 -4.683 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -4.027 0.124 -2.321 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.266 0.293 -2.515 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.225 1.647 -1.870 1.00 0.32 H new ATOM 371 N ARG A 27 -5.608 1.566 -5.034 1.00 0.22 N ATOM 372 CA ARG A 27 -6.917 2.169 -5.252 1.00 0.25 C ATOM 373 C ARG A 27 -8.003 1.295 -4.662 1.00 0.23 C ATOM 374 O ARG A 27 -8.157 0.137 -5.059 1.00 0.31 O ATOM 375 CB ARG A 27 -7.182 2.379 -6.739 1.00 0.36 C ATOM 376 CG ARG A 27 -6.178 3.291 -7.406 1.00 0.28 C ATOM 377 CD ARG A 27 -6.415 3.348 -8.902 1.00 0.46 C ATOM 378 NE ARG A 27 -7.452 4.308 -9.279 1.00 1.22 N ATOM 379 CZ ARG A 27 -8.155 4.234 -10.412 1.00 1.55 C ATOM 380 NH1 ARG A 27 -8.001 3.199 -11.236 1.00 1.46 N ATOM 381 NH2 ARG A 27 -9.016 5.194 -10.718 1.00 2.43 N ATOM 0 H ARG A 27 -5.398 0.776 -5.644 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.925 3.140 -4.756 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.173 1.412 -7.242 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.181 2.796 -6.867 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.252 4.293 -6.983 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.167 2.935 -7.206 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.483 3.612 -9.402 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.698 2.357 -9.258 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.650 5.078 -8.640 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.342 2.456 -11.004 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -8.542 3.150 -12.100 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.140 5.987 -10.089 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.554 5.140 -11.583 1.00 2.43 H new ATOM 395 N VAL A 28 -8.768 1.852 -3.736 1.00 0.19 N ATOM 396 CA VAL A 28 -9.768 1.102 -3.040 1.00 0.20 C ATOM 397 C VAL A 28 -11.122 1.735 -3.228 1.00 0.23 C ATOM 398 O VAL A 28 -11.323 2.929 -3.006 1.00 0.24 O ATOM 399 CB VAL A 28 -9.480 0.995 -1.540 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.416 -0.015 -0.897 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.020 0.637 -1.303 1.00 0.23 C ATOM 0 H VAL A 28 -8.704 2.831 -3.457 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.754 0.098 -3.463 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.661 1.963 -1.073 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.201 -0.082 0.170 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.449 0.303 -1.040 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.270 -0.992 -1.359 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.832 0.565 -0.232 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.799 -0.320 -1.775 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.382 1.409 -1.732 1.00 0.23 H new ATOM 411 N ALA A 29 -12.009 0.912 -3.680 1.00 0.29 N ATOM 412 CA ALA A 29 -13.398 1.253 -3.866 1.00 0.32 C ATOM 413 C ALA A 29 -14.032 1.722 -2.570 1.00 0.34 C ATOM 414 O ALA A 29 -14.237 0.936 -1.648 1.00 0.40 O ATOM 415 CB ALA A 29 -14.154 0.053 -4.400 1.00 0.38 C ATOM 0 H ALA A 29 -11.790 -0.049 -3.941 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.451 2.071 -4.584 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.203 0.316 -4.539 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.727 -0.251 -5.356 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.077 -0.771 -3.690 1.00 0.38 H new ATOM 421 N GLY A 30 -14.310 3.011 -2.521 1.00 0.35 N ATOM 422 CA GLY A 30 -15.064 3.594 -1.424 1.00 0.42 C ATOM 423 C GLY A 30 -16.338 2.824 -1.159 1.00 0.50 C ATOM 424 O GLY A 30 -16.549 2.339 -0.062 1.00 0.76 O ATOM 0 H GLY A 30 -14.022 3.681 -3.235 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.450 3.605 -0.524 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.306 4.631 -1.657 1.00 0.42 H new ATOM 428 N ALA A 31 -17.179 2.738 -2.187 1.00 0.49 N ATOM 429 CA ALA A 31 -18.335 1.835 -2.217 1.00 0.55 C ATOM 430 C ALA A 31 -19.349 2.080 -1.099 1.00 0.64 C ATOM 431 O ALA A 31 -19.293 3.083 -0.389 1.00 0.71 O ATOM 432 CB ALA A 31 -17.847 0.393 -2.185 1.00 0.58 C ATOM 0 H ALA A 31 -17.079 3.298 -3.034 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.869 2.041 -3.144 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.703 -0.281 -2.207 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.214 0.204 -3.052 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.275 0.223 -1.273 1.00 0.58 H new ATOM 438 N SER A 32 -20.303 1.162 -0.998 1.00 0.85 N ATOM 439 CA SER A 32 -21.312 1.184 0.050 1.00 0.96 C ATOM 440 C SER A 32 -21.056 0.048 1.041 1.00 1.01 C ATOM 441 O SER A 32 -20.861 -1.111 0.641 1.00 1.69 O ATOM 442 CB SER A 32 -22.702 1.058 -0.574 1.00 1.19 C ATOM 443 OG SER A 32 -22.743 -0.020 -1.500 1.00 1.74 O ATOM 0 H SER A 32 -20.397 0.379 -1.644 1.00 0.85 H new ATOM 0 HA SER A 32 -21.258 2.129 0.590 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.444 0.900 0.209 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.965 1.988 -1.079 1.00 1.19 H new ATOM 0 HG SER A 32 -22.162 -0.744 -1.185 1.00 1.74 H new ATOM 449 N LEU A 33 -21.049 0.383 2.324 1.00 0.96 N ATOM 450 CA LEU A 33 -20.662 -0.540 3.372 1.00 0.93 C ATOM 451 C LEU A 33 -21.166 -0.099 4.734 1.00 0.90 C ATOM 452 O LEU A 33 -21.878 0.899 4.863 1.00 0.98 O ATOM 453 CB LEU A 33 -19.135 -0.705 3.455 1.00 0.99 C ATOM 454 CG LEU A 33 -18.220 0.514 3.172 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.784 0.499 1.722 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.861 1.862 3.520 1.00 1.95 C ATOM 0 H LEU A 33 -21.313 1.307 2.664 1.00 0.96 H new ATOM 0 HA LEU A 33 -21.119 -1.493 3.107 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.899 -1.065 4.456 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.853 -1.494 2.758 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.356 0.414 3.829 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.141 1.357 1.527 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.235 -0.420 1.517 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.662 0.549 1.078 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.161 2.667 3.295 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.769 1.996 2.932 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.109 1.884 4.581 1.00 1.95 H new ATOM 468 N LEU A 34 -20.777 -0.862 5.750 1.00 0.87 N ATOM 469 CA LEU A 34 -21.043 -0.493 7.124 1.00 0.89 C ATOM 470 C LEU A 34 -20.165 0.698 7.490 1.00 0.84 C ATOM 471 O LEU A 34 -20.616 1.672 8.095 1.00 0.95 O ATOM 472 CB LEU A 34 -20.750 -1.666 8.058 1.00 1.01 C ATOM 473 CG LEU A 34 -21.196 -1.445 9.500 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.704 -1.608 9.630 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.459 -2.382 10.441 1.00 1.47 C ATOM 0 H LEU A 34 -20.274 -1.743 5.640 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.094 -0.226 7.232 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.243 -2.557 7.670 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.678 -1.865 8.048 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.945 -0.423 9.783 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.999 -1.446 10.667 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.205 -0.880 8.992 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.989 -2.615 9.325 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.793 -2.207 11.464 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.668 -3.415 10.163 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.387 -2.197 10.372 1.00 1.47 H new ATOM 487 N LYS A 35 -18.902 0.599 7.098 1.00 0.76 N ATOM 488 CA LYS A 35 -17.949 1.678 7.262 1.00 0.76 C ATOM 489 C LYS A 35 -16.905 1.610 6.158 1.00 0.65 C ATOM 490 O LYS A 35 -16.631 0.524 5.641 1.00 0.75 O ATOM 491 CB LYS A 35 -17.306 1.646 8.665 1.00 0.90 C ATOM 492 CG LYS A 35 -16.863 0.263 9.157 1.00 0.92 C ATOM 493 CD LYS A 35 -15.680 -0.288 8.373 1.00 0.90 C ATOM 494 CE LYS A 35 -15.046 -1.484 9.070 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.385 -1.086 10.342 1.00 1.40 N ATOM 0 H LYS A 35 -18.513 -0.235 6.657 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.472 2.631 7.180 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.439 2.307 8.663 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.018 2.056 9.381 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.597 0.325 10.212 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.700 -0.431 9.080 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.010 -0.581 7.376 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.933 0.495 8.244 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.810 -2.234 9.275 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.314 -1.947 8.408 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.706 -1.821 10.625 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -13.884 -0.185 10.206 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.103 -0.973 11.086 1.00 1.40 H new ATOM 509 N PRO A 36 -16.348 2.772 5.764 1.00 0.65 N ATOM 510 CA PRO A 36 -15.381 2.876 4.656 1.00 0.56 C ATOM 511 C PRO A 36 -14.276 1.836 4.751 1.00 0.45 C ATOM 512 O PRO A 36 -13.901 1.429 5.857 1.00 0.47 O ATOM 513 CB PRO A 36 -14.810 4.284 4.828 1.00 0.61 C ATOM 514 CG PRO A 36 -15.908 5.052 5.470 1.00 0.88 C ATOM 515 CD PRO A 36 -16.611 4.084 6.381 1.00 0.88 C ATOM 0 HA PRO A 36 -15.846 2.702 3.686 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.914 4.276 5.449 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.529 4.719 3.869 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.515 5.901 6.030 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.593 5.453 4.723 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.220 4.134 7.397 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.679 4.292 6.439 1.00 0.88 H new ATOM 523 N PRO A 37 -13.744 1.381 3.600 1.00 0.40 N ATOM 524 CA PRO A 37 -12.728 0.335 3.586 1.00 0.35 C ATOM 525 C PRO A 37 -11.578 0.608 4.531 1.00 0.32 C ATOM 526 O PRO A 37 -10.998 1.697 4.553 1.00 0.36 O ATOM 527 CB PRO A 37 -12.194 0.310 2.168 1.00 0.40 C ATOM 528 CG PRO A 37 -13.003 1.282 1.361 1.00 0.53 C ATOM 529 CD PRO A 37 -14.082 1.854 2.238 1.00 0.47 C ATOM 0 HA PRO A 37 -13.172 -0.607 3.908 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.139 0.583 2.151 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.270 -0.693 1.748 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.365 2.079 0.978 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.443 0.783 0.497 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.098 2.943 2.189 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.069 1.507 1.931 1.00 0.47 H new ATOM 537 N VAL A 38 -11.241 -0.408 5.290 1.00 0.29 N ATOM 538 CA VAL A 38 -10.112 -0.357 6.165 1.00 0.27 C ATOM 539 C VAL A 38 -9.011 -1.076 5.472 1.00 0.22 C ATOM 540 O VAL A 38 -8.993 -2.299 5.370 1.00 0.20 O ATOM 541 CB VAL A 38 -10.316 -1.049 7.506 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.354 -0.497 8.543 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.750 -0.946 7.975 1.00 0.77 C ATOM 0 H VAL A 38 -11.749 -1.292 5.312 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.914 0.693 6.378 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.100 -2.109 7.372 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.515 -1.004 9.495 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.329 -0.662 8.213 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.527 0.572 8.667 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.856 -1.451 8.935 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.022 0.104 8.086 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.407 -1.416 7.243 1.00 0.77 H new ATOM 553 N VAL A 39 -8.122 -0.312 4.998 1.00 0.22 N ATOM 554 CA VAL A 39 -6.978 -0.810 4.322 1.00 0.21 C ATOM 555 C VAL A 39 -5.801 -0.570 5.210 1.00 0.20 C ATOM 556 O VAL A 39 -5.441 0.572 5.497 1.00 0.23 O ATOM 557 CB VAL A 39 -6.705 -0.084 3.005 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.918 -0.971 2.052 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.991 0.432 2.376 1.00 0.24 C ATOM 0 H VAL A 39 -8.158 0.705 5.064 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.149 -1.863 4.099 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.090 0.789 3.221 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.735 -0.433 1.122 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.965 -1.240 2.508 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.488 -1.876 1.842 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.759 0.943 1.441 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.660 -0.405 2.176 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.476 1.129 3.060 1.00 0.24 H new ATOM 569 N LYS A 40 -5.228 -1.627 5.655 1.00 0.19 N ATOM 570 CA LYS A 40 -4.032 -1.543 6.402 1.00 0.20 C ATOM 571 C LYS A 40 -2.895 -1.964 5.549 1.00 0.19 C ATOM 572 O LYS A 40 -2.892 -3.007 4.892 1.00 0.21 O ATOM 573 CB LYS A 40 -4.089 -2.330 7.701 1.00 0.26 C ATOM 574 CG LYS A 40 -4.521 -3.779 7.567 1.00 0.31 C ATOM 575 CD LYS A 40 -3.352 -4.694 7.207 1.00 0.37 C ATOM 576 CE LYS A 40 -3.678 -6.154 7.473 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.757 -6.458 8.929 1.00 1.54 N ATOM 0 H LYS A 40 -5.576 -2.575 5.511 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.891 -0.505 6.703 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.103 -2.304 8.165 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.775 -1.826 8.382 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.967 -4.112 8.504 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.292 -3.858 6.801 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.099 -4.564 6.155 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.473 -4.406 7.785 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -4.627 -6.404 7.000 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.917 -6.784 7.013 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.710 -7.487 9.072 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.963 -6.003 9.422 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.654 -6.097 9.311 1.00 1.54 H new ATOM 591 N TRP A 41 -1.991 -1.071 5.498 1.00 0.18 N ATOM 592 CA TRP A 41 -0.766 -1.281 4.818 1.00 0.19 C ATOM 593 C TRP A 41 0.223 -2.001 5.689 1.00 0.21 C ATOM 594 O TRP A 41 0.218 -1.887 6.915 1.00 0.28 O ATOM 595 CB TRP A 41 -0.186 0.039 4.386 1.00 0.21 C ATOM 596 CG TRP A 41 -0.920 0.661 3.260 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.032 1.438 3.342 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.602 0.536 1.879 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.383 1.869 2.083 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.533 1.306 1.171 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.386 -0.149 1.172 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.494 1.421 -0.207 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.416 -0.042 -0.201 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.527 0.736 -0.876 1.00 0.33 C ATOM 0 H TRP A 41 -2.076 -0.153 5.934 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.969 -1.899 3.943 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.188 0.724 5.234 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.855 -0.107 4.096 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.558 1.680 4.254 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.151 2.504 1.866 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.115 -0.753 1.692 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.208 2.035 -0.735 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.177 -0.565 -0.761 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.488 0.795 -1.954 1.00 0.33 H new ATOM 615 N PHE A 42 1.067 -2.724 5.023 1.00 0.21 N ATOM 616 CA PHE A 42 2.196 -3.360 5.628 1.00 0.23 C ATOM 617 C PHE A 42 3.362 -2.947 4.779 1.00 0.26 C ATOM 618 O PHE A 42 3.244 -2.850 3.563 1.00 0.34 O ATOM 619 CB PHE A 42 2.034 -4.882 5.660 1.00 0.26 C ATOM 620 CG PHE A 42 2.993 -5.596 6.573 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.703 -5.737 7.922 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.174 -6.129 6.087 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.575 -6.395 8.766 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.051 -6.790 6.928 1.00 0.50 C ATOM 625 CZ PHE A 42 4.749 -6.923 8.269 1.00 0.60 C ATOM 0 H PHE A 42 0.989 -2.893 4.020 1.00 0.21 H new ATOM 0 HA PHE A 42 2.323 -3.065 6.670 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.016 -5.119 5.968 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.160 -5.269 4.649 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.785 -5.327 8.316 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.414 -6.028 5.039 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.338 -6.496 9.815 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.970 -7.201 6.537 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.431 -7.440 8.928 1.00 0.60 H new ATOM 635 N LYS A 43 4.441 -2.642 5.407 1.00 0.28 N ATOM 636 CA LYS A 43 5.573 -2.087 4.735 1.00 0.31 C ATOM 637 C LYS A 43 6.577 -3.218 4.636 1.00 0.39 C ATOM 638 O LYS A 43 6.407 -4.158 5.368 1.00 0.81 O ATOM 639 CB LYS A 43 6.075 -0.868 5.552 1.00 0.40 C ATOM 640 CG LYS A 43 7.542 -0.487 5.394 1.00 0.54 C ATOM 641 CD LYS A 43 7.820 0.329 4.155 1.00 0.67 C ATOM 642 CE LYS A 43 9.285 0.717 4.091 1.00 1.29 C ATOM 643 NZ LYS A 43 9.626 1.420 2.829 1.00 2.17 N ATOM 0 H LYS A 43 4.569 -2.770 6.411 1.00 0.28 H new ATOM 0 HA LYS A 43 5.365 -1.712 3.733 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.469 -0.004 5.279 1.00 0.40 H new ATOM 0 HB3 LYS A 43 5.888 -1.067 6.607 1.00 0.40 H new ATOM 0 HG2 LYS A 43 7.859 0.078 6.271 1.00 0.54 H new ATOM 0 HG3 LYS A 43 8.144 -1.395 5.365 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.550 -0.244 3.267 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.200 1.226 4.156 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.526 1.359 4.938 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.900 -0.178 4.184 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.660 1.470 2.728 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.224 0.901 2.023 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.234 2.383 2.851 1.00 2.17 H new ATOM 657 N GLY A 44 7.602 -3.051 3.785 1.00 0.64 N ATOM 658 CA GLY A 44 8.703 -4.006 3.502 1.00 0.92 C ATOM 659 C GLY A 44 8.877 -5.250 4.404 1.00 0.39 C ATOM 660 O GLY A 44 7.955 -5.748 4.964 1.00 1.23 O ATOM 0 H GLY A 44 7.697 -2.195 3.239 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.576 -4.359 2.479 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.638 -3.446 3.532 1.00 0.92 H new ATOM 664 N LYS A 45 9.992 -5.937 4.251 1.00 0.85 N ATOM 665 CA LYS A 45 10.193 -7.285 4.821 1.00 1.06 C ATOM 666 C LYS A 45 9.742 -7.502 6.292 1.00 0.74 C ATOM 667 O LYS A 45 9.855 -8.622 6.789 1.00 0.82 O ATOM 668 CB LYS A 45 11.682 -7.616 4.725 1.00 1.67 C ATOM 669 CG LYS A 45 12.003 -8.627 3.641 1.00 2.44 C ATOM 670 CD LYS A 45 13.485 -8.951 3.585 1.00 2.82 C ATOM 671 CE LYS A 45 13.953 -9.633 4.860 1.00 2.98 C ATOM 672 NZ LYS A 45 15.281 -10.267 4.688 1.00 3.87 N ATOM 0 H LYS A 45 10.796 -5.588 3.729 1.00 0.85 H new ATOM 0 HA LYS A 45 9.548 -7.940 4.235 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.239 -6.699 4.534 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.024 -8.002 5.685 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.439 -9.542 3.820 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.680 -8.238 2.675 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.685 -9.597 2.730 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.054 -8.034 3.431 1.00 2.82 H new ATOM 0 HE2 LYS A 45 14.001 -8.902 5.667 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.225 -10.388 5.157 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.567 -10.722 5.579 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.229 -10.982 3.935 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.981 -9.542 4.429 1.00 3.87 H new ATOM 686 N TRP A 46 9.227 -6.477 6.986 1.00 0.58 N ATOM 687 CA TRP A 46 8.789 -6.643 8.373 1.00 0.57 C ATOM 688 C TRP A 46 7.948 -5.483 8.928 1.00 0.63 C ATOM 689 O TRP A 46 7.352 -5.597 10.001 1.00 0.74 O ATOM 690 CB TRP A 46 10.014 -6.759 9.245 1.00 0.76 C ATOM 691 CG TRP A 46 11.084 -5.776 8.883 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.984 -5.883 7.865 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.345 -4.528 9.524 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.775 -4.769 7.815 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.410 -3.920 8.832 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.778 -3.866 10.614 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.909 -2.671 9.198 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.272 -2.635 10.977 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.326 -2.047 10.272 1.00 2.11 C ATOM 0 H TRP A 46 9.106 -5.536 6.612 1.00 0.58 H new ATOM 0 HA TRP A 46 8.156 -7.531 8.382 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.728 -6.609 10.286 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.415 -7.770 9.167 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.061 -6.726 7.195 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.515 -4.596 7.134 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.964 -4.314 11.164 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.723 -2.212 8.657 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.839 -2.115 11.819 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.690 -1.078 10.580 1.00 2.11 H new ATOM 710 N VAL A 47 7.908 -4.388 8.208 1.00 0.63 N ATOM 711 CA VAL A 47 7.522 -3.129 8.719 1.00 0.74 C ATOM 712 C VAL A 47 6.049 -2.840 8.522 1.00 0.59 C ATOM 713 O VAL A 47 5.312 -3.531 7.829 1.00 0.57 O ATOM 714 CB VAL A 47 8.340 -2.004 8.052 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.983 -1.146 9.107 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.403 -2.542 7.093 1.00 1.29 C ATOM 0 H VAL A 47 8.155 -4.366 7.219 1.00 0.63 H new ATOM 0 HA VAL A 47 7.718 -3.162 9.791 1.00 0.74 H new ATOM 0 HB VAL A 47 7.647 -1.407 7.459 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.559 -0.353 8.630 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.211 -0.704 9.737 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.645 -1.758 9.720 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.950 -1.709 6.651 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.096 -3.181 7.640 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.922 -3.120 6.304 1.00 1.29 H new ATOM 726 N ASP A 48 5.678 -1.799 9.181 1.00 0.60 N ATOM 727 CA ASP A 48 4.413 -1.167 9.095 1.00 0.56 C ATOM 728 C ASP A 48 4.619 0.173 8.432 1.00 0.58 C ATOM 729 O ASP A 48 5.729 0.679 8.410 1.00 0.96 O ATOM 730 CB ASP A 48 3.841 -0.963 10.491 1.00 0.73 C ATOM 731 CG ASP A 48 4.884 -0.833 11.588 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.886 -0.111 11.396 1.00 2.22 O ATOM 733 OD2 ASP A 48 4.700 -1.449 12.656 1.00 2.73 O ATOM 0 H ASP A 48 6.299 -1.334 9.843 1.00 0.60 H new ATOM 0 HA ASP A 48 3.717 -1.780 8.522 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.222 -0.066 10.488 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.186 -1.802 10.728 1.00 0.73 H new ATOM 738 N LEU A 49 3.589 0.706 7.829 1.00 0.39 N ATOM 739 CA LEU A 49 3.627 2.081 7.359 1.00 0.35 C ATOM 740 C LEU A 49 2.997 3.026 8.341 1.00 0.41 C ATOM 741 O LEU A 49 3.519 4.109 8.546 1.00 0.44 O ATOM 742 CB LEU A 49 2.908 2.265 6.022 1.00 0.29 C ATOM 743 CG LEU A 49 3.537 1.640 4.783 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.078 0.228 4.562 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.151 2.426 3.572 1.00 0.28 C ATOM 0 H LEU A 49 2.712 0.217 7.648 1.00 0.39 H new ATOM 0 HA LEU A 49 4.686 2.308 7.240 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.901 1.861 6.126 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.806 3.335 5.842 1.00 0.29 H new ATOM 0 HG LEU A 49 4.615 1.645 4.942 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.554 -0.174 3.667 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.351 -0.382 5.423 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.996 0.213 4.435 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.602 1.977 2.687 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.066 2.423 3.467 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.503 3.452 3.677 1.00 0.28 H new ATOM 757 N SER A 50 1.934 2.593 8.995 1.00 0.48 N ATOM 758 CA SER A 50 1.055 3.485 9.730 1.00 0.58 C ATOM 759 C SER A 50 1.850 4.224 10.777 1.00 0.62 C ATOM 760 O SER A 50 1.448 5.284 11.255 1.00 0.70 O ATOM 761 CB SER A 50 -0.084 2.693 10.379 1.00 0.73 C ATOM 762 OG SER A 50 -1.034 3.550 10.996 1.00 1.23 O ATOM 0 H SER A 50 1.656 1.612 9.032 1.00 0.48 H new ATOM 0 HA SER A 50 0.617 4.207 9.041 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.580 2.084 9.624 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.326 2.009 11.122 1.00 0.73 H new ATOM 0 HG SER A 50 -1.747 3.012 11.398 1.00 1.23 H new ATOM 768 N SER A 51 2.995 3.661 11.118 1.00 0.64 N ATOM 769 CA SER A 51 3.791 4.218 12.148 1.00 0.75 C ATOM 770 C SER A 51 4.922 5.093 11.620 1.00 0.72 C ATOM 771 O SER A 51 5.504 5.890 12.355 1.00 0.85 O ATOM 772 CB SER A 51 4.341 3.116 13.033 1.00 0.90 C ATOM 773 OG SER A 51 3.367 2.662 13.959 1.00 1.34 O ATOM 0 H SER A 51 3.377 2.820 10.686 1.00 0.64 H new ATOM 0 HA SER A 51 3.143 4.870 12.734 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.674 2.282 12.415 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.215 3.482 13.572 1.00 0.90 H new ATOM 0 HG SER A 51 3.750 1.951 14.514 1.00 1.34 H new ATOM 779 N LYS A 52 5.228 4.928 10.354 1.00 0.62 N ATOM 780 CA LYS A 52 6.367 5.576 9.746 1.00 0.66 C ATOM 781 C LYS A 52 5.938 6.765 8.908 1.00 0.67 C ATOM 782 O LYS A 52 6.464 7.867 9.066 1.00 1.09 O ATOM 783 CB LYS A 52 7.107 4.577 8.861 1.00 0.65 C ATOM 784 CG LYS A 52 6.820 3.111 9.160 1.00 0.70 C ATOM 785 CD LYS A 52 7.080 2.715 10.613 1.00 0.78 C ATOM 786 CE LYS A 52 8.558 2.714 10.956 1.00 1.02 C ATOM 787 NZ LYS A 52 8.785 2.529 12.414 1.00 1.40 N ATOM 0 H LYS A 52 4.693 4.339 9.715 1.00 0.62 H new ATOM 0 HA LYS A 52 7.022 5.933 10.541 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.849 4.777 7.821 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.178 4.749 8.963 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.780 2.897 8.916 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.435 2.490 8.508 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.557 3.406 11.274 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.666 1.723 10.796 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.059 1.917 10.406 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.007 3.654 10.634 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.806 2.534 12.610 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.329 3.303 12.937 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.379 1.620 12.716 1.00 1.40 H new ATOM 801 N VAL A 53 5.025 6.460 7.989 1.00 0.34 N ATOM 802 CA VAL A 53 4.361 7.392 7.078 1.00 0.32 C ATOM 803 C VAL A 53 4.698 8.845 7.361 1.00 0.33 C ATOM 804 O VAL A 53 4.079 9.529 8.179 1.00 0.37 O ATOM 805 CB VAL A 53 2.834 7.139 7.089 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.048 8.165 6.286 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.536 5.766 6.541 1.00 0.35 C ATOM 0 H VAL A 53 4.710 5.500 7.851 1.00 0.34 H new ATOM 0 HA VAL A 53 4.743 7.200 6.075 1.00 0.32 H new ATOM 0 HB VAL A 53 2.519 7.223 8.129 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.985 7.929 6.336 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.219 9.159 6.699 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.377 8.143 5.247 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.459 5.596 6.552 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.904 5.695 5.518 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.029 5.014 7.157 1.00 0.35 H new ATOM 817 N GLY A 54 5.748 9.258 6.692 1.00 0.35 N ATOM 818 CA GLY A 54 6.253 10.605 6.809 1.00 0.41 C ATOM 819 C GLY A 54 7.063 11.020 5.597 1.00 0.44 C ATOM 820 O GLY A 54 6.641 10.813 4.465 1.00 0.70 O ATOM 0 H GLY A 54 6.277 8.668 6.050 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.419 11.294 6.939 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.873 10.682 7.702 1.00 0.41 H new ATOM 824 N GLN A 55 8.259 11.541 5.835 1.00 0.36 N ATOM 825 CA GLN A 55 9.037 12.200 4.784 1.00 0.43 C ATOM 826 C GLN A 55 9.620 11.210 3.768 1.00 0.39 C ATOM 827 O GLN A 55 9.826 11.557 2.607 1.00 0.50 O ATOM 828 CB GLN A 55 10.166 13.023 5.407 1.00 0.61 C ATOM 829 CG GLN A 55 10.746 14.071 4.468 1.00 1.43 C ATOM 830 CD GLN A 55 11.922 14.814 5.068 1.00 2.08 C ATOM 831 OE1 GLN A 55 12.139 15.991 4.783 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.695 14.129 5.893 1.00 2.69 N ATOM 0 H GLN A 55 8.716 11.522 6.747 1.00 0.36 H new ATOM 0 HA GLN A 55 8.351 12.852 4.243 1.00 0.43 H new ATOM 0 HB2 GLN A 55 9.792 13.518 6.303 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.963 12.350 5.724 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.061 13.588 3.543 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.967 14.786 4.204 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.480 13.154 6.103 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.507 14.575 6.320 1.00 2.69 H new ATOM 841 N HIS A 56 9.888 9.982 4.201 1.00 0.36 N ATOM 842 CA HIS A 56 10.498 8.976 3.311 1.00 0.41 C ATOM 843 C HIS A 56 9.439 8.079 2.688 1.00 0.35 C ATOM 844 O HIS A 56 9.540 7.666 1.539 1.00 0.42 O ATOM 845 CB HIS A 56 11.524 8.126 4.075 1.00 0.54 C ATOM 846 CG HIS A 56 10.941 7.314 5.199 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.454 6.036 5.031 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.750 7.613 6.506 1.00 1.06 C ATOM 849 CE1 HIS A 56 9.981 5.591 6.180 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.151 6.526 7.097 1.00 1.33 N ATOM 0 H HIS A 56 9.699 9.654 5.148 1.00 0.36 H new ATOM 0 HA HIS A 56 11.010 9.510 2.510 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.015 7.453 3.373 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.294 8.783 4.479 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.019 8.537 6.995 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.530 4.623 6.343 1.00 1.11 H new ATOM 0 HE2 HIS A 56 9.883 6.454 8.079 1.00 1.33 H new ATOM 859 N LEU A 57 8.442 7.778 3.477 1.00 0.28 N ATOM 860 CA LEU A 57 7.297 7.014 3.056 1.00 0.25 C ATOM 861 C LEU A 57 6.094 7.840 3.391 1.00 0.23 C ATOM 862 O LEU A 57 5.722 7.936 4.541 1.00 0.29 O ATOM 863 CB LEU A 57 7.302 5.669 3.840 1.00 0.38 C ATOM 864 CG LEU A 57 6.053 4.743 3.897 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.649 4.541 5.340 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.868 5.230 3.077 1.00 1.10 C ATOM 0 H LEU A 57 8.402 8.064 4.455 1.00 0.28 H new ATOM 0 HA LEU A 57 7.302 6.786 1.990 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.118 5.071 3.434 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.564 5.907 4.871 1.00 0.38 H new ATOM 0 HG LEU A 57 6.347 3.798 3.439 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.774 3.893 5.386 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.471 4.080 5.887 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.410 5.505 5.789 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.043 4.524 3.175 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.553 6.209 3.439 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.158 5.306 2.029 1.00 1.10 H new ATOM 878 N GLN A 58 5.496 8.425 2.396 1.00 0.20 N ATOM 879 CA GLN A 58 4.220 8.993 2.551 1.00 0.21 C ATOM 880 C GLN A 58 3.240 7.965 2.071 1.00 0.18 C ATOM 881 O GLN A 58 3.204 7.608 0.899 1.00 0.19 O ATOM 882 CB GLN A 58 4.082 10.269 1.721 1.00 0.27 C ATOM 883 CG GLN A 58 5.206 11.279 1.913 1.00 0.46 C ATOM 884 CD GLN A 58 6.422 11.025 1.042 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.497 11.498 -0.091 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.397 10.326 1.580 1.00 0.28 N ATOM 0 H GLN A 58 5.892 8.514 1.460 1.00 0.20 H new ATOM 0 HA GLN A 58 4.045 9.266 3.592 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.033 9.997 0.667 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.135 10.748 1.971 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.823 12.277 1.702 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.513 11.270 2.959 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.295 9.951 2.523 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.255 10.159 1.054 1.00 0.28 H new ATOM 895 N LEU A 59 2.474 7.491 2.988 1.00 0.20 N ATOM 896 CA LEU A 59 1.362 6.640 2.687 1.00 0.20 C ATOM 897 C LEU A 59 0.161 7.559 2.727 1.00 0.21 C ATOM 898 O LEU A 59 -0.402 7.834 3.787 1.00 0.23 O ATOM 899 CB LEU A 59 1.264 5.483 3.720 1.00 0.23 C ATOM 900 CG LEU A 59 0.285 4.329 3.455 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.045 3.620 4.767 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.018 4.799 2.830 1.00 0.23 C ATOM 0 H LEU A 59 2.597 7.681 3.982 1.00 0.20 H new ATOM 0 HA LEU A 59 1.449 6.148 1.718 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.259 5.052 3.827 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.002 5.922 4.682 1.00 0.23 H new ATOM 0 HG LEU A 59 0.723 3.646 2.727 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.648 2.793 4.612 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.990 3.235 5.151 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.380 4.320 5.486 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.672 3.943 2.665 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.508 5.506 3.499 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.810 5.286 1.877 1.00 0.23 H new ATOM 914 N HIS A 60 -0.171 8.085 1.573 1.00 0.22 N ATOM 915 CA HIS A 60 -1.263 8.972 1.433 1.00 0.25 C ATOM 916 C HIS A 60 -2.512 8.215 1.191 1.00 0.24 C ATOM 917 O HIS A 60 -2.520 7.060 0.788 1.00 0.26 O ATOM 918 CB HIS A 60 -1.067 9.970 0.300 1.00 0.37 C ATOM 919 CG HIS A 60 0.017 10.967 0.536 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.964 11.280 -0.408 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.288 11.737 1.608 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.774 12.201 0.072 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.386 12.497 1.298 1.00 2.03 N ATOM 0 H HIS A 60 0.326 7.896 0.703 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.329 9.530 2.367 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.846 9.422 -0.616 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -2.004 10.502 0.135 1.00 0.37 H new ATOM 0 HD1 HIS A 60 1.030 10.864 -1.337 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -0.259 11.753 2.539 1.00 1.65 H new ATOM 0 HE1 HIS A 60 2.613 12.639 -0.449 1.00 1.91 H new ATOM 932 N ASP A 61 -3.541 8.911 1.466 1.00 0.29 N ATOM 933 CA ASP A 61 -4.873 8.470 1.252 1.00 0.32 C ATOM 934 C ASP A 61 -5.672 9.559 0.622 1.00 0.35 C ATOM 935 O ASP A 61 -5.972 10.593 1.212 1.00 0.48 O ATOM 936 CB ASP A 61 -5.564 8.007 2.510 1.00 0.44 C ATOM 937 CG ASP A 61 -5.192 8.795 3.752 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.059 8.641 4.248 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.044 9.555 4.259 1.00 0.92 O ATOM 0 H ASP A 61 -3.484 9.848 1.865 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.807 7.606 0.591 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.642 8.070 2.363 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.326 6.956 2.676 1.00 0.44 H new ATOM 944 N SER A 62 -5.977 9.297 -0.593 1.00 0.29 N ATOM 945 CA SER A 62 -6.845 10.141 -1.366 1.00 0.32 C ATOM 946 C SER A 62 -8.246 9.626 -1.198 1.00 0.32 C ATOM 947 O SER A 62 -8.459 8.430 -1.011 1.00 0.41 O ATOM 948 CB SER A 62 -6.465 10.158 -2.840 1.00 0.40 C ATOM 949 OG SER A 62 -5.056 10.212 -3.000 1.00 0.47 O ATOM 0 H SER A 62 -5.632 8.481 -1.098 1.00 0.29 H new ATOM 0 HA SER A 62 -6.757 11.168 -1.011 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.857 9.267 -3.331 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.923 11.018 -3.328 1.00 0.40 H new ATOM 0 HG SER A 62 -4.667 9.341 -2.774 1.00 0.47 H new ATOM 955 N TYR A 63 -9.186 10.514 -1.254 1.00 0.38 N ATOM 956 CA TYR A 63 -10.540 10.167 -0.964 1.00 0.45 C ATOM 957 C TYR A 63 -11.483 10.887 -1.880 1.00 0.47 C ATOM 958 O TYR A 63 -11.787 12.072 -1.719 1.00 0.54 O ATOM 959 CB TYR A 63 -10.830 10.429 0.508 1.00 0.64 C ATOM 960 CG TYR A 63 -12.281 10.697 0.861 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.220 9.674 0.798 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.716 11.959 1.242 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.546 9.900 1.106 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.045 12.193 1.553 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.931 11.217 1.537 1.00 1.07 C ATOM 966 OH TYR A 63 -16.275 11.386 1.796 1.00 1.39 O ATOM 0 H TYR A 63 -9.039 11.493 -1.500 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.693 9.103 -1.145 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.489 9.569 1.084 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.234 11.284 0.829 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.906 8.684 0.502 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.007 12.771 1.297 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.276 9.108 1.025 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.361 13.192 1.813 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.439 12.309 2.083 1.00 1.39 H new ATOM 976 N ASP A 64 -11.880 10.166 -2.890 1.00 0.47 N ATOM 977 CA ASP A 64 -12.889 10.643 -3.792 1.00 0.57 C ATOM 978 C ASP A 64 -14.084 9.737 -3.748 1.00 0.57 C ATOM 979 O ASP A 64 -13.999 8.527 -3.948 1.00 0.63 O ATOM 980 CB ASP A 64 -12.389 10.760 -5.211 1.00 0.71 C ATOM 981 CG ASP A 64 -13.340 11.536 -6.102 1.00 1.53 C ATOM 982 OD1 ASP A 64 -14.377 12.018 -5.608 1.00 2.42 O ATOM 983 OD2 ASP A 64 -13.051 11.664 -7.306 1.00 2.00 O ATOM 0 H ASP A 64 -11.517 9.239 -3.110 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.166 11.644 -3.463 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.416 11.251 -5.210 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.242 9.762 -5.624 1.00 0.71 H new ATOM 988 N ARG A 65 -15.174 10.354 -3.481 1.00 0.60 N ATOM 989 CA ARG A 65 -16.451 9.697 -3.405 1.00 0.64 C ATOM 990 C ARG A 65 -17.096 9.621 -4.778 1.00 0.74 C ATOM 991 O ARG A 65 -17.773 8.649 -5.112 1.00 0.88 O ATOM 992 CB ARG A 65 -17.344 10.480 -2.458 1.00 0.74 C ATOM 993 CG ARG A 65 -17.956 9.629 -1.383 1.00 0.86 C ATOM 994 CD ARG A 65 -18.754 8.497 -1.997 1.00 1.00 C ATOM 995 NE ARG A 65 -19.892 8.105 -1.171 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.867 7.300 -1.587 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.817 6.764 -2.802 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.888 7.031 -0.785 1.00 2.07 N ATOM 0 H ARG A 65 -15.218 11.357 -3.302 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.314 8.680 -3.037 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.761 11.276 -1.995 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -18.139 10.958 -3.030 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -17.174 9.225 -0.741 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.603 10.238 -0.752 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -19.111 8.800 -2.981 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.103 7.636 -2.145 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.943 8.469 -0.220 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -20.030 6.969 -3.418 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -21.565 6.147 -3.119 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.925 7.441 0.148 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.636 6.414 -1.101 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.872 10.659 -5.556 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.403 10.752 -6.908 1.00 0.93 C ATOM 1014 C ALA A 66 -16.790 9.689 -7.802 1.00 0.83 C ATOM 1015 O ALA A 66 -17.453 9.127 -8.673 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.162 12.139 -7.484 1.00 1.15 C ATOM 0 H ALA A 66 -16.316 11.466 -5.272 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.478 10.581 -6.863 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.566 12.188 -8.495 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.656 12.883 -6.859 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.091 12.341 -7.511 1.00 1.15 H new ATOM 1022 N SER A 67 -15.526 9.405 -7.565 1.00 0.72 N ATOM 1023 CA SER A 67 -14.850 8.344 -8.283 1.00 0.72 C ATOM 1024 C SER A 67 -15.018 7.049 -7.512 1.00 0.58 C ATOM 1025 O SER A 67 -14.850 5.959 -8.059 1.00 0.63 O ATOM 1026 CB SER A 67 -13.369 8.671 -8.463 1.00 0.83 C ATOM 1027 OG SER A 67 -13.203 9.887 -9.172 1.00 1.41 O ATOM 0 H SER A 67 -14.947 9.893 -6.882 1.00 0.72 H new ATOM 0 HA SER A 67 -15.289 8.240 -9.275 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.888 8.745 -7.488 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.876 7.861 -9.001 1.00 0.83 H new ATOM 0 HG SER A 67 -12.752 10.541 -8.598 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.361 7.199 -6.230 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.582 6.081 -5.330 1.00 0.50 C ATOM 1035 C LYS A 68 -14.273 5.342 -5.114 1.00 0.44 C ATOM 1036 O LYS A 68 -14.248 4.128 -4.923 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.623 5.135 -5.908 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.347 4.296 -4.875 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.800 2.981 -5.473 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.736 1.908 -5.294 1.00 2.27 C ATOM 1041 NZ LYS A 68 -17.037 0.682 -6.085 1.00 3.31 N ATOM 0 H LYS A 68 -15.492 8.110 -5.791 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.949 6.458 -4.375 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.357 5.718 -6.464 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.136 4.471 -6.622 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.689 4.108 -4.027 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -18.209 4.844 -4.494 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.728 2.662 -4.998 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.014 3.114 -6.534 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.767 2.305 -5.596 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.658 1.648 -4.238 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.012 -0.149 -5.460 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -17.982 0.767 -6.510 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -16.327 0.571 -6.837 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.187 6.089 -5.128 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.867 5.511 -4.983 1.00 0.31 C ATOM 1057 C VAL A 69 -11.102 6.246 -3.913 1.00 0.29 C ATOM 1058 O VAL A 69 -10.920 7.466 -3.967 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.014 5.572 -6.267 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.823 4.617 -6.183 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.839 5.293 -7.514 1.00 0.43 C ATOM 0 H VAL A 69 -13.194 7.103 -5.239 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.036 4.464 -4.732 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.634 6.590 -6.348 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.240 4.681 -7.102 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.196 4.891 -5.335 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.183 3.597 -6.053 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.198 5.346 -8.394 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.278 4.298 -7.445 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.633 6.035 -7.598 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.675 5.497 -2.946 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.723 5.972 -1.987 1.00 0.25 C ATOM 1073 C TYR A 70 -8.374 5.502 -2.454 1.00 0.22 C ATOM 1074 O TYR A 70 -8.063 4.311 -2.424 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.955 5.440 -0.578 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.361 5.601 -0.028 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.330 6.343 -0.695 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.710 5.009 1.173 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.605 6.484 -0.181 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.982 5.144 1.700 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.928 5.882 1.018 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.198 6.023 1.538 1.00 0.93 O ATOM 0 H TYR A 70 -10.977 4.534 -2.797 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.811 7.057 -1.926 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.700 4.380 -0.565 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.262 5.943 0.097 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.081 6.818 -1.632 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.974 4.429 1.710 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.345 7.062 -0.715 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.233 4.675 2.640 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.841 6.128 0.806 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.606 6.427 -2.916 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.291 6.117 -3.406 1.00 0.19 C ATOM 1094 C LEU A 71 -5.299 6.296 -2.306 1.00 0.20 C ATOM 1095 O LEU A 71 -4.922 7.404 -1.943 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.854 6.967 -4.600 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.348 6.842 -4.903 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.992 5.432 -5.355 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.889 7.865 -5.924 1.00 0.52 C ATOM 0 H LEU A 71 -7.860 7.413 -2.969 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.332 5.084 -3.751 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.423 6.668 -5.480 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.095 8.012 -4.404 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.818 7.047 -3.973 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.923 5.375 -5.561 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.248 4.722 -4.568 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.550 5.188 -6.259 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.822 7.742 -6.108 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.437 7.721 -6.855 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.078 8.869 -5.543 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.856 5.199 -1.817 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.770 5.178 -0.912 1.00 0.21 C ATOM 1113 C PHE A 72 -2.533 5.023 -1.742 1.00 0.23 C ATOM 1114 O PHE A 72 -2.291 3.986 -2.352 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.903 4.026 0.046 1.00 0.25 C ATOM 1116 CG PHE A 72 -5.075 4.123 0.979 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.346 3.787 0.548 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.904 4.558 2.281 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.428 3.884 1.401 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.980 4.656 3.140 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.242 4.284 2.706 1.00 0.30 C ATOM 0 H PHE A 72 -5.241 4.280 -2.036 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.737 6.091 -0.317 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.986 3.102 -0.526 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.990 3.954 0.637 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.494 3.445 -0.466 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.917 4.824 2.629 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.420 3.646 1.045 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.839 5.021 4.146 1.00 0.33 H new ATOM 0 HZ PHE A 72 -8.078 4.308 3.389 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.772 6.052 -1.766 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.614 6.100 -2.604 1.00 0.26 C ATOM 1133 C GLU A 73 0.608 6.328 -1.778 1.00 0.20 C ATOM 1134 O GLU A 73 0.661 7.190 -0.903 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.736 7.150 -3.700 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.039 8.559 -3.216 1.00 0.59 C ATOM 1137 CD GLU A 73 0.100 9.516 -3.507 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.290 9.886 -4.684 1.00 1.09 O ATOM 1139 OE2 GLU A 73 0.803 9.919 -2.555 1.00 1.32 O ATOM 0 H GLU A 73 -1.927 6.891 -1.207 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.529 5.135 -3.104 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.195 7.170 -4.267 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.523 6.843 -4.389 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.948 8.920 -3.697 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.232 8.540 -2.143 1.00 0.59 H new ATOM 1146 N LEU A 74 1.576 5.521 -2.067 1.00 0.21 N ATOM 1147 CA LEU A 74 2.807 5.537 -1.366 1.00 0.21 C ATOM 1148 C LEU A 74 3.790 6.314 -2.143 1.00 0.20 C ATOM 1149 O LEU A 74 3.988 6.102 -3.340 1.00 0.25 O ATOM 1150 CB LEU A 74 3.397 4.154 -1.184 1.00 0.27 C ATOM 1151 CG LEU A 74 2.503 3.119 -0.530 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.343 2.180 0.299 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.403 3.760 0.307 1.00 0.96 C ATOM 0 H LEU A 74 1.528 4.823 -2.809 1.00 0.21 H new ATOM 0 HA LEU A 74 2.603 5.969 -0.386 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.695 3.778 -2.163 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.305 4.246 -0.588 1.00 0.27 H new ATOM 0 HG LEU A 74 2.003 2.553 -1.316 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.700 1.436 0.769 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.069 1.680 -0.342 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.868 2.745 1.069 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.787 2.981 0.756 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.851 4.367 1.093 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.783 4.391 -0.329 1.00 0.96 H new ATOM 1165 N HIS A 75 4.417 7.174 -1.451 1.00 0.18 N ATOM 1166 CA HIS A 75 5.595 7.791 -1.960 1.00 0.19 C ATOM 1167 C HIS A 75 6.662 7.356 -1.025 1.00 0.19 C ATOM 1168 O HIS A 75 6.822 7.903 0.062 1.00 0.19 O ATOM 1169 CB HIS A 75 5.489 9.320 -2.018 1.00 0.23 C ATOM 1170 CG HIS A 75 4.517 9.840 -3.039 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.381 11.176 -3.333 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.615 9.198 -3.819 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.438 11.332 -4.243 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.952 10.147 -4.558 1.00 0.94 N ATOM 0 H HIS A 75 4.140 7.478 -0.518 1.00 0.18 H new ATOM 0 HA HIS A 75 5.788 7.497 -2.992 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.195 9.689 -1.035 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.475 9.732 -2.231 1.00 0.23 H new ATOM 0 HD2 HIS A 75 3.447 8.132 -3.854 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.117 12.275 -4.661 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.211 9.966 -5.235 1.00 0.94 H new ATOM 1183 N ILE A 76 7.364 6.340 -1.429 1.00 0.21 N ATOM 1184 CA ILE A 76 8.363 5.774 -0.589 1.00 0.23 C ATOM 1185 C ILE A 76 9.661 5.809 -1.318 1.00 0.25 C ATOM 1186 O ILE A 76 9.937 5.015 -2.191 1.00 0.28 O ATOM 1187 CB ILE A 76 8.045 4.334 -0.191 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.697 4.229 0.525 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.148 3.777 0.695 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.498 2.895 1.205 1.00 0.52 C ATOM 0 H ILE A 76 7.259 5.889 -2.338 1.00 0.21 H new ATOM 0 HA ILE A 76 8.406 6.359 0.330 1.00 0.23 H new ATOM 0 HB ILE A 76 7.984 3.746 -1.107 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.622 5.024 1.266 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.895 4.388 -0.196 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.909 2.750 0.971 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.094 3.796 0.154 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.233 4.385 1.596 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.525 2.878 1.696 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.544 2.098 0.463 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.282 2.745 1.948 1.00 0.52 H new ATOM 1202 N THR A 77 10.443 6.740 -0.968 1.00 0.24 N ATOM 1203 CA THR A 77 11.653 6.957 -1.624 1.00 0.26 C ATOM 1204 C THR A 77 12.780 6.470 -0.790 1.00 0.36 C ATOM 1205 O THR A 77 12.624 6.097 0.376 1.00 0.58 O ATOM 1206 CB THR A 77 11.861 8.436 -1.955 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.941 9.210 -0.753 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.721 8.935 -2.803 1.00 0.37 C ATOM 0 H THR A 77 10.255 7.386 -0.201 1.00 0.24 H new ATOM 0 HA THR A 77 11.622 6.402 -2.562 1.00 0.26 H new ATOM 0 HB THR A 77 12.796 8.542 -2.505 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.879 9.417 -0.559 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.875 9.989 -3.036 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.678 8.362 -3.729 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.784 8.816 -2.259 1.00 0.37 H new ATOM 1216 N ASP A 78 13.880 6.501 -1.447 1.00 0.30 N ATOM 1217 CA ASP A 78 15.163 6.128 -0.924 1.00 0.45 C ATOM 1218 C ASP A 78 15.069 4.913 -0.045 1.00 0.45 C ATOM 1219 O ASP A 78 15.244 4.955 1.175 1.00 0.70 O ATOM 1220 CB ASP A 78 15.751 7.251 -0.164 1.00 0.61 C ATOM 1221 CG ASP A 78 15.895 8.523 -0.979 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.945 9.332 -0.993 1.00 2.12 O ATOM 1223 OD2 ASP A 78 16.968 8.726 -1.598 1.00 1.97 O ATOM 0 H ASP A 78 13.923 6.803 -2.420 1.00 0.30 H new ATOM 0 HA ASP A 78 15.806 5.885 -1.770 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.128 7.455 0.707 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.732 6.954 0.208 1.00 0.61 H new ATOM 1228 N ALA A 79 14.756 3.850 -0.701 1.00 0.37 N ATOM 1229 CA ALA A 79 14.600 2.563 -0.067 1.00 0.34 C ATOM 1230 C ALA A 79 15.930 2.097 0.486 1.00 0.38 C ATOM 1231 O ALA A 79 16.890 1.913 -0.258 1.00 0.40 O ATOM 1232 CB ALA A 79 14.041 1.542 -1.045 1.00 0.34 C ATOM 0 H ALA A 79 14.596 3.837 -1.708 1.00 0.37 H new ATOM 0 HA ALA A 79 13.891 2.663 0.755 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.932 0.580 -0.544 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.067 1.877 -1.403 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.722 1.436 -1.890 1.00 0.34 H new ATOM 1238 N GLN A 80 15.989 1.962 1.793 1.00 0.47 N ATOM 1239 CA GLN A 80 17.160 1.432 2.450 1.00 0.55 C ATOM 1240 C GLN A 80 17.310 -0.049 2.086 1.00 0.43 C ATOM 1241 O GLN A 80 16.319 -0.709 1.794 1.00 0.43 O ATOM 1242 CB GLN A 80 17.032 1.661 3.963 1.00 0.74 C ATOM 1243 CG GLN A 80 17.192 0.408 4.811 1.00 0.78 C ATOM 1244 CD GLN A 80 17.899 0.679 6.117 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.272 0.989 7.126 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.216 0.565 6.100 1.00 1.43 N ATOM 0 H GLN A 80 15.230 2.215 2.426 1.00 0.47 H new ATOM 0 HA GLN A 80 18.064 1.943 2.118 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.781 2.390 4.271 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.056 2.101 4.169 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.209 -0.016 5.015 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.751 -0.339 4.247 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.694 0.305 5.237 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.754 0.737 6.949 1.00 1.43 H new ATOM 1255 N PRO A 81 18.539 -0.595 2.081 1.00 0.42 N ATOM 1256 CA PRO A 81 18.793 -1.962 1.603 1.00 0.44 C ATOM 1257 C PRO A 81 18.145 -3.021 2.486 1.00 0.54 C ATOM 1258 O PRO A 81 18.124 -4.200 2.148 1.00 1.33 O ATOM 1259 CB PRO A 81 20.317 -2.087 1.644 1.00 0.50 C ATOM 1260 CG PRO A 81 20.756 -1.074 2.642 1.00 0.57 C ATOM 1261 CD PRO A 81 19.776 0.060 2.540 1.00 0.49 C ATOM 0 HA PRO A 81 18.369 -2.125 0.612 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.624 -3.091 1.938 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.756 -1.894 0.665 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.763 -1.495 3.648 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.770 -0.733 2.432 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.635 0.556 3.500 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.113 0.820 1.835 1.00 0.49 H new ATOM 1269 N ALA A 82 17.614 -2.591 3.611 1.00 0.81 N ATOM 1270 CA ALA A 82 16.904 -3.480 4.504 1.00 0.88 C ATOM 1271 C ALA A 82 15.404 -3.236 4.409 1.00 0.77 C ATOM 1272 O ALA A 82 14.636 -3.685 5.262 1.00 0.91 O ATOM 1273 CB ALA A 82 17.393 -3.284 5.932 1.00 1.12 C ATOM 0 H ALA A 82 17.662 -1.623 3.930 1.00 0.81 H new ATOM 0 HA ALA A 82 17.101 -4.511 4.209 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.853 -3.958 6.597 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.460 -3.501 5.984 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.217 -2.253 6.239 1.00 1.12 H new ATOM 1279 N PHE A 83 14.977 -2.532 3.358 1.00 0.64 N ATOM 1280 CA PHE A 83 13.588 -2.186 3.210 1.00 0.68 C ATOM 1281 C PHE A 83 12.881 -3.161 2.291 1.00 0.76 C ATOM 1282 O PHE A 83 11.661 -3.058 2.139 1.00 1.24 O ATOM 1283 CB PHE A 83 13.462 -0.770 2.661 1.00 0.74 C ATOM 1284 CG PHE A 83 13.277 0.299 3.706 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.481 0.007 5.046 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.905 1.586 3.354 1.00 0.75 C ATOM 1287 CE1 PHE A 83 13.319 0.979 6.013 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.741 2.562 4.316 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.918 2.280 5.621 1.00 0.88 C ATOM 0 H PHE A 83 15.581 -2.198 2.607 1.00 0.64 H new ATOM 0 HA PHE A 83 13.116 -2.237 4.191 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.355 -0.540 2.080 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.617 -0.736 1.973 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.770 -0.992 5.337 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.741 1.829 2.314 1.00 0.75 H new ATOM 0 HE1 PHE A 83 13.496 0.751 7.054 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.468 3.564 4.019 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.755 3.044 6.367 1.00 0.88 H new ATOM 1299 N THR A 84 13.674 -4.070 1.681 1.00 0.55 N ATOM 1300 CA THR A 84 13.217 -5.108 0.781 1.00 0.58 C ATOM 1301 C THR A 84 11.779 -5.441 1.018 1.00 0.80 C ATOM 1302 O THR A 84 11.395 -6.187 1.909 1.00 1.22 O ATOM 1303 CB THR A 84 14.076 -6.359 0.893 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.460 -6.003 0.786 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.708 -7.355 -0.200 1.00 1.17 C ATOM 0 H THR A 84 14.685 -4.086 1.819 1.00 0.55 H new ATOM 0 HA THR A 84 13.314 -4.719 -0.232 1.00 0.58 H new ATOM 0 HB THR A 84 13.897 -6.826 1.862 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.012 -6.809 0.860 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.331 -8.244 -0.107 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.659 -7.634 -0.100 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.870 -6.900 -1.177 1.00 1.17 H new ATOM 1313 N GLY A 85 11.027 -4.779 0.214 1.00 0.87 N ATOM 1314 CA GLY A 85 9.628 -4.701 0.329 1.00 1.43 C ATOM 1315 C GLY A 85 8.933 -6.005 0.355 1.00 0.96 C ATOM 1316 O GLY A 85 9.032 -6.827 -0.537 1.00 1.29 O ATOM 0 H GLY A 85 11.396 -4.254 -0.579 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.383 -4.157 1.241 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.241 -4.116 -0.505 1.00 1.43 H new ATOM 1320 N GLY A 86 8.351 -6.207 1.464 1.00 0.52 N ATOM 1321 CA GLY A 86 7.176 -6.985 1.551 1.00 0.52 C ATOM 1322 C GLY A 86 6.071 -6.119 2.092 1.00 0.40 C ATOM 1323 O GLY A 86 5.675 -6.219 3.244 1.00 0.43 O ATOM 0 H GLY A 86 8.677 -5.834 2.355 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.906 -7.375 0.570 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.338 -7.844 2.202 1.00 0.52 H new ATOM 1327 N TYR A 87 5.677 -5.176 1.271 1.00 0.34 N ATOM 1328 CA TYR A 87 4.542 -4.321 1.548 1.00 0.28 C ATOM 1329 C TYR A 87 3.269 -5.139 1.346 1.00 0.30 C ATOM 1330 O TYR A 87 2.991 -5.592 0.234 1.00 0.39 O ATOM 1331 CB TYR A 87 4.520 -3.135 0.589 1.00 0.35 C ATOM 1332 CG TYR A 87 5.772 -2.298 0.603 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.934 -2.742 -0.007 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.793 -1.070 1.242 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.081 -1.978 0.024 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.933 -0.301 1.271 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.074 -0.755 0.590 1.00 0.54 C ATOM 1338 OH TYR A 87 9.218 0.007 0.694 1.00 0.63 O ATOM 0 H TYR A 87 6.138 -4.976 0.383 1.00 0.34 H new ATOM 0 HA TYR A 87 4.611 -3.947 2.569 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.357 -3.505 -0.423 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.670 -2.499 0.837 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.941 -3.697 -0.512 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.898 -0.709 1.727 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.993 -2.363 -0.409 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.950 0.636 1.808 1.00 0.54 H new ATOM 0 HH TYR A 87 9.157 0.773 0.086 1.00 0.63 H new ATOM 1348 N ARG A 88 2.510 -5.352 2.397 1.00 0.33 N ATOM 1349 CA ARG A 88 1.290 -6.128 2.289 1.00 0.36 C ATOM 1350 C ARG A 88 0.093 -5.217 2.435 1.00 0.36 C ATOM 1351 O ARG A 88 -0.140 -4.644 3.495 1.00 0.60 O ATOM 1352 CB ARG A 88 1.238 -7.206 3.365 1.00 0.42 C ATOM 1353 CG ARG A 88 2.301 -8.275 3.231 1.00 1.09 C ATOM 1354 CD ARG A 88 2.255 -9.217 4.418 1.00 1.23 C ATOM 1355 NE ARG A 88 0.889 -9.652 4.707 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.581 -10.715 5.438 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.536 -11.450 5.988 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -0.690 -11.025 5.641 1.00 3.15 N ATOM 0 H ARG A 88 2.712 -5.002 3.333 1.00 0.33 H new ATOM 0 HA ARG A 88 1.273 -6.608 1.311 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.337 -6.732 4.342 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.257 -7.681 3.339 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.149 -8.835 2.308 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.285 -7.812 3.164 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.880 -10.087 4.217 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.672 -8.720 5.294 1.00 1.23 H new ATOM 0 HE ARG A 88 0.122 -9.101 4.321 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.515 -11.200 5.851 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.292 -12.266 6.549 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.427 -10.447 5.236 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -0.932 -11.841 6.202 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.661 -5.069 1.377 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.830 -4.238 1.441 1.00 0.27 C ATOM 1374 C CYS A 89 -3.051 -5.105 1.572 1.00 0.25 C ATOM 1375 O CYS A 89 -3.433 -5.827 0.649 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.948 -3.355 0.222 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.814 -1.799 0.516 1.00 1.08 S ATOM 0 H CYS A 89 -0.488 -5.508 0.472 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.743 -3.588 2.312 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.948 -3.136 -0.152 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.468 -3.905 -0.562 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.949 -0.862 0.770 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.641 -5.034 2.728 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.810 -5.822 3.041 1.00 0.28 C ATOM 1385 C GLU A 90 -5.968 -4.913 3.406 1.00 0.26 C ATOM 1386 O GLU A 90 -5.950 -4.253 4.449 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.545 -6.788 4.201 1.00 0.35 C ATOM 1388 CG GLU A 90 -4.054 -8.171 3.780 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.541 -8.305 3.699 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -1.918 -8.644 4.733 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -1.978 -8.130 2.603 1.00 1.81 O ATOM 0 H GLU A 90 -3.329 -4.428 3.487 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.058 -6.406 2.155 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.805 -6.342 4.866 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.463 -6.903 4.777 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -4.434 -8.908 4.487 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -4.480 -8.413 2.807 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.965 -4.867 2.547 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.154 -4.086 2.819 1.00 0.22 C ATOM 1400 C VAL A 91 -9.262 -4.978 3.317 1.00 0.22 C ATOM 1401 O VAL A 91 -9.456 -6.089 2.828 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.652 -3.339 1.576 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.890 -4.325 0.449 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -9.916 -2.532 1.882 1.00 0.51 C ATOM 0 H VAL A 91 -6.976 -5.361 1.655 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.882 -3.353 3.579 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.886 -2.629 1.265 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.244 -3.791 -0.433 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.958 -4.839 0.212 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.639 -5.055 0.756 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.244 -2.014 0.981 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.704 -3.205 2.221 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.702 -1.802 2.662 1.00 0.51 H new ATOM 1414 N SER A 92 -9.993 -4.473 4.272 1.00 0.22 N ATOM 1415 CA SER A 92 -11.098 -5.194 4.841 1.00 0.25 C ATOM 1416 C SER A 92 -12.267 -4.244 4.981 1.00 0.26 C ATOM 1417 O SER A 92 -12.242 -3.307 5.777 1.00 0.30 O ATOM 1418 CB SER A 92 -10.705 -5.794 6.189 1.00 0.32 C ATOM 1419 OG SER A 92 -11.759 -6.570 6.746 1.00 1.18 O ATOM 0 H SER A 92 -9.840 -3.550 4.678 1.00 0.22 H new ATOM 0 HA SER A 92 -11.383 -6.021 4.191 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.820 -6.418 6.066 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.438 -4.994 6.880 1.00 0.32 H new ATOM 0 HG SER A 92 -11.473 -6.940 7.607 1.00 1.18 H new ATOM 1425 N THR A 93 -13.251 -4.454 4.148 1.00 0.28 N ATOM 1426 CA THR A 93 -14.448 -3.648 4.151 1.00 0.35 C ATOM 1427 C THR A 93 -15.620 -4.557 4.121 1.00 0.39 C ATOM 1428 O THR A 93 -15.558 -5.520 3.393 1.00 0.59 O ATOM 1429 CB THR A 93 -14.542 -2.800 2.912 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.231 -2.482 2.453 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.325 -1.542 3.182 1.00 0.57 C ATOM 0 H THR A 93 -13.247 -5.192 3.444 1.00 0.28 H new ATOM 0 HA THR A 93 -14.424 -3.012 5.036 1.00 0.35 H new ATOM 0 HB THR A 93 -15.067 -3.362 2.139 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.625 -2.410 3.219 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.380 -0.945 2.272 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.333 -1.803 3.506 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.830 -0.966 3.964 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.695 -4.168 4.802 1.00 0.43 N ATOM 1440 CA LYS A 94 -17.902 -4.993 5.010 1.00 0.43 C ATOM 1441 C LYS A 94 -17.618 -6.504 5.054 1.00 0.42 C ATOM 1442 O LYS A 94 -17.663 -7.136 6.108 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.014 -4.674 3.974 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.564 -4.111 2.613 1.00 0.47 C ATOM 1445 CD LYS A 94 -17.979 -5.150 1.669 1.00 0.50 C ATOM 1446 CE LYS A 94 -18.862 -6.378 1.499 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.281 -6.063 1.212 1.00 0.65 N ATOM 0 H LYS A 94 -16.761 -3.249 5.239 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.265 -4.716 6.000 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.579 -5.588 3.792 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.702 -3.959 4.425 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.418 -3.637 2.129 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.821 -3.332 2.783 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.815 -4.692 0.694 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.004 -5.462 2.043 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.465 -6.989 0.689 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.810 -6.979 2.407 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.849 -6.932 1.277 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.629 -5.369 1.904 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.362 -5.667 0.254 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.312 -7.039 3.893 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.098 -8.447 3.678 1.00 0.40 C ATOM 1463 C ASP A 95 -16.161 -8.677 2.488 1.00 0.37 C ATOM 1464 O ASP A 95 -15.845 -9.811 2.152 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.434 -9.112 3.424 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.391 -10.619 3.572 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -17.971 -11.089 4.645 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.794 -11.333 2.629 1.00 1.05 O ATOM 0 H ASP A 95 -17.202 -6.483 3.045 1.00 0.36 H new ATOM 0 HA ASP A 95 -16.631 -8.879 4.563 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.171 -8.707 4.117 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.771 -8.862 2.418 1.00 0.46 H new ATOM 1473 N LYS A 96 -15.723 -7.595 1.842 1.00 0.29 N ATOM 1474 CA LYS A 96 -14.773 -7.717 0.761 1.00 0.29 C ATOM 1475 C LYS A 96 -13.391 -7.680 1.338 1.00 0.27 C ATOM 1476 O LYS A 96 -13.029 -6.778 2.095 1.00 0.29 O ATOM 1477 CB LYS A 96 -14.864 -6.647 -0.350 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.050 -7.275 -1.698 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.853 -6.278 -2.805 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.424 -6.958 -4.085 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.156 -8.224 -4.318 1.00 1.29 N ATOM 0 H LYS A 96 -16.013 -6.640 2.053 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.015 -8.661 0.273 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.696 -5.974 -0.142 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -13.957 -6.042 -0.350 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -14.344 -8.097 -1.818 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.051 -7.702 -1.766 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.780 -5.731 -2.974 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.101 -5.547 -2.509 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.590 -6.284 -4.926 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.354 -7.161 -4.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.110 -8.471 -5.327 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.723 -8.984 -3.756 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.150 -8.108 -4.035 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.650 -8.677 0.993 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.285 -8.793 1.420 1.00 0.29 C ATOM 1497 C PHE A 97 -10.398 -9.084 0.240 1.00 0.32 C ATOM 1498 O PHE A 97 -10.506 -10.114 -0.429 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.158 -9.874 2.459 1.00 0.40 C ATOM 1500 CG PHE A 97 -9.836 -9.893 3.182 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.328 -8.742 3.760 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.099 -11.063 3.275 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.108 -8.758 4.412 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -7.882 -11.086 3.927 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.409 -9.926 4.539 1.00 0.74 C ATOM 0 H PHE A 97 -12.971 -9.444 0.402 1.00 0.28 H new ATOM 0 HA PHE A 97 -10.970 -7.849 1.865 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -11.956 -9.753 3.191 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.310 -10.841 1.979 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.890 -7.822 3.701 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.482 -11.970 2.831 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -7.706 -7.844 4.823 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.301 -11.996 3.963 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.494 -9.950 5.111 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.520 -8.163 0.016 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.581 -8.235 -1.085 1.00 0.43 C ATOM 1517 C ASP A 98 -7.209 -7.866 -0.574 1.00 0.36 C ATOM 1518 O ASP A 98 -7.071 -6.981 0.270 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.976 -7.311 -2.242 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.201 -7.777 -3.013 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.088 -8.762 -3.780 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.269 -7.140 -2.889 1.00 1.60 O ATOM 0 H ASP A 98 -9.423 -7.326 0.590 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.584 -9.253 -1.475 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.165 -6.312 -1.848 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.135 -7.228 -2.931 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.203 -8.550 -1.067 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.854 -8.348 -0.584 1.00 0.30 C ATOM 1529 C CYS A 99 -3.877 -8.288 -1.737 1.00 0.32 C ATOM 1530 O CYS A 99 -4.033 -8.987 -2.741 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.458 -9.481 0.360 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.761 -9.975 1.513 1.00 1.19 S ATOM 0 H CYS A 99 -6.291 -9.251 -1.802 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.824 -7.400 -0.046 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.165 -10.347 -0.233 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.581 -9.174 0.930 1.00 0.34 H new ATOM 0 HG CYS A 99 -5.329 -10.941 2.268 1.00 1.19 H new ATOM 1538 N SER A 100 -2.873 -7.450 -1.592 1.00 0.27 N ATOM 1539 CA SER A 100 -1.825 -7.354 -2.588 1.00 0.30 C ATOM 1540 C SER A 100 -0.459 -7.426 -1.931 1.00 0.31 C ATOM 1541 O SER A 100 -0.110 -6.589 -1.098 1.00 0.42 O ATOM 1542 CB SER A 100 -1.961 -6.062 -3.391 1.00 0.38 C ATOM 1543 OG SER A 100 -1.857 -4.925 -2.557 1.00 0.84 O ATOM 0 H SER A 100 -2.759 -6.825 -0.794 1.00 0.27 H new ATOM 0 HA SER A 100 -1.926 -8.197 -3.272 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.187 -6.025 -4.158 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.921 -6.051 -3.906 1.00 0.38 H new ATOM 0 HG SER A 100 -1.313 -5.144 -1.772 1.00 0.84 H new ATOM 1549 N ASN A 101 0.297 -8.439 -2.299 1.00 0.34 N ATOM 1550 CA ASN A 101 1.656 -8.586 -1.804 1.00 0.37 C ATOM 1551 C ASN A 101 2.636 -8.125 -2.868 1.00 0.42 C ATOM 1552 O ASN A 101 2.593 -8.579 -4.011 1.00 0.65 O ATOM 1553 CB ASN A 101 1.939 -10.032 -1.348 1.00 0.60 C ATOM 1554 CG ASN A 101 2.015 -11.084 -2.454 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.660 -12.113 -2.276 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.390 -10.848 -3.597 1.00 1.05 N ATOM 0 H ASN A 101 -0.003 -9.174 -2.939 1.00 0.34 H new ATOM 0 HA ASN A 101 1.781 -7.957 -0.923 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.882 -10.041 -0.801 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.160 -10.329 -0.645 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.438 -11.529 -4.355 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.860 -9.985 -3.720 1.00 1.05 H new ATOM 1563 N PHE A 102 3.479 -7.177 -2.524 1.00 0.31 N ATOM 1564 CA PHE A 102 4.394 -6.644 -3.496 1.00 0.38 C ATOM 1565 C PHE A 102 5.727 -6.341 -2.859 1.00 0.30 C ATOM 1566 O PHE A 102 5.816 -5.785 -1.758 1.00 0.37 O ATOM 1567 CB PHE A 102 3.807 -5.429 -4.205 1.00 0.57 C ATOM 1568 CG PHE A 102 3.176 -4.422 -3.306 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.902 -4.622 -2.819 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.848 -3.270 -2.968 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.309 -3.690 -2.006 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.259 -2.331 -2.158 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.988 -2.538 -1.674 1.00 0.86 C ATOM 0 H PHE A 102 3.547 -6.767 -1.592 1.00 0.31 H new ATOM 0 HA PHE A 102 4.561 -7.402 -4.261 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.598 -4.941 -4.774 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.062 -5.771 -4.923 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.365 -5.522 -3.080 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.847 -3.103 -3.343 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.312 -3.859 -1.627 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.794 -1.429 -1.900 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.524 -1.800 -1.036 1.00 0.86 H new ATOM 1583 N ASN A 103 6.753 -6.733 -3.561 1.00 0.24 N ATOM 1584 CA ASN A 103 8.085 -6.720 -3.056 1.00 0.25 C ATOM 1585 C ASN A 103 8.888 -5.586 -3.646 1.00 0.28 C ATOM 1586 O ASN A 103 8.938 -5.385 -4.852 1.00 0.49 O ATOM 1587 CB ASN A 103 8.771 -8.021 -3.417 1.00 0.33 C ATOM 1588 CG ASN A 103 7.908 -9.237 -3.198 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.943 -9.861 -2.138 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.125 -9.579 -4.192 1.00 1.25 N ATOM 0 H ASN A 103 6.679 -7.076 -4.519 1.00 0.24 H new ATOM 0 HA ASN A 103 8.030 -6.591 -1.975 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.074 -7.984 -4.463 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.681 -8.119 -2.825 1.00 0.33 H new ATOM 0 HD21 ASN A 103 6.513 -10.391 -4.104 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.127 -9.034 -5.054 1.00 1.25 H new ATOM 1597 N LEU A 104 9.552 -4.892 -2.782 1.00 0.23 N ATOM 1598 CA LEU A 104 10.501 -3.869 -3.199 1.00 0.24 C ATOM 1599 C LEU A 104 11.899 -4.431 -3.084 1.00 0.25 C ATOM 1600 O LEU A 104 12.423 -4.612 -1.991 1.00 0.37 O ATOM 1601 CB LEU A 104 10.390 -2.565 -2.390 1.00 0.27 C ATOM 1602 CG LEU A 104 11.697 -1.834 -2.163 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.755 -0.596 -3.034 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.917 -1.491 -0.696 1.00 0.30 C ATOM 0 H LEU A 104 9.466 -5.003 -1.772 1.00 0.23 H new ATOM 0 HA LEU A 104 10.267 -3.606 -4.231 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.702 -1.894 -2.905 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.947 -2.794 -1.421 1.00 0.27 H new ATOM 0 HG LEU A 104 12.509 -2.503 -2.448 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.698 -0.076 -2.865 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.683 -0.885 -4.082 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.926 0.065 -2.782 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.867 -0.968 -0.583 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.107 -0.851 -0.346 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.936 -2.408 -0.107 1.00 0.30 H new ATOM 1616 N THR A 105 12.498 -4.729 -4.199 1.00 0.23 N ATOM 1617 CA THR A 105 13.820 -5.284 -4.182 1.00 0.24 C ATOM 1618 C THR A 105 14.821 -4.148 -4.213 1.00 0.21 C ATOM 1619 O THR A 105 15.120 -3.595 -5.269 1.00 0.22 O ATOM 1620 CB THR A 105 14.063 -6.229 -5.364 1.00 0.28 C ATOM 1621 OG1 THR A 105 12.946 -7.118 -5.518 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.333 -7.038 -5.141 1.00 0.32 C ATOM 0 H THR A 105 12.096 -4.598 -5.127 1.00 0.23 H new ATOM 0 HA THR A 105 13.936 -5.873 -3.272 1.00 0.24 H new ATOM 0 HB THR A 105 14.177 -5.633 -6.269 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.107 -7.718 -6.276 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.493 -7.705 -5.988 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.183 -6.362 -5.045 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.234 -7.627 -4.229 1.00 0.32 H new ATOM 1630 N VAL A 106 15.291 -3.782 -3.040 1.00 0.23 N ATOM 1631 CA VAL A 106 16.224 -2.711 -2.902 1.00 0.23 C ATOM 1632 C VAL A 106 17.616 -3.240 -3.116 1.00 0.25 C ATOM 1633 O VAL A 106 18.142 -4.065 -2.370 1.00 0.28 O ATOM 1634 CB VAL A 106 16.114 -1.971 -1.549 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.211 -2.923 -0.380 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.155 -0.868 -1.461 1.00 0.33 C ATOM 0 H VAL A 106 15.030 -4.227 -2.160 1.00 0.23 H new ATOM 0 HA VAL A 106 15.985 -1.967 -3.662 1.00 0.23 H new ATOM 0 HB VAL A 106 15.127 -1.511 -1.497 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.129 -2.364 0.552 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.404 -3.653 -0.437 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.170 -3.440 -0.410 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.064 -0.357 -0.502 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.152 -1.301 -1.548 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.998 -0.154 -2.269 1.00 0.33 H new ATOM 1646 N HIS A 107 18.167 -2.768 -4.176 1.00 0.26 N ATOM 1647 CA HIS A 107 19.444 -3.212 -4.646 1.00 0.31 C ATOM 1648 C HIS A 107 20.529 -2.420 -3.982 1.00 0.34 C ATOM 1649 O HIS A 107 20.814 -1.275 -4.333 1.00 0.36 O ATOM 1650 CB HIS A 107 19.535 -3.112 -6.168 1.00 0.36 C ATOM 1651 CG HIS A 107 18.638 -4.087 -6.857 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.805 -5.446 -6.742 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.537 -3.908 -7.627 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.854 -6.063 -7.411 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.069 -5.158 -7.956 1.00 0.53 N ATOM 0 H HIS A 107 17.740 -2.047 -4.758 1.00 0.26 H new ATOM 0 HA HIS A 107 19.570 -4.263 -4.385 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.275 -2.100 -6.479 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.565 -3.286 -6.480 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.109 -2.963 -7.925 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.737 -7.133 -7.498 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.248 -5.352 -8.529 1.00 0.53 H new ATOM 1664 N GLU A 108 21.075 -3.046 -2.979 1.00 0.45 N ATOM 1665 CA GLU A 108 22.212 -2.526 -2.252 1.00 0.56 C ATOM 1666 C GLU A 108 23.452 -2.557 -3.128 1.00 0.71 C ATOM 1667 O GLU A 108 24.193 -1.575 -3.203 1.00 1.33 O ATOM 1668 CB GLU A 108 22.429 -3.345 -0.986 1.00 0.71 C ATOM 1669 CG GLU A 108 23.548 -2.834 -0.098 1.00 0.87 C ATOM 1670 CD GLU A 108 23.764 -3.729 1.100 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.984 -4.941 0.903 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.700 -3.228 2.244 1.00 1.66 O ATOM 0 H GLU A 108 20.742 -3.946 -2.633 1.00 0.45 H new ATOM 0 HA GLU A 108 22.017 -1.491 -1.972 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.502 -3.358 -0.412 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.645 -4.376 -1.266 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.470 -2.770 -0.675 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.313 -1.825 0.240 1.00 0.87 H new ATOM 1679 N ALA A 109 23.663 -3.696 -3.784 1.00 1.29 N ATOM 1680 CA ALA A 109 24.765 -3.866 -4.725 1.00 1.54 C ATOM 1681 C ALA A 109 26.113 -3.633 -4.049 1.00 2.12 C ATOM 1682 O ALA A 109 27.036 -3.087 -4.655 1.00 2.78 O ATOM 1683 CB ALA A 109 24.592 -2.937 -5.921 1.00 2.44 C ATOM 0 H ALA A 109 23.076 -4.524 -3.678 1.00 1.29 H new ATOM 0 HA ALA A 109 24.748 -4.896 -5.081 1.00 1.54 H new ATOM 0 HB1 ALA A 109 25.422 -3.076 -6.613 1.00 2.44 H new ATOM 0 HB2 ALA A 109 23.655 -3.167 -6.428 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.575 -1.902 -5.579 1.00 2.44 H new ATOM 1689 N MET A 110 26.227 -4.066 -2.797 1.00 2.77 N ATOM 1690 CA MET A 110 27.469 -3.925 -2.049 1.00 3.92 C ATOM 1691 C MET A 110 28.518 -4.888 -2.581 1.00 4.80 C ATOM 1692 O MET A 110 29.536 -4.417 -3.131 1.00 5.41 O ATOM 1693 CB MET A 110 27.243 -4.182 -0.556 1.00 4.52 C ATOM 1694 CG MET A 110 28.533 -4.202 0.250 1.00 5.33 C ATOM 1695 SD MET A 110 28.265 -4.623 1.983 1.00 6.12 S ATOM 1696 CE MET A 110 29.953 -4.638 2.588 1.00 6.92 C ATOM 1697 OXT MET A 110 28.309 -6.114 -2.461 1.00 5.23 O ATOM 0 H MET A 110 25.473 -4.518 -2.280 1.00 2.77 H new ATOM 0 HA MET A 110 27.822 -2.902 -2.176 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.584 -3.411 -0.157 1.00 4.52 H new ATOM 0 HB3 MET A 110 26.729 -5.135 -0.432 1.00 4.52 H new ATOM 0 HG2 MET A 110 29.222 -4.922 -0.192 1.00 5.33 H new ATOM 0 HG3 MET A 110 29.011 -3.224 0.188 1.00 5.33 H new ATOM 0 HE1 MET A 110 29.957 -4.884 3.650 1.00 6.92 H new ATOM 0 HE2 MET A 110 30.529 -5.384 2.041 1.00 6.92 H new ATOM 0 HE3 MET A 110 30.401 -3.655 2.441 1.00 6.92 H new TER 1707 MET A 110