USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1009 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 135 GLN : amide:sc= 0.773 K(o=2,f=-5.1) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -157:sc= 2.09 (180deg=0) USER MOD Set 1.3: A 139 GLN : amide:sc= -0.879 K(o=2,f=-13!) USER MOD Set 2.1: A 117 LYS NZ :NH3+ 149:sc= 0.137 (180deg=-0.62) USER MOD Set 2.2: A 119 THR OG1 : rot -160:sc= 0.249 USER MOD Set 3.1: A 112 CYS SG : rot 150:sc= -0.758 USER MOD Set 3.2: A 116 ASN : amide:sc= -0.723 X(o=-1.5,f=-1.3) USER MOD Set 4.1: A 102 MET CE :methyl -152:sc= -1.85 (180deg=-1.25) USER MOD Set 4.2: A 140 MET CE :methyl -146:sc= -0.295 (180deg=0) USER MOD Set 5.1: A 36 THR OG1 : rot -144:sc= 1.16 USER MOD Set 5.2: A 97 SER OG : rot 172:sc= 1.87 USER MOD Set 6.1: A 42 MET CE :methyl -131:sc= -1.79 (180deg=-0.993) USER MOD Set 6.2: A 95 TYR OH : rot -13:sc= 1.17 USER MOD Set 6.3: A 101 CYS SG : rot 69:sc= -1.05! USER MOD Set 7.1: A 87 LYS NZ :NH3+ 134:sc= 1.28 (180deg=1.14) USER MOD Set 7.2: A 88 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.1) USER MOD Set 8.1: A 81 MET CE :methyl 174:sc= -1.69 (180deg=-1.86!) USER MOD Set 8.2: A 85 THR OG1 : rot 60:sc= 0.0812 USER MOD Set 9.1: A 40 GLN : amide:sc= 0.232 X(o=1,f=1.1) USER MOD Set 9.2: A 43 GLN : amide:sc= 0.264 X(o=1,f=1.1) USER MOD Set 9.3: A 44 ASN : amide:sc= 0.534 X(o=1,f=1.1) USER MOD Set10.1: A 27 SER OG : rot 20:sc= 1.71 USER MOD Set10.2: A 92 ASN : amide:sc= 0.226 K(o=1.9,f=1.2) USER MOD Single : A 28 ASN : amide:sc= -2.16! C(o=-2.2!,f=-5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.14) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.17) USER MOD Single : A 38 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3.6!) USER MOD Single : A 41 TYR OH : rot -94:sc= 0.727 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 120:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-7.2!) USER MOD Single : A 54 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.61) USER MOD Single : A 60 TYR OH : rot -7:sc= 1.3 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.3) USER MOD Single : A 73 TYR OH : rot 120:sc= -1.98! USER MOD Single : A 74 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-2.9) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.074 K(o=0.074,f=-1.5) USER MOD Single : A 83 MET CE :methyl 161:sc= -2.02 (180deg=-3.25!) USER MOD Single : A 93 ASN : amide:sc= 0.495 K(o=0.49,f=-3.9!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.211 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 107 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -72:sc= -0.506! USER MOD Single : A 111 ASN : amide:sc= -0.0524 K(o=-0.052,f=-2.5!) USER MOD Single : A 113 TYR OH : rot -169:sc= 1.15 USER MOD Single : A 115 TYR OH : rot -12:sc= -0.18 USER MOD Single : A 125 MET CE :methyl 178:sc= -0.0025 (180deg=-0.02) USER MOD Single : A 127 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0386) USER MOD Single : A 142 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 6.392 -13.084 3.024 1.00 0.93 N ATOM 69 CA VAL A 26 6.582 -11.834 3.739 1.00 0.84 C ATOM 70 C VAL A 26 8.065 -11.655 4.049 1.00 0.83 C ATOM 71 O VAL A 26 8.521 -10.567 4.401 1.00 0.85 O ATOM 72 CB VAL A 26 5.744 -11.781 5.042 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.385 -12.605 6.150 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.540 -10.340 5.488 1.00 0.83 C ATOM 0 HA VAL A 26 6.236 -11.018 3.104 1.00 0.84 H new ATOM 0 HB VAL A 26 4.769 -12.219 4.830 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.771 -12.546 7.049 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.463 -13.645 5.832 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.380 -12.216 6.364 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.950 -10.323 6.404 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.509 -9.875 5.672 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.015 -9.788 4.708 1.00 0.83 H new ATOM 84 N SER A 27 8.811 -12.742 3.872 1.00 0.91 N ATOM 85 CA SER A 27 10.243 -12.778 4.129 1.00 1.00 C ATOM 86 C SER A 27 10.791 -14.122 3.672 1.00 1.07 C ATOM 87 O SER A 27 10.410 -15.167 4.201 1.00 1.19 O ATOM 88 CB SER A 27 10.535 -12.578 5.620 1.00 1.15 C ATOM 89 OG SER A 27 10.501 -11.205 5.976 1.00 1.61 O ATOM 0 H SER A 27 8.432 -13.630 3.543 1.00 0.91 H new ATOM 0 HA SER A 27 10.724 -11.970 3.578 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.803 -13.127 6.212 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.514 -12.993 5.859 1.00 1.15 H new ATOM 0 HG SER A 27 9.998 -10.704 5.300 1.00 1.61 H new ATOM 95 N ASN A 28 11.667 -14.099 2.686 1.00 1.07 N ATOM 96 CA ASN A 28 12.151 -15.330 2.090 1.00 1.18 C ATOM 97 C ASN A 28 13.636 -15.232 1.783 1.00 1.23 C ATOM 98 O ASN A 28 14.090 -14.244 1.218 1.00 1.12 O ATOM 99 CB ASN A 28 11.368 -15.633 0.813 1.00 1.19 C ATOM 100 CG ASN A 28 11.194 -17.118 0.568 1.00 1.39 C ATOM 101 OD1 ASN A 28 11.188 -17.919 1.502 1.00 1.60 O ATOM 102 ND2 ASN A 28 11.037 -17.493 -0.690 1.00 1.48 N ATOM 0 H ASN A 28 12.056 -13.247 2.282 1.00 1.07 H new ATOM 0 HA ASN A 28 12.002 -16.142 2.802 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.387 -15.162 0.874 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.883 -15.187 -0.038 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.905 -18.479 -0.916 1.00 1.48 H new ATOM 0 HD22 ASN A 28 11.048 -16.796 -1.435 1.00 1.48 H new ATOM 109 N PRO A 29 14.414 -16.256 2.161 1.00 1.46 N ATOM 110 CA PRO A 29 15.859 -16.316 1.875 1.00 1.60 C ATOM 111 C PRO A 29 16.140 -16.514 0.387 1.00 1.54 C ATOM 112 O PRO A 29 17.075 -15.935 -0.166 1.00 1.54 O ATOM 113 CB PRO A 29 16.304 -17.551 2.658 1.00 1.87 C ATOM 114 CG PRO A 29 15.090 -18.400 2.691 1.00 1.86 C ATOM 115 CD PRO A 29 13.958 -17.446 2.905 1.00 1.65 C ATOM 0 HA PRO A 29 16.377 -15.397 2.150 1.00 1.60 H new ATOM 0 HB2 PRO A 29 17.135 -18.059 2.168 1.00 1.87 H new ATOM 0 HB3 PRO A 29 16.638 -17.290 3.662 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.970 -18.953 1.760 1.00 1.86 H new ATOM 0 HG3 PRO A 29 15.144 -19.135 3.494 1.00 1.86 H new ATOM 0 HD2 PRO A 29 13.017 -17.835 2.515 1.00 1.65 H new ATOM 0 HD3 PRO A 29 13.800 -17.231 3.962 1.00 1.65 H new ATOM 123 N SER A 30 15.313 -17.341 -0.244 1.00 1.57 N ATOM 124 CA SER A 30 15.438 -17.654 -1.656 1.00 1.63 C ATOM 125 C SER A 30 15.032 -16.460 -2.506 1.00 1.47 C ATOM 126 O SER A 30 15.328 -16.388 -3.699 1.00 1.58 O ATOM 127 CB SER A 30 14.547 -18.847 -1.973 1.00 1.81 C ATOM 128 OG SER A 30 14.730 -19.881 -1.018 1.00 2.18 O ATOM 0 H SER A 30 14.534 -17.813 0.215 1.00 1.57 H new ATOM 0 HA SER A 30 16.477 -17.894 -1.884 1.00 1.63 H new ATOM 0 HB2 SER A 30 13.503 -18.535 -1.982 1.00 1.81 H new ATOM 0 HB3 SER A 30 14.776 -19.222 -2.970 1.00 1.81 H new ATOM 0 HG SER A 30 14.147 -20.637 -1.239 1.00 2.18 H new ATOM 134 N LYS A 31 14.330 -15.536 -1.882 1.00 1.28 N ATOM 135 CA LYS A 31 13.953 -14.295 -2.538 1.00 1.14 C ATOM 136 C LYS A 31 14.877 -13.177 -2.077 1.00 1.01 C ATOM 137 O LYS A 31 14.812 -12.758 -0.924 1.00 1.03 O ATOM 138 CB LYS A 31 12.498 -13.933 -2.224 1.00 1.14 C ATOM 139 CG LYS A 31 11.959 -12.776 -3.055 1.00 1.18 C ATOM 140 CD LYS A 31 12.032 -11.459 -2.296 1.00 1.26 C ATOM 141 CE LYS A 31 11.247 -10.362 -2.995 1.00 1.93 C ATOM 142 NZ LYS A 31 12.074 -9.626 -3.988 1.00 2.75 N ATOM 0 H LYS A 31 14.007 -15.619 -0.918 1.00 1.28 H new ATOM 0 HA LYS A 31 14.047 -14.427 -3.616 1.00 1.14 H new ATOM 0 HB2 LYS A 31 11.872 -14.810 -2.389 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.417 -13.678 -1.167 1.00 1.14 H new ATOM 0 HG2 LYS A 31 12.529 -12.695 -3.980 1.00 1.18 H new ATOM 0 HG3 LYS A 31 10.925 -12.979 -3.334 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.643 -11.598 -1.287 1.00 1.26 H new ATOM 0 HD3 LYS A 31 13.074 -11.154 -2.196 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.383 -10.799 -3.496 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.865 -9.662 -2.253 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.513 -8.855 -4.403 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 12.912 -9.230 -3.516 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.376 -10.278 -4.740 1.00 2.75 H new ATOM 156 N PRO A 32 15.753 -12.677 -2.955 1.00 0.99 N ATOM 157 CA PRO A 32 16.686 -11.620 -2.584 1.00 0.97 C ATOM 158 C PRO A 32 15.968 -10.334 -2.206 1.00 0.85 C ATOM 159 O PRO A 32 15.046 -9.882 -2.895 1.00 0.89 O ATOM 160 CB PRO A 32 17.538 -11.413 -3.832 1.00 1.14 C ATOM 161 CG PRO A 32 16.740 -11.985 -4.955 1.00 1.38 C ATOM 162 CD PRO A 32 15.907 -13.089 -4.360 1.00 1.13 C ATOM 0 HA PRO A 32 17.274 -11.893 -1.708 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.745 -10.355 -3.996 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.501 -11.915 -3.738 1.00 1.14 H new ATOM 0 HG2 PRO A 32 16.108 -11.223 -5.411 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.392 -12.369 -5.740 1.00 1.38 H new ATOM 0 HD2 PRO A 32 14.943 -13.180 -4.861 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.402 -14.056 -4.444 1.00 1.13 H new ATOM 170 N GLY A 33 16.401 -9.758 -1.107 1.00 0.83 N ATOM 171 CA GLY A 33 15.791 -8.558 -0.597 1.00 0.79 C ATOM 172 C GLY A 33 16.720 -7.842 0.346 1.00 0.76 C ATOM 173 O GLY A 33 16.620 -7.994 1.566 1.00 0.97 O ATOM 0 H GLY A 33 17.179 -10.107 -0.548 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.528 -7.899 -1.424 1.00 0.79 H new ATOM 0 HA3 GLY A 33 14.864 -8.808 -0.081 1.00 0.79 H new ATOM 177 N ARG A 34 17.655 -7.095 -0.223 1.00 0.81 N ATOM 178 CA ARG A 34 18.629 -6.359 0.563 1.00 0.79 C ATOM 179 C ARG A 34 17.971 -5.145 1.215 1.00 0.79 C ATOM 180 O ARG A 34 17.061 -5.281 2.032 1.00 0.97 O ATOM 181 CB ARG A 34 19.803 -5.916 -0.320 1.00 0.82 C ATOM 182 CG ARG A 34 20.704 -7.057 -0.772 1.00 1.24 C ATOM 183 CD ARG A 34 22.148 -6.827 -0.347 1.00 1.04 C ATOM 184 NE ARG A 34 22.687 -5.570 -0.883 1.00 0.98 N ATOM 185 CZ ARG A 34 23.295 -4.635 -0.145 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.456 -4.806 1.161 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.752 -3.529 -0.714 1.00 1.56 N ATOM 0 H ARG A 34 17.758 -6.984 -1.232 1.00 0.81 H new ATOM 0 HA ARG A 34 19.011 -7.014 1.346 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.410 -5.407 -1.200 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.402 -5.189 0.228 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.344 -7.996 -0.350 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.654 -7.155 -1.856 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.207 -6.812 0.741 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.763 -7.660 -0.688 1.00 1.04 H new ATOM 0 HE ARG A 34 22.591 -5.399 -1.884 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.115 -5.656 1.610 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.921 -4.087 1.716 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.641 -3.389 -1.718 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.215 -2.818 -0.148 1.00 1.56 H new ATOM 201 N LYS A 35 18.434 -3.965 0.843 1.00 0.80 N ATOM 202 CA LYS A 35 17.887 -2.725 1.349 1.00 0.82 C ATOM 203 C LYS A 35 18.544 -1.562 0.646 1.00 0.77 C ATOM 204 O LYS A 35 19.767 -1.503 0.553 1.00 0.93 O ATOM 205 CB LYS A 35 18.135 -2.607 2.849 1.00 0.87 C ATOM 206 CG LYS A 35 16.887 -2.282 3.651 1.00 1.42 C ATOM 207 CD LYS A 35 17.228 -1.617 4.974 1.00 1.71 C ATOM 208 CE LYS A 35 17.370 -2.635 6.089 1.00 1.85 C ATOM 209 NZ LYS A 35 16.874 -2.103 7.382 1.00 2.64 N ATOM 0 H LYS A 35 19.200 -3.842 0.181 1.00 0.80 H new ATOM 0 HA LYS A 35 16.813 -2.715 1.164 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.556 -3.544 3.213 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.881 -1.832 3.025 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.241 -1.625 3.069 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.325 -3.197 3.838 1.00 1.42 H new ATOM 0 HD2 LYS A 35 18.157 -1.056 4.872 1.00 1.71 H new ATOM 0 HD3 LYS A 35 16.450 -0.899 5.233 1.00 1.71 H new ATOM 0 HE2 LYS A 35 16.817 -3.538 5.830 1.00 1.85 H new ATOM 0 HE3 LYS A 35 18.417 -2.921 6.190 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 16.987 -2.826 8.121 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 17.419 -1.256 7.641 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 15.868 -1.854 7.292 1.00 2.64 H new ATOM 223 N THR A 36 17.746 -0.657 0.123 1.00 0.59 N ATOM 224 CA THR A 36 18.279 0.553 -0.455 1.00 0.54 C ATOM 225 C THR A 36 17.742 1.767 0.298 1.00 0.46 C ATOM 226 O THR A 36 16.724 1.673 0.991 1.00 0.46 O ATOM 227 CB THR A 36 17.942 0.678 -1.957 1.00 0.56 C ATOM 228 OG1 THR A 36 16.612 1.190 -2.130 1.00 0.54 O ATOM 229 CG2 THR A 36 18.065 -0.662 -2.670 1.00 0.68 C ATOM 0 H THR A 36 16.730 -0.737 0.087 1.00 0.59 H new ATOM 0 HA THR A 36 19.364 0.509 -0.364 1.00 0.54 H new ATOM 0 HB THR A 36 18.660 1.370 -2.397 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.195 0.761 -2.906 1.00 0.54 H new ATOM 0 HG21 THR A 36 17.821 -0.537 -3.725 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.086 -1.032 -2.575 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.377 -1.378 -2.221 1.00 0.68 H new ATOM 237 N ASN A 37 18.433 2.896 0.175 1.00 0.42 N ATOM 238 CA ASN A 37 18.004 4.137 0.812 1.00 0.40 C ATOM 239 C ASN A 37 16.605 4.506 0.347 1.00 0.33 C ATOM 240 O ASN A 37 15.799 4.998 1.122 1.00 0.33 O ATOM 241 CB ASN A 37 18.981 5.271 0.488 1.00 0.48 C ATOM 242 CG ASN A 37 18.609 6.584 1.162 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.236 6.613 2.335 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.714 7.681 0.420 1.00 0.78 N ATOM 0 H ASN A 37 19.296 2.977 -0.362 1.00 0.42 H new ATOM 0 HA ASN A 37 17.991 3.987 1.891 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.984 4.980 0.800 1.00 0.48 H new ATOM 0 HB3 ASN A 37 19.013 5.419 -0.591 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.482 8.591 0.819 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.027 7.614 -0.548 1.00 0.78 H new ATOM 251 N GLN A 38 16.329 4.232 -0.925 1.00 0.33 N ATOM 252 CA GLN A 38 15.021 4.489 -1.524 1.00 0.31 C ATOM 253 C GLN A 38 13.917 3.765 -0.755 1.00 0.26 C ATOM 254 O GLN A 38 12.864 4.339 -0.472 1.00 0.25 O ATOM 255 CB GLN A 38 15.024 4.029 -2.985 1.00 0.36 C ATOM 256 CG GLN A 38 13.850 4.545 -3.800 1.00 0.46 C ATOM 257 CD GLN A 38 14.176 5.836 -4.520 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.950 6.920 -3.998 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.718 5.730 -5.724 1.00 0.55 N ATOM 0 H GLN A 38 17.006 3.825 -1.571 1.00 0.33 H new ATOM 0 HA GLN A 38 14.824 5.560 -1.478 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.951 4.356 -3.456 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.020 2.939 -3.012 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.556 3.789 -4.528 1.00 0.46 H new ATOM 0 HG3 GLN A 38 12.995 4.704 -3.142 1.00 0.46 H new ATOM 0 HE21 GLN A 38 14.891 4.809 -6.126 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.962 6.570 -6.249 1.00 0.55 H new ATOM 268 N LEU A 39 14.174 2.507 -0.410 1.00 0.28 N ATOM 269 CA LEU A 39 13.197 1.694 0.310 1.00 0.31 C ATOM 270 C LEU A 39 12.909 2.284 1.683 1.00 0.29 C ATOM 271 O LEU A 39 11.758 2.570 2.019 1.00 0.30 O ATOM 272 CB LEU A 39 13.699 0.258 0.462 1.00 0.38 C ATOM 273 CG LEU A 39 12.851 -0.632 1.374 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.187 -1.736 0.572 1.00 0.63 C ATOM 275 CD2 LEU A 39 13.698 -1.226 2.487 1.00 0.80 C ATOM 0 H LEU A 39 15.050 2.028 -0.617 1.00 0.28 H new ATOM 0 HA LEU A 39 12.275 1.688 -0.271 1.00 0.31 H new ATOM 0 HB2 LEU A 39 13.746 -0.201 -0.526 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.717 0.284 0.850 1.00 0.38 H new ATOM 0 HG LEU A 39 12.075 -0.014 1.825 1.00 0.45 H new ATOM 0 HD11 LEU A 39 11.588 -2.359 1.237 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.544 -1.296 -0.190 1.00 0.63 H new ATOM 0 HD13 LEU A 39 12.951 -2.348 0.092 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.075 -1.855 3.123 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.498 -1.827 2.054 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.130 -0.423 3.084 1.00 0.80 H new ATOM 287 N GLN A 40 13.964 2.471 2.465 1.00 0.29 N ATOM 288 CA GLN A 40 13.831 3.009 3.813 1.00 0.30 C ATOM 289 C GLN A 40 13.272 4.421 3.770 1.00 0.26 C ATOM 290 O GLN A 40 12.520 4.831 4.659 1.00 0.28 O ATOM 291 CB GLN A 40 15.178 2.995 4.529 1.00 0.36 C ATOM 292 CG GLN A 40 15.463 1.687 5.246 1.00 0.42 C ATOM 293 CD GLN A 40 15.922 1.894 6.674 1.00 0.72 C ATOM 294 OE1 GLN A 40 17.080 2.228 6.918 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.021 1.695 7.623 1.00 0.83 N ATOM 0 H GLN A 40 14.923 2.258 2.189 1.00 0.29 H new ATOM 0 HA GLN A 40 13.136 2.378 4.367 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.969 3.184 3.804 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.206 3.811 5.251 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.563 1.072 5.243 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.228 1.136 4.699 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.071 1.418 7.375 1.00 0.83 H new ATOM 0 HE22 GLN A 40 15.277 1.818 8.603 1.00 0.83 H new ATOM 304 N TYR A 41 13.638 5.160 2.729 1.00 0.25 N ATOM 305 CA TYR A 41 13.122 6.490 2.512 1.00 0.24 C ATOM 306 C TYR A 41 11.606 6.461 2.420 1.00 0.22 C ATOM 307 O TYR A 41 10.921 7.017 3.266 1.00 0.23 O ATOM 308 CB TYR A 41 13.702 7.078 1.226 1.00 0.24 C ATOM 309 CG TYR A 41 13.375 8.530 1.040 1.00 0.31 C ATOM 310 CD1 TYR A 41 12.159 8.913 0.500 1.00 0.32 C ATOM 311 CD2 TYR A 41 14.269 9.513 1.422 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.836 10.240 0.345 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.961 10.847 1.269 1.00 0.52 C ATOM 314 CZ TYR A 41 12.743 11.209 0.731 1.00 0.53 C ATOM 315 OH TYR A 41 12.432 12.540 0.585 1.00 0.64 O ATOM 0 H TYR A 41 14.299 4.848 2.018 1.00 0.25 H new ATOM 0 HA TYR A 41 13.415 7.114 3.356 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.785 6.954 1.234 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.323 6.515 0.373 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.452 8.156 0.195 1.00 0.32 H new ATOM 0 HD2 TYR A 41 15.222 9.231 1.846 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.882 10.523 -0.075 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.669 11.605 1.569 1.00 0.52 H new ATOM 0 HH TYR A 41 12.788 12.868 -0.267 1.00 0.64 H new ATOM 325 N MET A 42 11.090 5.778 1.409 1.00 0.20 N ATOM 326 CA MET A 42 9.662 5.749 1.155 1.00 0.20 C ATOM 327 C MET A 42 8.917 5.173 2.354 1.00 0.21 C ATOM 328 O MET A 42 7.779 5.550 2.629 1.00 0.22 O ATOM 329 CB MET A 42 9.378 4.922 -0.104 1.00 0.23 C ATOM 330 CG MET A 42 7.902 4.783 -0.432 1.00 0.80 C ATOM 331 SD MET A 42 7.498 3.181 -1.144 1.00 1.07 S ATOM 332 CE MET A 42 7.367 2.197 0.343 1.00 1.13 C ATOM 0 H MET A 42 11.645 5.234 0.749 1.00 0.20 H new ATOM 0 HA MET A 42 9.309 6.768 0.996 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.886 5.383 -0.951 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.807 3.928 0.022 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.317 4.931 0.476 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.613 5.569 -1.129 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.951 1.284 0.228 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.748 2.766 1.191 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.322 1.940 0.518 1.00 1.13 H new ATOM 342 N GLN A 43 9.582 4.273 3.065 1.00 0.24 N ATOM 343 CA GLN A 43 9.023 3.658 4.260 1.00 0.30 C ATOM 344 C GLN A 43 8.732 4.710 5.338 1.00 0.30 C ATOM 345 O GLN A 43 7.601 4.836 5.805 1.00 0.33 O ATOM 346 CB GLN A 43 9.989 2.581 4.778 1.00 0.42 C ATOM 347 CG GLN A 43 9.932 2.331 6.277 1.00 0.84 C ATOM 348 CD GLN A 43 11.055 1.427 6.734 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.980 1.855 7.426 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.992 0.171 6.336 1.00 0.54 N ATOM 0 H GLN A 43 10.521 3.950 2.831 1.00 0.24 H new ATOM 0 HA GLN A 43 8.073 3.188 4.007 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.777 1.645 4.261 1.00 0.42 H new ATOM 0 HB3 GLN A 43 11.006 2.869 4.512 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.991 3.281 6.807 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.974 1.880 6.535 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.209 -0.144 5.764 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.727 -0.485 6.601 1.00 0.54 H new ATOM 359 N ASN A 44 9.744 5.478 5.718 1.00 0.30 N ATOM 360 CA ASN A 44 9.581 6.463 6.788 1.00 0.33 C ATOM 361 C ASN A 44 9.038 7.788 6.269 1.00 0.31 C ATOM 362 O ASN A 44 8.411 8.545 7.012 1.00 0.34 O ATOM 363 CB ASN A 44 10.909 6.704 7.514 1.00 0.37 C ATOM 364 CG ASN A 44 11.430 5.460 8.203 1.00 0.42 C ATOM 365 OD1 ASN A 44 11.001 5.116 9.305 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.365 4.779 7.560 1.00 0.47 N ATOM 0 H ASN A 44 10.678 5.442 5.309 1.00 0.30 H new ATOM 0 HA ASN A 44 8.855 6.049 7.487 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.652 7.056 6.798 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.777 7.495 8.252 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.758 3.935 7.976 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.693 5.099 6.648 1.00 0.47 H new ATOM 373 N VAL A 45 9.304 8.086 5.015 1.00 0.27 N ATOM 374 CA VAL A 45 8.891 9.351 4.430 1.00 0.27 C ATOM 375 C VAL A 45 7.496 9.276 3.812 1.00 0.24 C ATOM 376 O VAL A 45 6.594 10.014 4.205 1.00 0.28 O ATOM 377 CB VAL A 45 9.893 9.808 3.354 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.420 11.074 2.667 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.268 10.004 3.963 1.00 0.30 C ATOM 0 H VAL A 45 9.806 7.469 4.376 1.00 0.27 H new ATOM 0 HA VAL A 45 8.866 10.075 5.245 1.00 0.27 H new ATOM 0 HB VAL A 45 9.959 9.027 2.597 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.148 11.372 1.913 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.457 10.891 2.190 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.314 11.870 3.404 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.966 10.327 3.190 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.215 10.762 4.744 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.613 9.064 4.393 1.00 0.30 H new ATOM 389 N VAL A 46 7.314 8.365 2.866 1.00 0.19 N ATOM 390 CA VAL A 46 6.100 8.350 2.060 1.00 0.19 C ATOM 391 C VAL A 46 4.942 7.648 2.774 1.00 0.19 C ATOM 392 O VAL A 46 3.961 8.295 3.146 1.00 0.19 O ATOM 393 CB VAL A 46 6.337 7.688 0.683 1.00 0.20 C ATOM 394 CG1 VAL A 46 5.074 7.747 -0.168 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.496 8.355 -0.042 1.00 0.22 C ATOM 0 H VAL A 46 7.985 7.632 2.638 1.00 0.19 H new ATOM 0 HA VAL A 46 5.826 9.394 1.907 1.00 0.19 H new ATOM 0 HB VAL A 46 6.591 6.641 0.850 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.263 7.276 -1.133 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.267 7.220 0.341 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.788 8.787 -0.322 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.646 7.874 -1.009 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.271 9.411 -0.193 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.403 8.259 0.555 1.00 0.22 H new ATOM 405 N VAL A 47 5.063 6.337 2.988 1.00 0.20 N ATOM 406 CA VAL A 47 3.949 5.563 3.552 1.00 0.23 C ATOM 407 C VAL A 47 3.650 5.989 4.987 1.00 0.23 C ATOM 408 O VAL A 47 2.489 6.056 5.385 1.00 0.25 O ATOM 409 CB VAL A 47 4.181 4.024 3.488 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.621 3.668 3.785 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.244 3.274 4.427 1.00 0.83 C ATOM 0 H VAL A 47 5.903 5.795 2.785 1.00 0.20 H new ATOM 0 HA VAL A 47 3.085 5.784 2.926 1.00 0.23 H new ATOM 0 HB VAL A 47 3.956 3.713 2.468 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.747 2.587 3.732 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.272 4.146 3.053 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.883 4.015 4.785 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.436 2.204 4.354 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.415 3.604 5.452 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.210 3.477 4.148 1.00 0.83 H new ATOM 421 N LYS A 48 4.694 6.303 5.750 1.00 0.26 N ATOM 422 CA LYS A 48 4.521 6.750 7.128 1.00 0.30 C ATOM 423 C LYS A 48 3.614 7.978 7.200 1.00 0.28 C ATOM 424 O LYS A 48 2.775 8.083 8.091 1.00 0.33 O ATOM 425 CB LYS A 48 5.877 7.062 7.759 1.00 0.36 C ATOM 426 CG LYS A 48 5.975 6.681 9.229 1.00 0.53 C ATOM 427 CD LYS A 48 6.249 7.894 10.104 1.00 1.25 C ATOM 428 CE LYS A 48 7.738 8.178 10.222 1.00 1.79 C ATOM 429 NZ LYS A 48 8.007 9.434 10.971 1.00 2.40 N ATOM 0 H LYS A 48 5.664 6.256 5.439 1.00 0.26 H new ATOM 0 HA LYS A 48 4.046 5.943 7.686 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.654 6.536 7.205 1.00 0.36 H new ATOM 0 HB3 LYS A 48 6.078 8.128 7.656 1.00 0.36 H new ATOM 0 HG2 LYS A 48 5.046 6.206 9.545 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.770 5.948 9.363 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.744 8.765 9.686 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.830 7.729 11.097 1.00 1.25 H new ATOM 0 HE2 LYS A 48 8.228 7.344 10.725 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.174 8.250 9.225 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 9.034 9.591 11.029 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.562 10.234 10.478 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.614 9.357 11.931 1.00 2.40 H new ATOM 443 N THR A 49 3.773 8.897 6.253 1.00 0.23 N ATOM 444 CA THR A 49 2.962 10.107 6.234 1.00 0.24 C ATOM 445 C THR A 49 1.559 9.823 5.694 1.00 0.22 C ATOM 446 O THR A 49 0.578 10.398 6.168 1.00 0.24 O ATOM 447 CB THR A 49 3.638 11.223 5.412 1.00 0.28 C ATOM 448 OG1 THR A 49 5.015 11.336 5.802 1.00 0.55 O ATOM 449 CG2 THR A 49 2.943 12.559 5.629 1.00 0.52 C ATOM 0 H THR A 49 4.451 8.827 5.494 1.00 0.23 H new ATOM 0 HA THR A 49 2.870 10.452 7.264 1.00 0.24 H new ATOM 0 HB THR A 49 3.567 10.963 4.356 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.590 11.161 5.028 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.440 13.328 5.038 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.901 12.481 5.320 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.990 12.826 6.685 1.00 0.52 H new ATOM 457 N LEU A 50 1.461 8.921 4.719 1.00 0.20 N ATOM 458 CA LEU A 50 0.161 8.495 4.205 1.00 0.21 C ATOM 459 C LEU A 50 -0.640 7.830 5.325 1.00 0.20 C ATOM 460 O LEU A 50 -1.847 8.031 5.453 1.00 0.21 O ATOM 461 CB LEU A 50 0.335 7.515 3.029 1.00 0.24 C ATOM 462 CG LEU A 50 -0.597 7.725 1.819 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.064 6.387 1.265 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.798 8.585 2.187 1.00 0.29 C ATOM 0 H LEU A 50 2.261 8.473 4.272 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.377 9.371 3.844 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.366 7.578 2.681 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.186 6.502 3.403 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.027 8.248 1.051 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.721 6.556 0.412 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.200 5.803 0.948 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.606 5.842 2.038 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.435 8.714 1.312 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.365 8.098 2.980 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.455 9.560 2.533 1.00 0.29 H new ATOM 476 N TRP A 51 0.059 7.055 6.147 1.00 0.22 N ATOM 477 CA TRP A 51 -0.541 6.381 7.292 1.00 0.24 C ATOM 478 C TRP A 51 -1.089 7.387 8.301 1.00 0.26 C ATOM 479 O TRP A 51 -2.054 7.110 9.010 1.00 0.29 O ATOM 480 CB TRP A 51 0.500 5.484 7.970 1.00 0.27 C ATOM 481 CG TRP A 51 -0.089 4.497 8.929 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.364 4.706 10.250 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.473 3.148 8.646 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.905 3.574 10.804 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.981 2.601 9.841 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.440 2.350 7.499 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.454 1.292 9.915 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.906 1.053 7.577 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.410 0.535 8.777 1.00 0.39 C ATOM 0 H TRP A 51 1.057 6.877 6.038 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.371 5.773 6.931 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.056 4.945 7.203 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.216 6.111 8.502 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.182 5.628 10.781 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.202 3.473 11.774 1.00 0.32 H new ATOM 0 HE3 TRP A 51 -0.057 2.741 6.568 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.842 0.889 10.839 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.882 0.427 6.698 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.771 -0.483 8.804 1.00 0.39 H new ATOM 500 N LYS A 52 -0.477 8.556 8.358 1.00 0.27 N ATOM 501 CA LYS A 52 -0.848 9.557 9.350 1.00 0.29 C ATOM 502 C LYS A 52 -2.062 10.370 8.913 1.00 0.30 C ATOM 503 O LYS A 52 -2.576 11.187 9.679 1.00 0.45 O ATOM 504 CB LYS A 52 0.327 10.479 9.635 1.00 0.33 C ATOM 505 CG LYS A 52 1.482 9.777 10.328 1.00 0.48 C ATOM 506 CD LYS A 52 2.341 10.759 11.100 1.00 1.13 C ATOM 507 CE LYS A 52 1.777 11.025 12.484 1.00 1.74 C ATOM 508 NZ LYS A 52 2.152 12.372 12.982 1.00 2.24 N ATOM 0 H LYS A 52 0.278 8.838 7.732 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.119 9.027 10.263 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.680 10.908 8.697 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.012 11.308 10.256 1.00 0.33 H new ATOM 0 HG2 LYS A 52 1.094 9.018 11.007 1.00 0.48 H new ATOM 0 HG3 LYS A 52 2.093 9.260 9.588 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.354 10.366 11.188 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.409 11.696 10.548 1.00 1.13 H new ATOM 0 HE2 LYS A 52 0.691 10.937 12.457 1.00 1.74 H new ATOM 0 HE3 LYS A 52 2.141 10.267 13.177 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 1.748 12.517 13.930 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 3.188 12.448 13.032 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.783 13.097 12.334 1.00 2.24 H new ATOM 522 N HIS A 53 -2.523 10.145 7.691 1.00 0.25 N ATOM 523 CA HIS A 53 -3.710 10.829 7.201 1.00 0.26 C ATOM 524 C HIS A 53 -4.955 10.234 7.840 1.00 0.31 C ATOM 525 O HIS A 53 -5.168 9.021 7.806 1.00 0.35 O ATOM 526 CB HIS A 53 -3.807 10.731 5.681 1.00 0.24 C ATOM 527 CG HIS A 53 -4.590 11.847 5.058 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.782 11.612 4.428 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.301 13.168 4.973 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.191 12.780 3.971 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.327 13.755 4.279 1.00 0.39 N ATOM 0 H HIS A 53 -2.097 9.500 7.026 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.634 11.882 7.473 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.801 10.725 5.260 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.270 9.781 5.415 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.430 13.663 5.375 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.107 12.930 3.418 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.415 14.743 4.043 1.00 0.39 H new ATOM 539 N GLN A 54 -5.786 11.090 8.409 1.00 0.42 N ATOM 540 CA GLN A 54 -6.973 10.644 9.127 1.00 0.54 C ATOM 541 C GLN A 54 -8.132 10.367 8.172 1.00 0.42 C ATOM 542 O GLN A 54 -9.287 10.280 8.587 1.00 0.47 O ATOM 543 CB GLN A 54 -7.382 11.678 10.178 1.00 0.79 C ATOM 544 CG GLN A 54 -6.502 11.666 11.422 1.00 1.09 C ATOM 545 CD GLN A 54 -5.984 10.283 11.765 1.00 1.24 C ATOM 546 OE1 GLN A 54 -6.722 9.439 12.274 1.00 1.91 O ATOM 547 NE2 GLN A 54 -4.715 10.037 11.482 1.00 1.21 N ATOM 0 H GLN A 54 -5.662 12.102 8.389 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.726 9.709 9.630 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.350 12.671 9.730 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.415 11.495 10.473 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.657 12.337 11.270 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.070 12.055 12.267 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -4.136 10.764 11.060 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.315 9.121 11.686 1.00 1.21 H new ATOM 556 N PHE A 55 -7.814 10.251 6.890 1.00 0.36 N ATOM 557 CA PHE A 55 -8.775 9.806 5.892 1.00 0.31 C ATOM 558 C PHE A 55 -8.356 8.437 5.369 1.00 0.27 C ATOM 559 O PHE A 55 -9.089 7.784 4.633 1.00 0.29 O ATOM 560 CB PHE A 55 -8.862 10.808 4.739 1.00 0.36 C ATOM 561 CG PHE A 55 -10.147 11.590 4.695 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.800 11.930 5.867 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.701 11.979 3.486 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.982 12.645 5.837 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.882 12.693 3.449 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.516 13.039 4.601 1.00 0.86 C ATOM 0 H PHE A 55 -6.889 10.461 6.515 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.760 9.736 6.353 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.028 11.506 4.815 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.744 10.272 3.797 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.380 11.633 6.817 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.204 11.721 2.563 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.490 12.898 6.756 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.306 12.979 2.498 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.428 13.616 4.565 1.00 0.86 H new ATOM 576 N ALA A 56 -7.169 8.002 5.782 1.00 0.25 N ATOM 577 CA ALA A 56 -6.631 6.713 5.366 1.00 0.25 C ATOM 578 C ALA A 56 -6.922 5.650 6.416 1.00 0.26 C ATOM 579 O ALA A 56 -6.404 4.535 6.357 1.00 0.28 O ATOM 580 CB ALA A 56 -5.133 6.824 5.128 1.00 0.28 C ATOM 0 H ALA A 56 -6.559 8.528 6.408 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.114 6.418 4.434 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.741 5.855 4.818 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.942 7.560 4.347 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.640 7.136 6.049 1.00 0.28 H new ATOM 586 N TRP A 57 -7.782 6.000 7.363 1.00 0.30 N ATOM 587 CA TRP A 57 -8.090 5.123 8.490 1.00 0.34 C ATOM 588 C TRP A 57 -8.760 3.792 8.081 1.00 0.35 C ATOM 589 O TRP A 57 -8.518 2.777 8.737 1.00 0.40 O ATOM 590 CB TRP A 57 -8.923 5.855 9.559 1.00 0.37 C ATOM 591 CG TRP A 57 -10.243 6.390 9.090 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.461 7.535 8.383 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.532 5.808 9.318 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.803 7.704 8.162 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.483 6.655 8.722 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.974 4.651 9.966 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.846 6.385 8.757 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.330 4.382 9.999 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.252 5.247 9.397 1.00 0.58 C ATOM 0 H TRP A 57 -8.282 6.889 7.375 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.126 4.853 8.922 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.101 5.170 10.388 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.333 6.683 9.951 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.689 8.211 8.046 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.227 8.485 7.661 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.269 3.979 10.433 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.560 7.051 8.295 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.683 3.491 10.497 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.305 5.011 9.439 1.00 0.58 H new ATOM 610 N PRO A 58 -9.600 3.732 7.018 1.00 0.34 N ATOM 611 CA PRO A 58 -10.191 2.461 6.580 1.00 0.40 C ATOM 612 C PRO A 58 -9.168 1.568 5.885 1.00 0.36 C ATOM 613 O PRO A 58 -9.397 0.377 5.690 1.00 0.45 O ATOM 614 CB PRO A 58 -11.294 2.878 5.597 1.00 0.47 C ATOM 615 CG PRO A 58 -11.423 4.355 5.734 1.00 0.40 C ATOM 616 CD PRO A 58 -10.080 4.843 6.177 1.00 0.32 C ATOM 0 HA PRO A 58 -10.565 1.879 7.422 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.032 2.602 4.576 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.235 2.380 5.831 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.712 4.812 4.787 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.193 4.614 6.461 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.417 5.029 5.332 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.151 5.775 6.737 1.00 0.32 H new ATOM 624 N PHE A 59 -8.031 2.153 5.531 1.00 0.31 N ATOM 625 CA PHE A 59 -6.979 1.431 4.832 1.00 0.31 C ATOM 626 C PHE A 59 -5.942 0.897 5.821 1.00 0.31 C ATOM 627 O PHE A 59 -4.980 0.243 5.431 1.00 0.52 O ATOM 628 CB PHE A 59 -6.308 2.353 3.814 1.00 0.36 C ATOM 629 CG PHE A 59 -6.759 2.133 2.397 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.455 0.953 1.737 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.491 3.100 1.730 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.873 0.742 0.437 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.911 2.895 0.429 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.586 1.736 -0.226 1.00 0.95 C ATOM 0 H PHE A 59 -7.814 3.132 5.719 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.424 0.583 4.311 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.507 3.388 4.091 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.229 2.211 3.867 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.885 0.189 2.245 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.737 4.025 2.231 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.648 -0.189 -0.062 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.497 3.651 -0.073 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.883 1.594 -1.255 1.00 0.95 H new ATOM 644 N TYR A 60 -6.155 1.186 7.104 1.00 0.35 N ATOM 645 CA TYR A 60 -5.243 0.745 8.162 1.00 0.39 C ATOM 646 C TYR A 60 -5.265 -0.769 8.304 1.00 0.45 C ATOM 647 O TYR A 60 -4.252 -1.390 8.624 1.00 0.63 O ATOM 648 CB TYR A 60 -5.638 1.358 9.509 1.00 0.46 C ATOM 649 CG TYR A 60 -5.276 2.818 9.688 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.521 3.503 8.742 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.705 3.512 10.810 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.206 4.838 8.916 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.396 4.844 10.990 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.649 5.503 10.043 1.00 0.45 C ATOM 655 OH TYR A 60 -4.343 6.832 10.231 1.00 0.58 O ATOM 0 H TYR A 60 -6.954 1.725 7.438 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.242 1.074 7.882 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.715 1.250 9.637 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.163 0.783 10.304 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.176 2.985 7.859 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.292 2.999 11.557 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.617 5.358 8.175 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.739 5.367 11.871 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.721 7.126 9.533 1.00 0.58 H new ATOM 665 N GLN A 61 -6.434 -1.353 8.085 1.00 0.46 N ATOM 666 CA GLN A 61 -6.618 -2.781 8.274 1.00 0.55 C ATOM 667 C GLN A 61 -6.431 -3.525 6.960 1.00 0.56 C ATOM 668 O GLN A 61 -6.897 -3.074 5.914 1.00 0.57 O ATOM 669 CB GLN A 61 -8.006 -3.075 8.849 1.00 0.65 C ATOM 670 CG GLN A 61 -8.476 -2.049 9.868 1.00 0.71 C ATOM 671 CD GLN A 61 -9.826 -1.458 9.512 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.799 -2.181 9.304 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.897 -0.138 9.445 1.00 1.63 N ATOM 0 H GLN A 61 -7.270 -0.857 7.776 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.865 -3.127 8.982 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.726 -3.119 8.032 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.995 -4.060 9.317 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.535 -2.517 10.850 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.740 -1.249 9.940 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.067 0.427 9.624 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.782 0.314 9.214 1.00 1.63 H new ATOM 682 N PRO A 62 -5.745 -4.674 7.003 1.00 0.63 N ATOM 683 CA PRO A 62 -5.485 -5.480 5.810 1.00 0.68 C ATOM 684 C PRO A 62 -6.747 -6.135 5.257 1.00 0.69 C ATOM 685 O PRO A 62 -7.615 -6.589 6.013 1.00 0.77 O ATOM 686 CB PRO A 62 -4.499 -6.541 6.303 1.00 0.78 C ATOM 687 CG PRO A 62 -4.727 -6.639 7.769 1.00 0.87 C ATOM 688 CD PRO A 62 -5.165 -5.274 8.219 1.00 0.73 C ATOM 0 HA PRO A 62 -5.103 -4.874 4.989 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.674 -7.499 5.813 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.471 -6.254 6.083 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -5.488 -7.386 7.995 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.817 -6.945 8.285 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.897 -5.334 9.024 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.326 -4.688 8.594 1.00 0.73 H new ATOM 696 N VAL A 63 -6.844 -6.189 3.935 1.00 0.66 N ATOM 697 CA VAL A 63 -7.968 -6.840 3.286 1.00 0.69 C ATOM 698 C VAL A 63 -7.776 -8.351 3.341 1.00 0.77 C ATOM 699 O VAL A 63 -7.186 -8.963 2.450 1.00 0.88 O ATOM 700 CB VAL A 63 -8.154 -6.372 1.822 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.182 -7.237 1.102 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.580 -4.912 1.781 1.00 0.75 C ATOM 0 H VAL A 63 -6.158 -5.790 3.294 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.874 -6.560 3.823 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.197 -6.475 1.310 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.295 -6.889 0.075 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.846 -8.274 1.099 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.140 -7.168 1.617 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.706 -4.599 0.745 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.524 -4.793 2.314 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.816 -4.297 2.255 1.00 0.75 H new ATOM 712 N ASP A 64 -8.248 -8.940 4.423 1.00 0.79 N ATOM 713 CA ASP A 64 -8.104 -10.369 4.642 1.00 0.93 C ATOM 714 C ASP A 64 -9.421 -11.088 4.352 1.00 1.00 C ATOM 715 O ASP A 64 -9.521 -12.306 4.490 1.00 1.51 O ATOM 716 CB ASP A 64 -7.598 -10.616 6.075 1.00 1.02 C ATOM 717 CG ASP A 64 -8.594 -11.321 6.976 1.00 1.29 C ATOM 718 OD1 ASP A 64 -9.710 -10.787 7.170 1.00 1.85 O ATOM 719 OD2 ASP A 64 -8.270 -12.414 7.477 1.00 1.42 O ATOM 0 H ASP A 64 -8.738 -8.448 5.170 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.366 -10.781 3.953 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.685 -11.209 6.028 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.333 -9.659 6.524 1.00 1.02 H new ATOM 724 N ALA A 65 -10.413 -10.294 3.925 1.00 0.94 N ATOM 725 CA ALA A 65 -11.748 -10.775 3.527 1.00 0.94 C ATOM 726 C ALA A 65 -12.692 -10.911 4.721 1.00 1.03 C ATOM 727 O ALA A 65 -13.908 -10.892 4.555 1.00 1.29 O ATOM 728 CB ALA A 65 -11.681 -12.088 2.751 1.00 0.96 C ATOM 0 H ALA A 65 -10.311 -9.282 3.844 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.154 -10.013 2.862 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.689 -12.402 2.480 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.089 -11.946 1.847 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.217 -12.854 3.372 1.00 0.96 H new ATOM 734 N ILE A 66 -12.142 -11.022 5.918 1.00 1.03 N ATOM 735 CA ILE A 66 -12.961 -11.198 7.114 1.00 1.14 C ATOM 736 C ILE A 66 -12.884 -9.971 8.014 1.00 1.13 C ATOM 737 O ILE A 66 -13.906 -9.434 8.437 1.00 1.19 O ATOM 738 CB ILE A 66 -12.533 -12.448 7.917 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.480 -13.683 7.009 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.481 -12.686 9.086 1.00 1.37 C ATOM 741 CD1 ILE A 66 -13.822 -14.069 6.415 1.00 1.89 C ATOM 0 H ILE A 66 -11.137 -10.994 6.092 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.989 -11.334 6.777 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.534 -12.271 8.315 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.776 -13.496 6.199 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.091 -14.526 7.581 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -13.163 -13.570 9.638 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.467 -11.820 9.748 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -14.492 -12.838 8.709 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -13.701 -14.951 5.786 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -14.525 -14.290 7.218 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -14.205 -13.244 5.814 1.00 1.89 H new ATOM 753 N LYS A 67 -11.666 -9.524 8.284 1.00 1.10 N ATOM 754 CA LYS A 67 -11.426 -8.381 9.157 1.00 1.15 C ATOM 755 C LYS A 67 -12.125 -7.124 8.646 1.00 1.13 C ATOM 756 O LYS A 67 -12.611 -6.308 9.430 1.00 1.27 O ATOM 757 CB LYS A 67 -9.928 -8.131 9.284 1.00 1.21 C ATOM 758 CG LYS A 67 -9.524 -7.503 10.607 1.00 1.50 C ATOM 759 CD LYS A 67 -8.741 -8.479 11.472 1.00 1.90 C ATOM 760 CE LYS A 67 -9.664 -9.334 12.331 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.909 -10.219 13.258 1.00 2.99 N ATOM 0 H LYS A 67 -10.816 -9.942 7.905 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.841 -8.616 10.137 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.399 -9.077 9.164 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.607 -7.481 8.470 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.920 -6.615 10.420 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.415 -7.175 11.142 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -8.135 -9.124 10.836 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -8.054 -7.927 12.114 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -10.325 -8.686 12.907 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -10.298 -9.943 11.686 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -9.577 -10.782 13.822 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -8.297 -10.856 12.709 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -8.324 -9.639 13.892 1.00 2.99 H new ATOM 775 N LEU A 68 -12.166 -6.968 7.332 1.00 1.02 N ATOM 776 CA LEU A 68 -12.831 -5.825 6.720 1.00 1.03 C ATOM 777 C LEU A 68 -14.123 -6.263 6.036 1.00 1.05 C ATOM 778 O LEU A 68 -14.799 -5.462 5.389 1.00 1.10 O ATOM 779 CB LEU A 68 -11.900 -5.146 5.716 1.00 1.02 C ATOM 780 CG LEU A 68 -11.445 -3.737 6.105 1.00 1.07 C ATOM 781 CD1 LEU A 68 -10.224 -3.329 5.297 1.00 1.61 C ATOM 782 CD2 LEU A 68 -12.576 -2.737 5.908 1.00 1.66 C ATOM 0 H LEU A 68 -11.747 -7.618 6.667 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.081 -5.109 7.503 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.018 -5.772 5.581 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.406 -5.095 4.752 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.172 -3.743 7.160 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -9.915 -2.325 5.587 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -9.410 -4.029 5.489 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -10.470 -3.340 4.235 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -12.234 -1.741 6.190 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -12.881 -2.734 4.861 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -13.424 -3.019 6.532 1.00 1.66 H new ATOM 794 N ASN A 69 -14.451 -7.543 6.203 1.00 1.06 N ATOM 795 CA ASN A 69 -15.646 -8.147 5.604 1.00 1.12 C ATOM 796 C ASN A 69 -15.676 -7.951 4.089 1.00 1.09 C ATOM 797 O ASN A 69 -16.664 -7.478 3.523 1.00 1.15 O ATOM 798 CB ASN A 69 -16.916 -7.582 6.242 1.00 1.24 C ATOM 799 CG ASN A 69 -18.104 -8.517 6.105 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.044 -9.530 5.405 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.194 -8.184 6.776 1.00 1.55 N ATOM 0 H ASN A 69 -13.896 -8.194 6.758 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.604 -9.218 5.800 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.732 -7.387 7.298 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.156 -6.625 5.779 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.025 -8.774 6.725 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -19.204 -7.337 7.345 1.00 1.55 H new ATOM 808 N LEU A 70 -14.587 -8.327 3.431 1.00 1.04 N ATOM 809 CA LEU A 70 -14.483 -8.200 1.984 1.00 1.01 C ATOM 810 C LEU A 70 -14.087 -9.525 1.329 1.00 0.99 C ATOM 811 O LEU A 70 -13.011 -9.630 0.745 1.00 0.95 O ATOM 812 CB LEU A 70 -13.462 -7.120 1.619 1.00 1.01 C ATOM 813 CG LEU A 70 -13.607 -5.817 2.391 1.00 1.13 C ATOM 814 CD1 LEU A 70 -12.417 -4.917 2.127 1.00 1.61 C ATOM 815 CD2 LEU A 70 -14.907 -5.126 2.024 1.00 1.54 C ATOM 0 H LEU A 70 -13.761 -8.724 3.879 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.466 -7.915 1.608 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.460 -7.516 1.787 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.546 -6.906 0.554 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.635 -6.040 3.458 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -12.533 -3.988 2.685 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -11.503 -5.420 2.444 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -12.358 -4.695 1.061 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -14.995 -4.196 2.585 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -14.914 -4.908 0.956 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -15.746 -5.777 2.267 1.00 1.54 H new ATOM 827 N PRO A 71 -14.945 -10.557 1.411 1.00 1.06 N ATOM 828 CA PRO A 71 -14.681 -11.839 0.753 1.00 1.11 C ATOM 829 C PRO A 71 -14.928 -11.740 -0.747 1.00 1.05 C ATOM 830 O PRO A 71 -14.423 -12.541 -1.537 1.00 1.09 O ATOM 831 CB PRO A 71 -15.685 -12.781 1.413 1.00 1.28 C ATOM 832 CG PRO A 71 -16.820 -11.912 1.824 1.00 1.30 C ATOM 833 CD PRO A 71 -16.229 -10.565 2.145 1.00 1.18 C ATOM 0 HA PRO A 71 -13.649 -12.173 0.860 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.013 -13.556 0.720 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -15.245 -13.287 2.272 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -17.557 -11.832 1.025 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -17.333 -12.328 2.691 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.881 -9.755 1.819 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -16.077 -10.440 3.217 1.00 1.18 H new ATOM 841 N ASP A 72 -15.702 -10.731 -1.121 1.00 1.04 N ATOM 842 CA ASP A 72 -16.032 -10.464 -2.512 1.00 1.07 C ATOM 843 C ASP A 72 -14.845 -9.828 -3.226 1.00 0.94 C ATOM 844 O ASP A 72 -14.744 -9.856 -4.453 1.00 0.95 O ATOM 845 CB ASP A 72 -17.243 -9.536 -2.575 1.00 1.24 C ATOM 846 CG ASP A 72 -18.117 -9.785 -3.784 1.00 1.49 C ATOM 847 OD1 ASP A 72 -18.607 -10.923 -3.942 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.332 -8.835 -4.570 1.00 1.97 O ATOM 0 H ASP A 72 -16.120 -10.072 -0.464 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.269 -11.404 -3.011 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.838 -9.663 -1.671 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -16.900 -8.501 -2.588 1.00 1.24 H new ATOM 853 N TYR A 73 -13.937 -9.267 -2.432 1.00 0.87 N ATOM 854 CA TYR A 73 -12.732 -8.635 -2.949 1.00 0.79 C ATOM 855 C TYR A 73 -11.842 -9.668 -3.623 1.00 0.74 C ATOM 856 O TYR A 73 -11.264 -9.412 -4.677 1.00 0.73 O ATOM 857 CB TYR A 73 -11.965 -7.971 -1.803 1.00 0.78 C ATOM 858 CG TYR A 73 -11.426 -6.595 -2.125 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.286 -5.521 -2.325 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.063 -6.374 -2.244 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.797 -4.265 -2.630 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.567 -5.122 -2.553 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.431 -4.062 -2.688 1.00 0.94 C ATOM 864 OH TYR A 73 -9.944 -2.826 -3.055 1.00 1.13 O ATOM 0 H TYR A 73 -14.017 -9.239 -1.416 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.019 -7.881 -3.682 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.623 -7.896 -0.937 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.134 -8.616 -1.517 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.352 -5.671 -2.241 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.377 -7.194 -2.093 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.477 -3.448 -2.822 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.505 -4.977 -2.688 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.398 -2.460 -2.328 1.00 1.13 H new ATOM 874 N HIS A 74 -11.778 -10.849 -3.019 1.00 0.79 N ATOM 875 CA HIS A 74 -10.879 -11.912 -3.467 1.00 0.80 C ATOM 876 C HIS A 74 -11.434 -12.633 -4.694 1.00 0.85 C ATOM 877 O HIS A 74 -10.876 -13.636 -5.144 1.00 0.91 O ATOM 878 CB HIS A 74 -10.659 -12.927 -2.339 1.00 0.89 C ATOM 879 CG HIS A 74 -9.943 -12.384 -1.132 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.863 -11.035 -0.878 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.304 -13.054 -0.142 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.186 -10.916 0.249 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.825 -12.111 0.732 1.00 0.82 N ATOM 0 H HIS A 74 -12.344 -11.098 -2.208 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.930 -11.449 -3.738 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.628 -13.316 -2.025 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.090 -13.769 -2.733 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.193 -14.125 -0.057 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.953 -9.973 0.722 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.295 -12.287 1.586 1.00 0.82 H new ATOM 891 N LYS A 75 -12.536 -12.127 -5.233 1.00 0.89 N ATOM 892 CA LYS A 75 -13.168 -12.731 -6.392 1.00 0.97 C ATOM 893 C LYS A 75 -12.731 -12.004 -7.651 1.00 0.92 C ATOM 894 O LYS A 75 -12.221 -12.613 -8.593 1.00 1.11 O ATOM 895 CB LYS A 75 -14.694 -12.678 -6.260 1.00 1.09 C ATOM 896 CG LYS A 75 -15.242 -13.543 -5.135 1.00 1.20 C ATOM 897 CD LYS A 75 -16.005 -14.746 -5.670 1.00 1.68 C ATOM 898 CE LYS A 75 -15.373 -16.057 -5.226 1.00 2.05 C ATOM 899 NZ LYS A 75 -15.150 -16.980 -6.369 1.00 2.86 N ATOM 0 H LYS A 75 -13.010 -11.295 -4.881 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.862 -13.775 -6.454 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.000 -11.645 -6.094 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.142 -12.995 -7.201 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.420 -13.884 -4.505 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.900 -12.946 -4.504 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.038 -14.705 -5.324 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -16.031 -14.705 -6.759 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -14.422 -15.853 -4.733 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -16.016 -16.539 -4.490 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -14.718 -17.861 -6.025 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -16.060 -17.195 -6.824 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -14.515 -16.530 -7.060 1.00 2.86 H new ATOM 913 N ILE A 76 -12.916 -10.692 -7.647 1.00 0.78 N ATOM 914 CA ILE A 76 -12.575 -9.873 -8.794 1.00 0.77 C ATOM 915 C ILE A 76 -11.139 -9.372 -8.696 1.00 0.69 C ATOM 916 O ILE A 76 -10.369 -9.460 -9.655 1.00 0.78 O ATOM 917 CB ILE A 76 -13.529 -8.664 -8.921 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.970 -9.142 -9.107 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.115 -7.762 -10.076 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.859 -8.864 -7.913 1.00 1.00 C ATOM 0 H ILE A 76 -13.302 -10.173 -6.858 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.678 -10.499 -9.680 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.468 -8.084 -8.000 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.394 -8.657 -9.986 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.966 -10.214 -9.305 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.802 -6.919 -10.144 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.104 -7.393 -9.905 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.142 -8.328 -11.007 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.866 -9.230 -8.116 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.459 -9.371 -7.035 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.894 -7.790 -7.727 1.00 1.00 H new ATOM 932 N ILE A 77 -10.782 -8.862 -7.529 1.00 0.58 N ATOM 933 CA ILE A 77 -9.462 -8.293 -7.316 1.00 0.53 C ATOM 934 C ILE A 77 -8.433 -9.401 -7.113 1.00 0.64 C ATOM 935 O ILE A 77 -8.487 -10.152 -6.140 1.00 0.75 O ATOM 936 CB ILE A 77 -9.460 -7.324 -6.110 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.406 -6.141 -6.369 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.057 -6.820 -5.818 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.189 -5.461 -7.705 1.00 0.50 C ATOM 0 H ILE A 77 -11.391 -8.831 -6.711 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.192 -7.723 -8.205 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.814 -7.873 -5.237 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.436 -6.494 -6.315 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.279 -5.406 -5.574 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.084 -6.141 -4.966 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.407 -7.665 -5.588 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.671 -6.292 -6.690 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.894 -4.637 -7.813 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.171 -5.076 -7.756 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.346 -6.180 -8.509 1.00 0.50 H new ATOM 951 N LYS A 78 -7.501 -9.499 -8.052 1.00 0.74 N ATOM 952 CA LYS A 78 -6.503 -10.562 -8.038 1.00 0.90 C ATOM 953 C LYS A 78 -5.464 -10.337 -6.944 1.00 0.73 C ATOM 954 O LYS A 78 -4.854 -11.287 -6.447 1.00 0.72 O ATOM 955 CB LYS A 78 -5.812 -10.650 -9.398 1.00 1.16 C ATOM 956 CG LYS A 78 -6.711 -11.179 -10.501 1.00 1.45 C ATOM 957 CD LYS A 78 -6.236 -10.726 -11.872 1.00 1.67 C ATOM 958 CE LYS A 78 -7.040 -9.541 -12.386 1.00 1.72 C ATOM 959 NZ LYS A 78 -7.835 -9.888 -13.592 1.00 1.99 N ATOM 0 H LYS A 78 -7.415 -8.853 -8.836 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.017 -11.500 -7.829 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.451 -9.660 -9.678 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.938 -11.296 -9.312 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.732 -12.268 -10.464 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.732 -10.835 -10.336 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -5.182 -10.455 -11.820 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.318 -11.554 -12.577 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -7.708 -9.188 -11.600 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -6.364 -8.719 -12.622 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -8.367 -9.053 -13.909 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.196 -10.200 -14.351 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.499 -10.655 -13.361 1.00 1.99 H new ATOM 973 N ASN A 79 -5.256 -9.081 -6.583 1.00 0.67 N ATOM 974 CA ASN A 79 -4.282 -8.728 -5.559 1.00 0.56 C ATOM 975 C ASN A 79 -4.921 -7.861 -4.479 1.00 0.54 C ATOM 976 O ASN A 79 -4.801 -6.637 -4.507 1.00 0.52 O ATOM 977 CB ASN A 79 -3.077 -7.996 -6.170 1.00 0.60 C ATOM 978 CG ASN A 79 -3.401 -7.265 -7.462 1.00 1.09 C ATOM 979 OD1 ASN A 79 -4.471 -6.668 -7.614 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.474 -7.301 -8.404 1.00 1.28 N ATOM 0 H ASN A 79 -5.750 -8.285 -6.985 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.931 -9.655 -5.105 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.691 -7.280 -5.444 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.282 -8.717 -6.360 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -2.631 -6.825 -9.292 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.602 -7.805 -8.242 1.00 1.28 H new ATOM 987 N PRO A 80 -5.616 -8.488 -3.517 1.00 0.58 N ATOM 988 CA PRO A 80 -6.248 -7.772 -2.405 1.00 0.60 C ATOM 989 C PRO A 80 -5.216 -7.121 -1.485 1.00 0.55 C ATOM 990 O PRO A 80 -4.688 -7.758 -0.567 1.00 0.64 O ATOM 991 CB PRO A 80 -7.020 -8.866 -1.662 1.00 0.70 C ATOM 992 CG PRO A 80 -6.358 -10.143 -2.039 1.00 0.89 C ATOM 993 CD PRO A 80 -5.839 -9.946 -3.436 1.00 0.67 C ATOM 0 HA PRO A 80 -6.881 -6.955 -2.751 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.985 -8.709 -0.584 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.071 -8.869 -1.949 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.546 -10.379 -1.351 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.062 -10.974 -1.998 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.917 -10.503 -3.604 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.557 -10.285 -4.183 1.00 0.67 H new ATOM 1001 N MET A 81 -4.918 -5.857 -1.752 1.00 0.46 N ATOM 1002 CA MET A 81 -3.922 -5.114 -0.991 1.00 0.43 C ATOM 1003 C MET A 81 -4.516 -3.823 -0.466 1.00 0.43 C ATOM 1004 O MET A 81 -5.497 -3.309 -1.008 1.00 0.55 O ATOM 1005 CB MET A 81 -2.692 -4.814 -1.858 1.00 0.44 C ATOM 1006 CG MET A 81 -2.114 -6.041 -2.552 1.00 0.74 C ATOM 1007 SD MET A 81 -0.714 -6.761 -1.669 1.00 0.82 S ATOM 1008 CE MET A 81 -1.533 -7.417 -0.219 1.00 0.70 C ATOM 0 H MET A 81 -5.358 -5.319 -2.499 1.00 0.46 H new ATOM 0 HA MET A 81 -3.609 -5.727 -0.146 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.962 -4.075 -2.612 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.920 -4.364 -1.234 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.896 -6.794 -2.657 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.799 -5.767 -3.559 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.819 -7.987 0.376 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.929 -6.596 0.378 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.351 -8.069 -0.527 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.900 -3.311 0.581 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.412 -2.167 1.307 1.00 0.36 C ATOM 1020 C ASP A 82 -3.256 -1.246 1.683 1.00 0.35 C ATOM 1021 O ASP A 82 -2.519 -0.800 0.812 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.172 -2.651 2.550 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.425 -3.754 3.278 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.617 -4.942 2.936 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.616 -3.440 4.172 1.00 1.32 O ATOM 0 H ASP A 82 -3.025 -3.680 0.954 1.00 0.37 H new ATOM 0 HA ASP A 82 -5.105 -1.603 0.683 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.331 -1.812 3.228 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -6.157 -3.013 2.255 1.00 0.38 H new ATOM 1030 N MET A 83 -3.072 -0.984 2.966 1.00 0.27 N ATOM 1031 CA MET A 83 -1.978 -0.137 3.416 1.00 0.26 C ATOM 1032 C MET A 83 -1.215 -0.811 4.549 1.00 0.25 C ATOM 1033 O MET A 83 -0.072 -0.457 4.844 1.00 0.26 O ATOM 1034 CB MET A 83 -2.501 1.224 3.867 1.00 0.31 C ATOM 1035 CG MET A 83 -1.621 2.385 3.444 1.00 0.43 C ATOM 1036 SD MET A 83 -2.482 3.968 3.525 1.00 0.80 S ATOM 1037 CE MET A 83 -2.758 4.113 5.287 1.00 0.38 C ATOM 0 H MET A 83 -3.664 -1.344 3.714 1.00 0.27 H new ATOM 0 HA MET A 83 -1.297 0.015 2.579 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.502 1.371 3.461 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.594 1.226 4.953 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.740 2.421 4.084 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.269 2.218 2.426 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.964 5.153 5.539 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.608 3.495 5.574 1.00 0.38 H new ATOM 0 HE3 MET A 83 -1.869 3.780 5.823 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.840 -1.810 5.158 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.218 -2.509 6.255 1.00 0.29 C ATOM 1049 C GLY A 84 -0.393 -3.656 5.740 1.00 0.26 C ATOM 1050 O GLY A 84 0.596 -4.058 6.351 1.00 0.32 O ATOM 0 H GLY A 84 -2.770 -2.146 4.908 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.587 -1.824 6.821 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.981 -2.879 6.939 1.00 0.29 H new ATOM 1054 N THR A 85 -0.799 -4.173 4.592 1.00 0.24 N ATOM 1055 CA THR A 85 -0.061 -5.224 3.932 1.00 0.25 C ATOM 1056 C THR A 85 1.206 -4.670 3.290 1.00 0.26 C ATOM 1057 O THR A 85 2.246 -5.330 3.270 1.00 0.32 O ATOM 1058 CB THR A 85 -0.926 -5.919 2.866 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.850 -4.980 2.295 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.696 -7.080 3.471 1.00 0.84 C ATOM 0 H THR A 85 -1.642 -3.876 4.100 1.00 0.24 H new ATOM 0 HA THR A 85 0.217 -5.959 4.687 1.00 0.25 H new ATOM 0 HB THR A 85 -0.266 -6.302 2.088 1.00 0.27 H new ATOM 0 HG1 THR A 85 -1.354 -4.244 1.879 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.301 -7.557 2.700 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.995 -7.806 3.883 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.345 -6.711 4.265 1.00 0.84 H new ATOM 1068 N ILE A 86 1.106 -3.452 2.772 1.00 0.27 N ATOM 1069 CA ILE A 86 2.257 -2.752 2.222 1.00 0.31 C ATOM 1070 C ILE A 86 3.302 -2.529 3.308 1.00 0.29 C ATOM 1071 O ILE A 86 4.466 -2.902 3.154 1.00 0.32 O ATOM 1072 CB ILE A 86 1.840 -1.396 1.613 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.054 -1.620 0.322 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.053 -0.517 1.346 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.355 -0.379 -0.181 1.00 0.97 C ATOM 0 H ILE A 86 0.233 -2.927 2.722 1.00 0.27 H new ATOM 0 HA ILE A 86 2.683 -3.369 1.431 1.00 0.31 H new ATOM 0 HB ILE A 86 1.204 -0.881 2.333 1.00 0.36 H new ATOM 0 HG12 ILE A 86 1.733 -1.983 -0.449 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.313 -2.402 0.488 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.728 0.431 0.917 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.580 -0.330 2.282 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.721 -1.021 0.647 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.183 -0.612 -1.100 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.350 -0.027 0.573 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.092 0.399 -0.379 1.00 0.97 H new ATOM 1087 N LYS A 87 2.875 -1.936 4.420 1.00 0.29 N ATOM 1088 CA LYS A 87 3.777 -1.694 5.534 1.00 0.34 C ATOM 1089 C LYS A 87 4.303 -3.006 6.116 1.00 0.34 C ATOM 1090 O LYS A 87 5.409 -3.045 6.647 1.00 0.38 O ATOM 1091 CB LYS A 87 3.095 -0.845 6.620 1.00 0.41 C ATOM 1092 CG LYS A 87 2.162 -1.616 7.541 1.00 0.49 C ATOM 1093 CD LYS A 87 2.696 -1.669 8.965 1.00 0.69 C ATOM 1094 CE LYS A 87 2.000 -2.746 9.777 1.00 1.08 C ATOM 1095 NZ LYS A 87 2.728 -3.050 11.036 1.00 1.15 N ATOM 0 H LYS A 87 1.918 -1.618 4.570 1.00 0.29 H new ATOM 0 HA LYS A 87 4.631 -1.133 5.154 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.866 -0.367 7.224 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.529 -0.049 6.137 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.178 -1.147 7.538 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.033 -2.630 7.163 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.769 -1.861 8.946 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.554 -0.701 9.445 1.00 0.69 H new ATOM 0 HE2 LYS A 87 0.986 -2.424 10.013 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.915 -3.653 9.179 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 2.053 -3.091 11.826 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 3.211 -3.967 10.945 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.430 -2.305 11.219 1.00 1.15 H new ATOM 1109 N LYS A 88 3.523 -4.083 5.998 1.00 0.35 N ATOM 1110 CA LYS A 88 3.947 -5.387 6.497 1.00 0.39 C ATOM 1111 C LYS A 88 5.171 -5.882 5.732 1.00 0.41 C ATOM 1112 O LYS A 88 6.153 -6.327 6.329 1.00 0.46 O ATOM 1113 CB LYS A 88 2.810 -6.405 6.379 1.00 0.42 C ATOM 1114 CG LYS A 88 2.930 -7.574 7.345 1.00 0.73 C ATOM 1115 CD LYS A 88 2.498 -7.183 8.749 1.00 1.26 C ATOM 1116 CE LYS A 88 3.386 -7.818 9.806 1.00 1.68 C ATOM 1117 NZ LYS A 88 3.404 -7.025 11.065 1.00 2.46 N ATOM 0 H LYS A 88 2.600 -4.076 5.563 1.00 0.35 H new ATOM 0 HA LYS A 88 4.211 -5.278 7.549 1.00 0.39 H new ATOM 0 HB2 LYS A 88 1.861 -5.898 6.553 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.783 -6.790 5.359 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.317 -8.403 6.992 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.961 -7.926 7.365 1.00 0.73 H new ATOM 0 HD2 LYS A 88 2.529 -6.098 8.851 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.464 -7.489 8.910 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.033 -8.827 10.018 1.00 1.68 H new ATOM 0 HE3 LYS A 88 4.401 -7.909 9.420 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 3.640 -7.647 11.864 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 4.117 -6.272 10.991 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.467 -6.601 11.222 1.00 2.46 H new ATOM 1131 N ARG A 89 5.108 -5.788 4.409 1.00 0.40 N ATOM 1132 CA ARG A 89 6.216 -6.186 3.552 1.00 0.44 C ATOM 1133 C ARG A 89 7.423 -5.277 3.783 1.00 0.43 C ATOM 1134 O ARG A 89 8.571 -5.692 3.619 1.00 0.48 O ATOM 1135 CB ARG A 89 5.794 -6.117 2.084 1.00 0.47 C ATOM 1136 CG ARG A 89 5.247 -7.419 1.520 1.00 0.68 C ATOM 1137 CD ARG A 89 4.522 -7.197 0.193 1.00 0.64 C ATOM 1138 NE ARG A 89 5.354 -7.552 -0.962 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.870 -7.880 -2.166 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.567 -7.797 -2.413 1.00 1.16 N ATOM 1141 NH2 ARG A 89 5.698 -8.244 -3.139 1.00 1.03 N ATOM 0 H ARG A 89 4.294 -5.437 3.904 1.00 0.40 H new ATOM 0 HA ARG A 89 6.493 -7.211 3.799 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.036 -5.342 1.974 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.653 -5.810 1.487 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.065 -8.125 1.375 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.562 -7.868 2.239 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.609 -7.792 0.177 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.223 -6.152 0.115 1.00 0.64 H new ATOM 0 HE ARG A 89 6.367 -7.549 -0.840 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.929 -7.482 -1.683 1.00 1.16 H new ATOM 0 HH12 ARG A 89 3.205 -8.049 -3.333 1.00 1.16 H new ATOM 0 HH21 ARG A 89 6.703 -8.274 -2.969 1.00 1.03 H new ATOM 0 HH22 ARG A 89 5.328 -8.494 -4.056 1.00 1.03 H new ATOM 1155 N LEU A 90 7.146 -4.035 4.158 1.00 0.40 N ATOM 1156 CA LEU A 90 8.190 -3.047 4.398 1.00 0.41 C ATOM 1157 C LEU A 90 8.939 -3.323 5.699 1.00 0.44 C ATOM 1158 O LEU A 90 10.162 -3.444 5.702 1.00 0.49 O ATOM 1159 CB LEU A 90 7.587 -1.646 4.456 1.00 0.39 C ATOM 1160 CG LEU A 90 7.464 -0.933 3.112 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.520 0.249 3.234 1.00 0.38 C ATOM 1162 CD2 LEU A 90 8.830 -0.480 2.617 1.00 0.45 C ATOM 0 H LEU A 90 6.199 -3.686 4.304 1.00 0.40 H new ATOM 0 HA LEU A 90 8.897 -3.114 3.571 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.596 -1.713 4.905 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.197 -1.033 5.120 1.00 0.39 H new ATOM 0 HG LEU A 90 7.055 -1.632 2.383 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.439 0.751 2.270 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.536 -0.102 3.544 1.00 0.38 H new ATOM 0 HD13 LEU A 90 6.906 0.948 3.976 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.720 0.026 1.658 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.270 0.206 3.341 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.480 -1.347 2.498 1.00 0.45 H new ATOM 1174 N GLU A 91 8.198 -3.423 6.799 1.00 0.45 N ATOM 1175 CA GLU A 91 8.800 -3.594 8.118 1.00 0.50 C ATOM 1176 C GLU A 91 9.494 -4.948 8.237 1.00 0.54 C ATOM 1177 O GLU A 91 10.497 -5.082 8.939 1.00 0.64 O ATOM 1178 CB GLU A 91 7.743 -3.443 9.219 1.00 0.53 C ATOM 1179 CG GLU A 91 6.566 -4.395 9.080 1.00 0.76 C ATOM 1180 CD GLU A 91 5.941 -4.747 10.411 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.691 -5.021 11.367 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.691 -4.765 10.500 1.00 1.39 O ATOM 0 H GLU A 91 7.179 -3.389 6.803 1.00 0.45 H new ATOM 0 HA GLU A 91 9.551 -2.814 8.243 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.216 -3.605 10.187 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.371 -2.418 9.214 1.00 0.53 H new ATOM 0 HG2 GLU A 91 5.811 -3.942 8.437 1.00 0.76 H new ATOM 0 HG3 GLU A 91 6.899 -5.308 8.586 1.00 0.76 H new ATOM 1189 N ASN A 92 8.963 -5.945 7.540 1.00 0.51 N ATOM 1190 CA ASN A 92 9.549 -7.280 7.552 1.00 0.57 C ATOM 1191 C ASN A 92 10.723 -7.356 6.585 1.00 0.60 C ATOM 1192 O ASN A 92 11.418 -8.370 6.519 1.00 0.68 O ATOM 1193 CB ASN A 92 8.500 -8.331 7.181 1.00 0.60 C ATOM 1194 CG ASN A 92 8.272 -9.348 8.285 1.00 0.69 C ATOM 1195 OD1 ASN A 92 7.870 -9.001 9.398 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.518 -10.614 7.984 1.00 1.30 N ATOM 0 H ASN A 92 8.129 -5.855 6.960 1.00 0.51 H new ATOM 0 HA ASN A 92 9.909 -7.484 8.560 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.558 -7.833 6.952 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.815 -8.849 6.275 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.376 -11.342 8.684 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.850 -10.861 7.052 1.00 1.30 H new ATOM 1203 N ASN A 93 10.939 -6.263 5.848 1.00 0.58 N ATOM 1204 CA ASN A 93 12.010 -6.167 4.860 1.00 0.62 C ATOM 1205 C ASN A 93 11.905 -7.273 3.819 1.00 0.66 C ATOM 1206 O ASN A 93 12.826 -8.071 3.648 1.00 0.77 O ATOM 1207 CB ASN A 93 13.383 -6.212 5.534 1.00 0.70 C ATOM 1208 CG ASN A 93 14.400 -5.377 4.815 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.371 -4.147 4.871 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.311 -6.033 4.143 1.00 1.22 N ATOM 0 H ASN A 93 10.372 -5.418 5.922 1.00 0.58 H new ATOM 0 HA ASN A 93 11.899 -5.208 4.354 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.292 -5.863 6.562 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.730 -7.244 5.578 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.036 -5.525 3.637 1.00 1.22 H new ATOM 0 HD22 ASN A 93 15.296 -7.053 4.125 1.00 1.22 H new ATOM 1217 N TYR A 94 10.776 -7.323 3.127 1.00 0.61 N ATOM 1218 CA TYR A 94 10.566 -8.331 2.105 1.00 0.67 C ATOM 1219 C TYR A 94 11.101 -7.863 0.755 1.00 0.70 C ATOM 1220 O TYR A 94 11.599 -8.664 -0.038 1.00 0.79 O ATOM 1221 CB TYR A 94 9.081 -8.660 1.973 1.00 0.71 C ATOM 1222 CG TYR A 94 8.804 -9.620 0.844 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.269 -10.924 0.892 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.111 -9.209 -0.280 1.00 0.74 C ATOM 1225 CE1 TYR A 94 9.044 -11.798 -0.149 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.884 -10.074 -1.331 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.351 -11.368 -1.261 1.00 0.85 C ATOM 1228 OH TYR A 94 8.135 -12.226 -2.310 1.00 0.96 O ATOM 0 H TYR A 94 9.996 -6.679 3.256 1.00 0.61 H new ATOM 0 HA TYR A 94 11.109 -9.226 2.409 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.722 -9.090 2.908 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.521 -7.739 1.810 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.817 -11.261 1.760 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.742 -8.196 -0.336 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.408 -12.813 -0.094 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.343 -9.738 -2.204 1.00 0.81 H new ATOM 0 HH TYR A 94 7.630 -11.764 -3.012 1.00 0.96 H new ATOM 1238 N TYR A 95 10.978 -6.570 0.493 1.00 0.77 N ATOM 1239 CA TYR A 95 11.372 -6.016 -0.795 1.00 0.88 C ATOM 1240 C TYR A 95 12.867 -5.859 -0.898 1.00 0.75 C ATOM 1241 O TYR A 95 13.600 -5.975 0.082 1.00 1.04 O ATOM 1242 CB TYR A 95 10.768 -4.631 -1.030 1.00 1.17 C ATOM 1243 CG TYR A 95 9.282 -4.512 -0.837 1.00 0.95 C ATOM 1244 CD1 TYR A 95 8.393 -4.941 -1.811 1.00 0.92 C ATOM 1245 CD2 TYR A 95 8.770 -3.913 0.300 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.033 -4.779 -1.655 1.00 0.96 C ATOM 1247 CE2 TYR A 95 7.414 -3.757 0.471 1.00 1.09 C ATOM 1248 CZ TYR A 95 6.548 -4.186 -0.511 1.00 1.04 C ATOM 1249 OH TYR A 95 5.193 -4.010 -0.342 1.00 1.28 O ATOM 0 H TYR A 95 10.609 -5.886 1.153 1.00 0.77 H new ATOM 0 HA TYR A 95 11.005 -6.723 -1.539 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.258 -3.926 -0.359 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.007 -4.321 -2.047 1.00 1.17 H new ATOM 0 HD1 TYR A 95 8.773 -5.410 -2.707 1.00 0.92 H new ATOM 0 HD2 TYR A 95 9.446 -3.562 1.066 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.353 -5.115 -2.424 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.030 -3.300 1.371 1.00 1.09 H new ATOM 0 HH TYR A 95 4.734 -4.163 -1.195 1.00 1.28 H new ATOM 1259 N TRP A 96 13.295 -5.586 -2.107 1.00 0.72 N ATOM 1260 CA TRP A 96 14.645 -5.157 -2.364 1.00 0.65 C ATOM 1261 C TRP A 96 14.730 -3.647 -2.227 1.00 0.61 C ATOM 1262 O TRP A 96 15.648 -3.101 -1.611 1.00 0.64 O ATOM 1263 CB TRP A 96 15.044 -5.555 -3.780 1.00 0.68 C ATOM 1264 CG TRP A 96 16.517 -5.562 -3.996 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.398 -4.561 -3.712 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.275 -6.623 -4.560 1.00 0.82 C ATOM 1267 NE1 TRP A 96 18.670 -4.958 -4.034 1.00 0.79 N ATOM 1268 CE2 TRP A 96 18.618 -6.217 -4.572 1.00 0.86 C ATOM 1269 CE3 TRP A 96 16.941 -7.881 -5.052 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 19.635 -7.030 -5.059 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 17.950 -8.688 -5.538 1.00 1.03 C ATOM 1272 CH2 TRP A 96 19.283 -8.260 -5.541 1.00 1.05 C ATOM 0 H TRP A 96 12.713 -5.656 -2.942 1.00 0.72 H new ATOM 0 HA TRP A 96 15.317 -5.629 -1.648 1.00 0.65 H new ATOM 0 HB2 TRP A 96 14.647 -6.547 -3.997 1.00 0.68 H new ATOM 0 HB3 TRP A 96 14.583 -4.866 -4.487 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.134 -3.600 -3.296 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.517 -4.406 -3.896 1.00 0.79 H new ATOM 0 HE3 TRP A 96 15.915 -8.219 -5.054 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 20.664 -6.702 -5.057 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 17.707 -9.667 -5.923 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.048 -8.914 -5.932 1.00 1.05 H new ATOM 1283 N SER A 97 13.745 -2.980 -2.798 1.00 0.60 N ATOM 1284 CA SER A 97 13.778 -1.546 -2.929 1.00 0.56 C ATOM 1285 C SER A 97 12.358 -0.987 -2.983 1.00 0.54 C ATOM 1286 O SER A 97 11.390 -1.744 -3.094 1.00 0.55 O ATOM 1287 CB SER A 97 14.559 -1.193 -4.192 1.00 0.58 C ATOM 1288 OG SER A 97 15.082 0.121 -4.137 1.00 1.00 O ATOM 0 H SER A 97 12.907 -3.419 -3.180 1.00 0.60 H new ATOM 0 HA SER A 97 14.272 -1.100 -2.065 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.375 -1.904 -4.325 1.00 0.58 H new ATOM 0 HB3 SER A 97 13.908 -1.289 -5.061 1.00 0.58 H new ATOM 0 HG SER A 97 15.680 0.267 -4.899 1.00 1.00 H new ATOM 1294 N ALA A 98 12.237 0.336 -2.915 1.00 0.54 N ATOM 1295 CA ALA A 98 10.932 0.994 -2.908 1.00 0.56 C ATOM 1296 C ALA A 98 10.203 0.783 -4.231 1.00 0.52 C ATOM 1297 O ALA A 98 8.979 0.842 -4.289 1.00 0.53 O ATOM 1298 CB ALA A 98 11.084 2.478 -2.619 1.00 0.66 C ATOM 0 H ALA A 98 13.029 0.976 -2.864 1.00 0.54 H new ATOM 0 HA ALA A 98 10.334 0.543 -2.116 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.102 2.951 -2.618 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.553 2.613 -1.644 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.707 2.936 -3.387 1.00 0.66 H new ATOM 1304 N SER A 99 10.966 0.511 -5.280 1.00 0.52 N ATOM 1305 CA SER A 99 10.411 0.249 -6.600 1.00 0.54 C ATOM 1306 C SER A 99 9.523 -0.998 -6.585 1.00 0.48 C ATOM 1307 O SER A 99 8.606 -1.135 -7.393 1.00 0.50 O ATOM 1308 CB SER A 99 11.564 0.079 -7.586 1.00 0.62 C ATOM 1309 OG SER A 99 12.809 0.176 -6.907 1.00 0.85 O ATOM 0 H SER A 99 11.984 0.466 -5.240 1.00 0.52 H new ATOM 0 HA SER A 99 9.785 1.088 -6.904 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.487 -0.888 -8.083 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.504 0.842 -8.362 1.00 0.62 H new ATOM 0 HG SER A 99 13.541 0.064 -7.549 1.00 0.85 H new ATOM 1315 N GLU A 100 9.786 -1.893 -5.641 1.00 0.46 N ATOM 1316 CA GLU A 100 9.014 -3.114 -5.505 1.00 0.48 C ATOM 1317 C GLU A 100 7.753 -2.836 -4.692 1.00 0.44 C ATOM 1318 O GLU A 100 6.716 -3.470 -4.886 1.00 0.52 O ATOM 1319 CB GLU A 100 9.878 -4.192 -4.838 1.00 0.56 C ATOM 1320 CG GLU A 100 9.563 -5.608 -5.294 1.00 1.03 C ATOM 1321 CD GLU A 100 10.515 -6.635 -4.707 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.474 -6.235 -4.014 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.308 -7.843 -4.937 1.00 2.37 O ATOM 0 H GLU A 100 10.534 -1.791 -4.955 1.00 0.46 H new ATOM 0 HA GLU A 100 8.712 -3.475 -6.488 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.927 -3.980 -5.043 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.746 -4.132 -3.758 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.542 -5.859 -5.008 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.610 -5.654 -6.382 1.00 1.03 H new ATOM 1330 N CYS A 101 7.849 -1.862 -3.795 1.00 0.41 N ATOM 1331 CA CYS A 101 6.728 -1.478 -2.949 1.00 0.44 C ATOM 1332 C CYS A 101 5.787 -0.529 -3.683 1.00 0.38 C ATOM 1333 O CYS A 101 4.580 -0.527 -3.445 1.00 0.38 O ATOM 1334 CB CYS A 101 7.235 -0.823 -1.668 1.00 0.57 C ATOM 1335 SG CYS A 101 6.058 -0.867 -0.297 1.00 0.95 S ATOM 0 H CYS A 101 8.699 -1.321 -3.635 1.00 0.41 H new ATOM 0 HA CYS A 101 6.172 -2.380 -2.694 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.155 -1.320 -1.359 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.490 0.215 -1.880 1.00 0.57 H new ATOM 0 HG CYS A 101 5.920 -2.092 0.117 1.00 0.95 H new ATOM 1341 N MET A 102 6.345 0.272 -4.583 1.00 0.39 N ATOM 1342 CA MET A 102 5.561 1.234 -5.348 1.00 0.44 C ATOM 1343 C MET A 102 4.489 0.526 -6.171 1.00 0.36 C ATOM 1344 O MET A 102 3.413 1.075 -6.409 1.00 0.39 O ATOM 1345 CB MET A 102 6.467 2.060 -6.259 1.00 0.58 C ATOM 1346 CG MET A 102 6.145 3.547 -6.241 1.00 0.75 C ATOM 1347 SD MET A 102 7.583 4.577 -5.887 1.00 1.02 S ATOM 1348 CE MET A 102 7.274 5.032 -4.182 1.00 1.13 C ATOM 0 H MET A 102 7.341 0.274 -4.801 1.00 0.39 H new ATOM 0 HA MET A 102 5.068 1.905 -4.645 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.504 1.916 -5.955 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.379 1.689 -7.280 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.728 3.834 -7.206 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.376 3.737 -5.492 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.737 5.997 -3.973 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.199 5.101 -4.013 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.698 4.276 -3.521 1.00 1.13 H new ATOM 1358 N GLN A 103 4.787 -0.699 -6.590 1.00 0.34 N ATOM 1359 CA GLN A 103 3.821 -1.521 -7.302 1.00 0.36 C ATOM 1360 C GLN A 103 2.630 -1.833 -6.404 1.00 0.30 C ATOM 1361 O GLN A 103 1.477 -1.751 -6.829 1.00 0.31 O ATOM 1362 CB GLN A 103 4.479 -2.817 -7.775 1.00 0.43 C ATOM 1363 CG GLN A 103 3.551 -3.724 -8.569 1.00 1.36 C ATOM 1364 CD GLN A 103 4.286 -4.880 -9.213 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.399 -4.961 -10.437 1.00 2.70 O ATOM 1366 NE2 GLN A 103 4.799 -5.782 -8.392 1.00 2.96 N ATOM 0 H GLN A 103 5.694 -1.144 -6.447 1.00 0.34 H new ATOM 0 HA GLN A 103 3.467 -0.969 -8.173 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.344 -2.570 -8.390 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.850 -3.363 -6.907 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.775 -4.113 -7.909 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.050 -3.140 -9.341 1.00 1.36 H new ATOM 0 HE21 GLN A 103 4.683 -5.678 -7.384 1.00 2.96 H new ATOM 0 HE22 GLN A 103 5.310 -6.581 -8.767 1.00 2.96 H new ATOM 1375 N ASP A 104 2.916 -2.165 -5.152 1.00 0.30 N ATOM 1376 CA ASP A 104 1.874 -2.487 -4.186 1.00 0.32 C ATOM 1377 C ASP A 104 1.071 -1.236 -3.861 1.00 0.29 C ATOM 1378 O ASP A 104 -0.157 -1.274 -3.793 1.00 0.31 O ATOM 1379 CB ASP A 104 2.480 -3.056 -2.902 1.00 0.48 C ATOM 1380 CG ASP A 104 3.003 -4.470 -3.060 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.850 -5.035 -4.160 1.00 1.09 O ATOM 1382 OD2 ASP A 104 3.552 -5.030 -2.086 1.00 1.87 O ATOM 0 H ASP A 104 3.864 -2.218 -4.781 1.00 0.30 H new ATOM 0 HA ASP A 104 1.219 -3.240 -4.624 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.294 -2.409 -2.575 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.726 -3.041 -2.115 1.00 0.48 H new ATOM 1387 N PHE A 105 1.785 -0.131 -3.674 1.00 0.30 N ATOM 1388 CA PHE A 105 1.168 1.172 -3.436 1.00 0.33 C ATOM 1389 C PHE A 105 0.185 1.509 -4.551 1.00 0.32 C ATOM 1390 O PHE A 105 -0.976 1.834 -4.298 1.00 0.38 O ATOM 1391 CB PHE A 105 2.246 2.257 -3.368 1.00 0.38 C ATOM 1392 CG PHE A 105 2.343 2.951 -2.041 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.330 3.795 -1.614 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.437 2.748 -1.213 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.406 4.425 -0.388 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.518 3.376 0.013 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.542 4.257 0.401 1.00 0.33 C ATOM 0 H PHE A 105 2.805 -0.112 -3.683 1.00 0.30 H new ATOM 0 HA PHE A 105 0.631 1.130 -2.488 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.212 1.808 -3.601 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.045 3.000 -4.140 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.471 3.962 -2.248 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.234 2.092 -1.531 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.591 5.044 -0.043 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.352 3.173 0.668 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.653 4.820 1.316 1.00 0.33 H new ATOM 1407 N ASN A 106 0.660 1.417 -5.790 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.171 1.688 -6.957 1.00 0.34 C ATOM 1409 C ASN A 106 -1.365 0.745 -6.997 1.00 0.32 C ATOM 1410 O ASN A 106 -2.483 1.163 -7.299 1.00 0.38 O ATOM 1411 CB ASN A 106 0.649 1.552 -8.242 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.018 2.220 -9.429 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.410 3.386 -9.364 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.143 1.491 -10.525 1.00 0.97 N ATOM 0 H ASN A 106 1.621 1.156 -6.011 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.539 2.711 -6.882 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.635 1.991 -8.088 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.801 0.495 -8.462 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.577 1.891 -11.357 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.195 0.529 -10.539 1.00 0.97 H new ATOM 1421 N THR A 107 -1.124 -0.520 -6.661 1.00 0.29 N ATOM 1422 CA THR A 107 -2.170 -1.533 -6.647 1.00 0.30 C ATOM 1423 C THR A 107 -3.247 -1.205 -5.610 1.00 0.26 C ATOM 1424 O THR A 107 -4.438 -1.324 -5.886 1.00 0.27 O ATOM 1425 CB THR A 107 -1.579 -2.926 -6.364 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.639 -3.269 -7.391 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.669 -3.984 -6.291 1.00 0.39 C ATOM 0 H THR A 107 -0.203 -0.868 -6.393 1.00 0.29 H new ATOM 0 HA THR A 107 -2.632 -1.539 -7.634 1.00 0.30 H new ATOM 0 HB THR A 107 -1.075 -2.892 -5.398 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.245 -2.918 -7.156 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.219 -4.956 -6.090 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.366 -3.734 -5.491 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.204 -4.021 -7.240 1.00 0.39 H new ATOM 1435 N MET A 108 -2.821 -0.788 -4.424 1.00 0.26 N ATOM 1436 CA MET A 108 -3.745 -0.382 -3.369 1.00 0.26 C ATOM 1437 C MET A 108 -4.719 0.683 -3.879 1.00 0.24 C ATOM 1438 O MET A 108 -5.924 0.611 -3.632 1.00 0.27 O ATOM 1439 CB MET A 108 -2.958 0.145 -2.163 1.00 0.32 C ATOM 1440 CG MET A 108 -3.690 1.201 -1.345 1.00 0.62 C ATOM 1441 SD MET A 108 -2.710 2.695 -1.109 1.00 0.88 S ATOM 1442 CE MET A 108 -3.664 3.524 0.159 1.00 0.83 C ATOM 0 H MET A 108 -1.836 -0.722 -4.167 1.00 0.26 H new ATOM 0 HA MET A 108 -4.327 -1.251 -3.062 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.710 -0.693 -1.512 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.016 0.565 -2.515 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.624 1.459 -1.844 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.952 0.785 -0.372 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.185 4.469 0.415 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.671 3.716 -0.211 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.717 2.892 1.046 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.190 1.658 -4.606 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.007 2.740 -5.130 1.00 0.23 C ATOM 1454 C PHE A 109 -5.908 2.254 -6.264 1.00 0.23 C ATOM 1455 O PHE A 109 -7.079 2.621 -6.328 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.121 3.897 -5.597 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.651 4.771 -4.468 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.561 5.447 -3.669 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.297 4.921 -4.206 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.130 6.256 -2.632 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.861 5.727 -3.172 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.783 6.384 -2.374 1.00 0.22 C ATOM 0 H PHE A 109 -3.200 1.720 -4.845 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.651 3.098 -4.327 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.255 3.495 -6.122 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.674 4.505 -6.313 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.619 5.341 -3.858 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.575 4.401 -4.818 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.849 6.786 -2.026 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.804 5.845 -2.986 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.446 6.996 -1.550 1.00 0.22 H new ATOM 1472 N THR A 110 -5.373 1.408 -7.142 1.00 0.22 N ATOM 1473 CA THR A 110 -6.158 0.893 -8.261 1.00 0.26 C ATOM 1474 C THR A 110 -7.302 0.028 -7.759 1.00 0.25 C ATOM 1475 O THR A 110 -8.420 0.122 -8.252 1.00 0.27 O ATOM 1476 CB THR A 110 -5.307 0.067 -9.246 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.087 -0.349 -8.632 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.997 0.877 -10.490 1.00 0.66 C ATOM 0 H THR A 110 -4.412 1.068 -7.102 1.00 0.22 H new ATOM 0 HA THR A 110 -6.547 1.763 -8.790 1.00 0.26 H new ATOM 0 HB THR A 110 -5.882 -0.815 -9.528 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.492 0.423 -8.532 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.396 0.278 -11.174 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.928 1.162 -10.980 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.444 1.774 -10.212 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.003 -0.801 -6.769 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.996 -1.679 -6.150 1.00 0.27 C ATOM 1488 C ASN A 111 -9.259 -0.908 -5.785 1.00 0.26 C ATOM 1489 O ASN A 111 -10.368 -1.289 -6.171 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.416 -2.333 -4.895 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.608 -3.577 -5.208 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.613 -4.070 -6.337 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.906 -4.092 -4.209 1.00 1.61 N ATOM 0 H ASN A 111 -6.068 -0.887 -6.370 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.257 -2.451 -6.874 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.783 -1.614 -4.374 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.228 -2.593 -4.216 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.342 -4.928 -4.360 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.930 -3.652 -3.289 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.075 0.186 -5.053 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.174 1.056 -4.673 1.00 0.30 C ATOM 1502 C CYS A 112 -10.944 1.555 -5.895 1.00 0.31 C ATOM 1503 O CYS A 112 -12.169 1.507 -5.920 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.642 2.247 -3.873 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.801 2.896 -2.652 1.00 0.63 S ATOM 0 H CYS A 112 -8.164 0.490 -4.710 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.862 0.477 -4.056 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -8.725 1.948 -3.364 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -9.376 3.046 -4.565 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.141 3.400 -1.652 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.219 2.010 -6.912 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.840 2.615 -8.089 1.00 0.36 C ATOM 1513 C TYR A 113 -11.510 1.568 -8.980 1.00 0.41 C ATOM 1514 O TYR A 113 -12.377 1.895 -9.792 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.794 3.382 -8.907 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.142 4.532 -8.168 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.862 5.318 -7.275 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.802 4.832 -8.372 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.262 6.367 -6.607 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.195 5.879 -7.706 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.928 6.643 -6.826 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.322 7.689 -6.167 1.00 0.81 O ATOM 0 H TYR A 113 -9.200 1.972 -6.946 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.608 3.302 -7.732 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.019 2.686 -9.227 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.268 3.768 -9.809 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.906 5.105 -7.101 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.224 4.237 -9.063 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.834 6.969 -5.916 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.151 6.097 -7.875 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.441 7.858 -6.562 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.099 0.314 -8.839 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.610 -0.752 -9.686 1.00 0.43 C ATOM 1534 C ILE A 114 -12.822 -1.424 -9.058 1.00 0.47 C ATOM 1535 O ILE A 114 -13.890 -1.488 -9.667 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.529 -1.817 -9.973 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.428 -1.228 -10.857 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.139 -3.047 -10.640 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.179 -2.079 -10.917 1.00 0.44 C ATOM 0 H ILE A 114 -10.414 0.012 -8.146 1.00 0.37 H new ATOM 0 HA ILE A 114 -11.906 -0.289 -10.627 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.093 -2.125 -9.023 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.816 -1.096 -11.867 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.165 -0.238 -10.484 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.357 -3.782 -10.832 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -11.892 -3.481 -9.983 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.603 -2.757 -11.582 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.442 -1.599 -11.562 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -7.766 -2.190 -9.914 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.427 -3.062 -11.318 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.661 -1.920 -7.839 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.724 -2.673 -7.192 1.00 0.51 C ATOM 1553 C TYR A 115 -14.817 -1.742 -6.682 1.00 0.52 C ATOM 1554 O TYR A 115 -16.007 -2.046 -6.790 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.178 -3.518 -6.036 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.246 -4.347 -5.357 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.643 -5.575 -5.875 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.876 -3.887 -4.205 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.638 -6.316 -5.264 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.865 -4.625 -3.589 1.00 1.03 C ATOM 1561 CZ TYR A 115 -16.243 -5.836 -4.122 1.00 1.04 C ATOM 1562 OH TYR A 115 -17.243 -6.562 -3.516 1.00 1.22 O ATOM 0 H TYR A 115 -11.812 -1.816 -7.283 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.152 -3.342 -7.938 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.397 -4.179 -6.413 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.713 -2.861 -5.301 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.168 -5.955 -6.767 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.585 -2.935 -3.786 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.940 -7.266 -5.679 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.340 -4.254 -2.693 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.533 -7.282 -4.114 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.414 -0.609 -6.136 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.366 0.317 -5.543 1.00 0.41 C ATOM 1574 C ASN A 116 -15.800 1.355 -6.562 1.00 0.45 C ATOM 1575 O ASN A 116 -15.053 1.687 -7.483 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.773 1.009 -4.312 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.282 0.029 -3.266 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.013 -0.872 -2.842 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.044 0.203 -2.831 1.00 0.88 N ATOM 0 H ASN A 116 -13.441 -0.308 -6.090 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.236 -0.258 -5.226 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -13.945 1.646 -4.623 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.527 1.659 -3.868 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.661 -0.420 -2.120 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.473 0.960 -3.207 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.017 1.848 -6.401 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.555 2.866 -7.285 1.00 0.53 C ATOM 1588 C LYS A 117 -16.755 4.161 -7.147 1.00 0.52 C ATOM 1589 O LYS A 117 -16.346 4.521 -6.047 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.027 3.121 -6.949 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.915 3.289 -8.172 1.00 1.20 C ATOM 1592 CD LYS A 117 -21.388 3.179 -7.816 1.00 1.82 C ATOM 1593 CE LYS A 117 -22.038 4.547 -7.694 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.017 5.296 -8.980 1.00 3.47 N ATOM 0 H LYS A 117 -17.654 1.556 -5.660 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.480 2.516 -8.314 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.402 2.291 -6.350 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.100 4.017 -6.333 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.723 4.259 -8.631 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.662 2.530 -8.913 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.905 2.597 -8.579 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.496 2.639 -6.875 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -23.069 4.429 -7.361 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -21.520 5.126 -6.929 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -22.851 5.914 -9.035 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -21.154 5.874 -9.031 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -22.031 4.624 -9.773 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.522 4.884 -8.258 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.797 6.167 -8.239 1.00 0.68 C ATOM 1610 C PRO A 118 -16.483 7.211 -7.354 1.00 0.70 C ATOM 1611 O PRO A 118 -15.902 8.244 -7.025 1.00 0.81 O ATOM 1612 CB PRO A 118 -15.808 6.615 -9.706 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.867 5.802 -10.367 1.00 0.96 C ATOM 1614 CD PRO A 118 -16.914 4.501 -9.625 1.00 0.68 C ATOM 0 HA PRO A 118 -14.795 6.058 -7.825 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.023 7.680 -9.789 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -14.838 6.449 -10.174 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.831 6.309 -10.326 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.636 5.642 -11.420 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -17.910 4.058 -9.650 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.228 3.769 -10.051 1.00 0.68 H new ATOM 1622 N THR A 119 -17.718 6.928 -6.969 1.00 0.67 N ATOM 1623 CA THR A 119 -18.469 7.813 -6.099 1.00 0.77 C ATOM 1624 C THR A 119 -18.678 7.175 -4.724 1.00 0.69 C ATOM 1625 O THR A 119 -19.662 7.461 -4.037 1.00 0.78 O ATOM 1626 CB THR A 119 -19.838 8.146 -6.717 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.118 7.235 -7.789 1.00 0.98 O ATOM 1628 CG2 THR A 119 -19.868 9.575 -7.241 1.00 1.23 C ATOM 0 H THR A 119 -18.222 6.086 -7.249 1.00 0.67 H new ATOM 0 HA THR A 119 -17.893 8.731 -5.983 1.00 0.77 H new ATOM 0 HB THR A 119 -20.597 8.048 -5.941 1.00 0.97 H new ATOM 0 HG1 THR A 119 -20.803 7.620 -8.375 1.00 0.98 H new ATOM 0 HG21 THR A 119 -20.847 9.784 -7.672 1.00 1.23 H new ATOM 0 HG22 THR A 119 -19.678 10.267 -6.421 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.101 9.698 -8.005 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.762 6.288 -4.343 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.834 5.611 -3.052 1.00 0.59 C ATOM 1638 C ASP A 120 -17.136 6.427 -1.976 1.00 0.47 C ATOM 1639 O ASP A 120 -16.272 7.261 -2.268 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.204 4.215 -3.127 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.702 3.289 -2.031 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.245 3.427 -0.877 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.557 2.424 -2.323 1.00 1.19 O ATOM 0 H ASP A 120 -16.959 6.021 -4.912 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.888 5.508 -2.793 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.424 3.773 -4.099 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.120 4.305 -3.056 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.504 6.154 -0.737 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.953 6.846 0.419 1.00 0.51 C ATOM 1650 C ASP A 121 -15.449 6.611 0.519 1.00 0.39 C ATOM 1651 O ASP A 121 -14.677 7.543 0.753 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.644 6.347 1.692 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.223 7.465 2.537 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.532 8.535 1.972 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.343 7.292 3.769 1.00 1.44 O ATOM 0 H ASP A 121 -18.196 5.443 -0.501 1.00 0.52 H new ATOM 0 HA ASP A 121 -17.128 7.916 0.304 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -18.442 5.658 1.417 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.927 5.783 2.289 1.00 0.70 H new ATOM 1660 N ILE A 122 -15.032 5.363 0.310 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.620 5.007 0.406 1.00 0.27 C ATOM 1662 C ILE A 122 -12.824 5.625 -0.741 1.00 0.25 C ATOM 1663 O ILE A 122 -11.685 6.064 -0.560 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.407 3.472 0.423 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.911 3.134 0.476 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.060 2.817 -0.790 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.408 2.815 1.868 1.00 0.42 C ATOM 0 H ILE A 122 -15.649 4.586 0.074 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.257 5.408 1.352 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.883 3.076 1.320 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.717 2.282 -0.175 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.343 3.975 0.078 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.896 1.740 -0.754 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.131 3.022 -0.782 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.621 3.221 -1.702 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.343 2.586 1.827 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.569 3.674 2.519 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.949 1.955 2.262 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.436 5.681 -1.919 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.777 6.231 -3.093 1.00 0.25 C ATOM 1681 C VAL A 123 -12.560 7.730 -2.924 1.00 0.24 C ATOM 1682 O VAL A 123 -11.536 8.277 -3.344 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.591 5.962 -4.378 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.262 6.989 -5.451 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.331 4.550 -4.886 1.00 0.32 C ATOM 0 H VAL A 123 -14.387 5.352 -2.084 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.812 5.734 -3.192 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.650 6.052 -4.138 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.847 6.780 -6.347 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.503 7.987 -5.085 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.200 6.937 -5.691 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.912 4.376 -5.792 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.270 4.432 -5.107 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.625 3.829 -4.123 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.525 8.386 -2.291 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.433 9.815 -2.030 1.00 0.31 C ATOM 1697 C LEU A 124 -12.201 10.115 -1.188 1.00 0.29 C ATOM 1698 O LEU A 124 -11.557 11.155 -1.351 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.691 10.311 -1.315 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.577 11.248 -2.136 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.957 11.361 -1.507 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.932 12.619 -2.262 1.00 0.49 C ATOM 0 H LEU A 124 -14.381 7.949 -1.949 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.347 10.337 -2.983 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.283 9.447 -1.014 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.392 10.826 -0.402 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.688 10.829 -3.136 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.575 12.032 -2.104 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.422 10.376 -1.470 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.865 11.757 -0.496 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.577 13.272 -2.850 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.790 13.047 -1.270 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.966 12.522 -2.757 1.00 0.49 H new ATOM 1714 N MET A 125 -11.865 9.185 -0.304 1.00 0.25 N ATOM 1715 CA MET A 125 -10.703 9.331 0.553 1.00 0.26 C ATOM 1716 C MET A 125 -9.429 8.980 -0.204 1.00 0.24 C ATOM 1717 O MET A 125 -8.426 9.682 -0.099 1.00 0.25 O ATOM 1718 CB MET A 125 -10.833 8.450 1.799 1.00 0.35 C ATOM 1719 CG MET A 125 -12.075 8.738 2.625 1.00 0.62 C ATOM 1720 SD MET A 125 -12.376 7.487 3.887 1.00 0.54 S ATOM 1721 CE MET A 125 -13.163 8.480 5.149 1.00 0.62 C ATOM 0 H MET A 125 -12.385 8.319 -0.164 1.00 0.25 H new ATOM 0 HA MET A 125 -10.647 10.373 0.868 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.845 7.404 1.493 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.951 8.589 2.425 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.971 9.712 3.102 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.940 8.797 1.964 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.446 7.845 5.988 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.470 9.248 5.493 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.054 8.954 4.736 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.488 7.899 -0.977 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.337 7.427 -1.745 1.00 0.27 C ATOM 1733 C ALA A 126 -7.773 8.521 -2.650 1.00 0.25 C ATOM 1734 O ALA A 126 -6.560 8.636 -2.820 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.721 6.205 -2.565 1.00 0.31 C ATOM 0 H ALA A 126 -10.327 7.329 -1.089 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.555 7.152 -1.038 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.856 5.862 -3.133 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -9.056 5.410 -1.899 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.526 6.466 -3.252 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.662 9.336 -3.208 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.258 10.424 -4.090 1.00 0.30 C ATOM 1743 C GLN A 127 -7.387 11.438 -3.348 1.00 0.28 C ATOM 1744 O GLN A 127 -6.396 11.932 -3.888 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.490 11.116 -4.675 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.907 10.568 -6.031 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.372 10.818 -6.342 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.707 11.556 -7.272 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.255 10.200 -5.574 1.00 1.62 N ATOM 0 H GLN A 127 -9.669 9.263 -3.064 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.669 10.000 -4.903 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.321 11.010 -3.978 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.287 12.183 -4.770 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.293 11.025 -6.807 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.712 9.496 -6.060 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.937 9.598 -4.815 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -13.253 10.326 -5.742 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.758 11.740 -2.109 1.00 0.27 N ATOM 1759 CA ALA A 128 -7.001 12.678 -1.289 1.00 0.28 C ATOM 1760 C ALA A 128 -5.717 12.029 -0.781 1.00 0.24 C ATOM 1761 O ALA A 128 -4.666 12.668 -0.711 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.850 13.164 -0.122 1.00 0.32 C ATOM 0 H ALA A 128 -8.580 11.348 -1.650 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.732 13.537 -1.904 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.272 13.864 0.482 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.741 13.663 -0.503 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.146 12.313 0.492 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.820 10.746 -0.445 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.685 9.963 0.041 1.00 0.17 C ATOM 1770 C LEU A 129 -3.562 9.947 -0.995 1.00 0.17 C ATOM 1771 O LEU A 129 -2.381 10.052 -0.658 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.137 8.524 0.325 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.638 8.225 1.746 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.392 9.408 2.328 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.524 6.989 1.737 1.00 0.33 C ATOM 0 H LEU A 129 -6.692 10.219 -0.502 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.312 10.421 0.957 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.933 8.273 -0.376 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.302 7.857 0.111 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.769 8.039 2.378 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.733 9.163 3.334 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.733 10.275 2.369 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.252 9.636 1.699 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.874 6.785 2.749 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.380 7.160 1.084 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.954 6.135 1.372 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.952 9.837 -2.260 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.007 9.744 -3.369 1.00 0.22 C ATOM 1789 C GLU A 130 -2.123 10.986 -3.476 1.00 0.20 C ATOM 1790 O GLU A 130 -1.004 10.916 -3.990 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.765 9.536 -4.683 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.149 8.479 -5.583 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.648 8.570 -7.009 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.812 8.195 -7.262 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -2.883 9.020 -7.888 1.00 1.47 O ATOM 0 H GLU A 130 -4.931 9.810 -2.546 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.357 8.891 -3.175 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.794 9.254 -4.458 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.805 10.482 -5.223 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.064 8.586 -5.574 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.376 7.490 -5.185 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.613 12.114 -2.974 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.888 13.370 -3.079 1.00 0.28 C ATOM 1804 C LYS A 131 -0.609 13.315 -2.258 1.00 0.25 C ATOM 1805 O LYS A 131 0.435 13.795 -2.689 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.761 14.533 -2.610 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.067 15.549 -3.704 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.482 15.387 -4.243 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.522 15.869 -3.241 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.566 17.354 -3.147 1.00 2.24 N ATOM 0 H LYS A 131 -3.509 12.182 -2.491 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.627 13.528 -4.125 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.699 14.138 -2.221 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.262 15.040 -1.784 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -2.941 16.557 -3.310 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.352 15.433 -4.518 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.584 15.947 -5.172 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.664 14.339 -4.481 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.504 15.496 -3.531 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -5.299 15.451 -2.259 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.375 17.641 -2.559 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -4.685 17.701 -2.717 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.669 17.759 -4.099 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.695 12.698 -1.082 1.00 0.28 N ATOM 1825 CA ILE A 132 0.453 12.586 -0.195 1.00 0.33 C ATOM 1826 C ILE A 132 1.482 11.628 -0.777 1.00 0.26 C ATOM 1827 O ILE A 132 2.686 11.785 -0.564 1.00 0.29 O ATOM 1828 CB ILE A 132 0.050 12.093 1.212 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.244 12.767 1.669 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.172 12.361 2.210 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.729 12.280 3.013 1.00 0.59 C ATOM 0 H ILE A 132 -1.548 12.269 -0.724 1.00 0.28 H new ATOM 0 HA ILE A 132 0.881 13.584 -0.102 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.123 11.018 1.164 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.087 13.845 1.716 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.020 12.590 0.925 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.873 12.008 3.197 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.073 11.835 1.894 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.373 13.431 2.253 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.651 12.799 3.277 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.917 11.207 2.965 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.970 12.482 3.769 1.00 0.59 H new ATOM 1843 N PHE A 133 0.997 10.639 -1.521 1.00 0.25 N ATOM 1844 CA PHE A 133 1.866 9.659 -2.148 1.00 0.28 C ATOM 1845 C PHE A 133 2.841 10.342 -3.100 1.00 0.26 C ATOM 1846 O PHE A 133 4.047 10.335 -2.868 1.00 0.28 O ATOM 1847 CB PHE A 133 1.038 8.612 -2.902 1.00 0.34 C ATOM 1848 CG PHE A 133 1.877 7.641 -3.677 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.710 6.747 -3.023 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.819 7.613 -5.058 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.470 5.843 -3.737 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.578 6.713 -5.776 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.453 5.862 -5.104 1.00 0.44 C ATOM 0 H PHE A 133 0.003 10.498 -1.703 1.00 0.25 H new ATOM 0 HA PHE A 133 2.436 9.157 -1.366 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.423 8.063 -2.189 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.357 9.120 -3.585 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.765 6.758 -1.944 1.00 0.36 H new ATOM 0 HD2 PHE A 133 1.173 8.303 -5.580 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.079 5.120 -3.215 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.495 6.668 -6.852 1.00 0.46 H new ATOM 0 HZ PHE A 133 4.117 5.218 -5.662 1.00 0.44 H new ATOM 1863 N LEU A 134 2.312 10.980 -4.139 1.00 0.27 N ATOM 1864 CA LEU A 134 3.150 11.627 -5.146 1.00 0.34 C ATOM 1865 C LEU A 134 3.936 12.779 -4.532 1.00 0.34 C ATOM 1866 O LEU A 134 5.055 13.077 -4.952 1.00 0.43 O ATOM 1867 CB LEU A 134 2.305 12.131 -6.325 1.00 0.42 C ATOM 1868 CG LEU A 134 1.069 12.959 -5.951 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.310 14.435 -6.233 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.152 12.464 -6.710 1.00 0.59 C ATOM 0 H LEU A 134 1.309 11.064 -4.307 1.00 0.27 H new ATOM 0 HA LEU A 134 3.854 10.884 -5.522 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.941 12.734 -6.973 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.980 11.270 -6.909 1.00 0.42 H new ATOM 0 HG LEU A 134 0.884 12.839 -4.884 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.423 15.007 -5.962 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.160 14.784 -5.646 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.520 14.573 -7.294 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.020 13.062 -6.433 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.024 12.555 -7.782 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.337 11.419 -6.460 1.00 0.59 H new ATOM 1882 N GLN A 135 3.347 13.394 -3.516 1.00 0.29 N ATOM 1883 CA GLN A 135 3.962 14.507 -2.815 1.00 0.35 C ATOM 1884 C GLN A 135 5.322 14.121 -2.252 1.00 0.36 C ATOM 1885 O GLN A 135 6.304 14.843 -2.423 1.00 0.55 O ATOM 1886 CB GLN A 135 3.048 14.954 -1.679 1.00 0.37 C ATOM 1887 CG GLN A 135 2.686 16.423 -1.737 1.00 0.51 C ATOM 1888 CD GLN A 135 3.787 17.306 -1.185 1.00 1.06 C ATOM 1889 OE1 GLN A 135 4.061 17.299 0.018 1.00 1.43 O ATOM 1890 NE2 GLN A 135 4.437 18.056 -2.059 1.00 1.61 N ATOM 0 H GLN A 135 2.429 13.134 -3.156 1.00 0.29 H new ATOM 0 HA GLN A 135 4.107 15.322 -3.524 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.134 14.361 -1.705 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.536 14.746 -0.727 1.00 0.37 H new ATOM 0 HG2 GLN A 135 2.480 16.704 -2.770 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.769 16.592 -1.172 1.00 0.51 H new ATOM 0 HE21 GLN A 135 4.177 18.031 -3.045 1.00 1.61 H new ATOM 0 HE22 GLN A 135 5.198 18.659 -1.747 1.00 1.61 H new ATOM 1899 N LYS A 136 5.371 12.974 -1.594 1.00 0.25 N ATOM 1900 CA LYS A 136 6.584 12.519 -0.936 1.00 0.26 C ATOM 1901 C LYS A 136 7.450 11.696 -1.886 1.00 0.23 C ATOM 1902 O LYS A 136 8.644 11.518 -1.655 1.00 0.25 O ATOM 1903 CB LYS A 136 6.225 11.710 0.310 1.00 0.32 C ATOM 1904 CG LYS A 136 6.202 12.538 1.587 1.00 0.54 C ATOM 1905 CD LYS A 136 4.870 13.250 1.771 1.00 0.50 C ATOM 1906 CE LYS A 136 5.012 14.504 2.622 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.445 15.684 1.823 1.00 1.52 N ATOM 0 H LYS A 136 4.579 12.338 -1.501 1.00 0.25 H new ATOM 0 HA LYS A 136 7.164 13.392 -0.636 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.247 11.252 0.166 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.943 10.898 0.426 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.390 11.891 2.444 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.007 13.273 1.559 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.463 13.517 0.796 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.157 12.572 2.239 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.059 14.724 3.103 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.735 14.321 3.417 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.896 16.381 2.450 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.125 15.381 1.097 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.617 16.115 1.364 1.00 1.52 H new ATOM 1921 N VAL A 137 6.845 11.206 -2.962 1.00 0.23 N ATOM 1922 CA VAL A 137 7.575 10.456 -3.975 1.00 0.25 C ATOM 1923 C VAL A 137 8.458 11.401 -4.779 1.00 0.30 C ATOM 1924 O VAL A 137 9.547 11.031 -5.222 1.00 0.33 O ATOM 1925 CB VAL A 137 6.619 9.685 -4.919 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.342 9.176 -6.157 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.972 8.528 -4.182 1.00 0.33 C ATOM 0 H VAL A 137 5.849 11.315 -3.155 1.00 0.23 H new ATOM 0 HA VAL A 137 8.197 9.720 -3.465 1.00 0.25 H new ATOM 0 HB VAL A 137 5.846 10.381 -5.246 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.639 8.641 -6.795 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.761 10.019 -6.706 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.146 8.503 -5.858 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.303 7.995 -4.857 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.744 7.847 -3.824 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.403 8.909 -3.334 1.00 0.33 H new ATOM 1937 N ALA A 138 7.987 12.633 -4.930 1.00 0.34 N ATOM 1938 CA ALA A 138 8.751 13.676 -5.597 1.00 0.43 C ATOM 1939 C ALA A 138 10.059 13.928 -4.869 1.00 0.43 C ATOM 1940 O ALA A 138 11.056 14.340 -5.462 1.00 0.50 O ATOM 1941 CB ALA A 138 7.941 14.958 -5.637 1.00 0.50 C ATOM 0 H ALA A 138 7.072 12.934 -4.596 1.00 0.34 H new ATOM 0 HA ALA A 138 8.971 13.348 -6.613 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.517 15.737 -6.137 1.00 0.50 H new ATOM 0 HB2 ALA A 138 7.013 14.785 -6.183 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.710 15.274 -4.620 1.00 0.50 H new ATOM 1947 N GLN A 139 10.042 13.654 -3.579 1.00 0.39 N ATOM 1948 CA GLN A 139 11.155 13.968 -2.713 1.00 0.43 C ATOM 1949 C GLN A 139 12.129 12.803 -2.628 1.00 0.40 C ATOM 1950 O GLN A 139 13.216 12.930 -2.063 1.00 0.45 O ATOM 1951 CB GLN A 139 10.632 14.315 -1.323 1.00 0.45 C ATOM 1952 CG GLN A 139 9.328 15.098 -1.338 1.00 0.54 C ATOM 1953 CD GLN A 139 8.831 15.413 0.056 1.00 1.08 C ATOM 1954 OE1 GLN A 139 7.637 15.335 0.341 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.750 15.770 0.929 1.00 1.56 N ATOM 0 H GLN A 139 9.256 13.208 -3.105 1.00 0.39 H new ATOM 0 HA GLN A 139 11.689 14.822 -3.129 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.486 13.394 -0.759 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.388 14.896 -0.795 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.471 16.028 -1.889 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.569 14.525 -1.871 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.729 15.821 0.647 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.483 15.996 1.887 1.00 1.56 H new ATOM 1964 N MET A 140 11.730 11.668 -3.182 1.00 0.35 N ATOM 1965 CA MET A 140 12.554 10.466 -3.135 1.00 0.35 C ATOM 1966 C MET A 140 13.854 10.657 -3.916 1.00 0.40 C ATOM 1967 O MET A 140 13.875 11.340 -4.943 1.00 0.48 O ATOM 1968 CB MET A 140 11.782 9.272 -3.695 1.00 0.38 C ATOM 1969 CG MET A 140 10.735 8.727 -2.742 1.00 0.66 C ATOM 1970 SD MET A 140 11.039 7.014 -2.287 1.00 0.86 S ATOM 1971 CE MET A 140 10.593 6.194 -3.812 1.00 0.67 C ATOM 0 H MET A 140 10.842 11.552 -3.669 1.00 0.35 H new ATOM 0 HA MET A 140 12.806 10.273 -2.092 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.296 9.567 -4.625 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.486 8.477 -3.941 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.715 9.340 -1.841 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.751 8.807 -3.204 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.145 5.226 -3.587 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.877 6.807 -4.359 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.485 6.048 -4.421 1.00 0.67 H new ATOM 1981 N PRO A 141 14.960 10.063 -3.436 1.00 0.42 N ATOM 1982 CA PRO A 141 16.252 10.145 -4.115 1.00 0.52 C ATOM 1983 C PRO A 141 16.251 9.338 -5.407 1.00 0.61 C ATOM 1984 O PRO A 141 16.293 8.106 -5.379 1.00 0.67 O ATOM 1985 CB PRO A 141 17.225 9.536 -3.104 1.00 0.55 C ATOM 1986 CG PRO A 141 16.397 8.609 -2.289 1.00 0.53 C ATOM 1987 CD PRO A 141 15.036 9.252 -2.202 1.00 0.46 C ATOM 0 HA PRO A 141 16.509 11.164 -4.402 1.00 0.52 H new ATOM 0 HB2 PRO A 141 18.035 9.006 -3.605 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.684 10.306 -2.483 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.337 7.625 -2.754 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.828 8.467 -1.298 1.00 0.53 H new ATOM 0 HD2 PRO A 141 14.242 8.507 -2.161 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.940 9.869 -1.309 1.00 0.46 H new ATOM 1995 N GLN A 142 16.230 10.026 -6.540 1.00 0.76 N ATOM 1996 CA GLN A 142 16.083 9.364 -7.835 1.00 0.94 C ATOM 1997 C GLN A 142 17.382 8.680 -8.274 1.00 0.93 C ATOM 1998 O GLN A 142 17.659 8.539 -9.465 1.00 1.17 O ATOM 1999 CB GLN A 142 15.610 10.364 -8.892 1.00 1.21 C ATOM 2000 CG GLN A 142 14.141 10.202 -9.257 1.00 1.60 C ATOM 2001 CD GLN A 142 13.303 11.424 -8.919 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.714 12.047 -9.800 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.226 11.770 -7.641 1.00 2.91 N ATOM 0 H GLN A 142 16.313 11.041 -6.592 1.00 0.76 H new ATOM 0 HA GLN A 142 15.328 8.585 -7.727 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.777 11.377 -8.525 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.216 10.247 -9.790 1.00 1.21 H new ATOM 0 HG2 GLN A 142 14.059 9.997 -10.324 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.736 9.336 -8.734 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.728 11.231 -6.936 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.665 12.575 -7.364 1.00 2.91 H new ATOM 2012 N GLU A 143 18.166 8.252 -7.297 1.00 0.80 N ATOM 2013 CA GLU A 143 19.369 7.488 -7.541 1.00 0.91 C ATOM 2014 C GLU A 143 19.130 6.032 -7.183 1.00 0.87 C ATOM 2015 O GLU A 143 19.589 5.123 -7.874 1.00 1.20 O ATOM 2016 CB GLU A 143 20.507 8.013 -6.681 1.00 1.04 C ATOM 2017 CG GLU A 143 20.727 9.509 -6.775 1.00 1.22 C ATOM 2018 CD GLU A 143 21.621 10.015 -5.665 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.843 9.776 -5.728 1.00 2.30 O ATOM 2020 OE2 GLU A 143 21.106 10.640 -4.713 1.00 2.70 O ATOM 0 H GLU A 143 17.981 8.428 -6.310 1.00 0.80 H new ATOM 0 HA GLU A 143 19.631 7.581 -8.595 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.310 7.752 -5.641 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.427 7.504 -6.968 1.00 1.04 H new ATOM 0 HG2 GLU A 143 21.173 9.751 -7.740 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.766 10.021 -6.730 1.00 1.22 H new ATOM 2027 N GLU A 144 18.402 5.839 -6.082 1.00 0.77 N ATOM 2028 CA GLU A 144 18.165 4.518 -5.510 1.00 0.77 C ATOM 2029 C GLU A 144 19.488 3.904 -5.059 1.00 0.82 C ATOM 2030 O GLU A 144 20.013 2.984 -5.685 1.00 1.16 O ATOM 2031 CB GLU A 144 17.451 3.598 -6.508 1.00 0.82 C ATOM 2032 CG GLU A 144 16.575 2.543 -5.853 1.00 1.04 C ATOM 2033 CD GLU A 144 15.888 1.653 -6.864 1.00 1.58 C ATOM 2034 OE1 GLU A 144 15.355 2.188 -7.858 1.00 2.34 O ATOM 2035 OE2 GLU A 144 15.878 0.423 -6.672 1.00 1.87 O ATOM 0 H GLU A 144 17.960 6.598 -5.563 1.00 0.77 H new ATOM 0 HA GLU A 144 17.512 4.630 -4.644 1.00 0.77 H new ATOM 0 HB2 GLU A 144 16.836 4.206 -7.172 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.197 3.102 -7.129 1.00 0.82 H new ATOM 0 HG2 GLU A 144 17.185 1.930 -5.189 1.00 1.04 H new ATOM 0 HG3 GLU A 144 15.823 3.033 -5.234 1.00 1.04 H new ATOM 2042 N VAL A 145 20.019 4.425 -3.963 1.00 0.63 N ATOM 2043 CA VAL A 145 21.316 3.996 -3.468 1.00 0.68 C ATOM 2044 C VAL A 145 21.140 2.830 -2.514 1.00 0.61 C ATOM 2045 O VAL A 145 20.417 2.941 -1.527 1.00 0.61 O ATOM 2046 CB VAL A 145 22.059 5.135 -2.737 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.562 4.934 -2.826 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.666 6.498 -3.295 1.00 0.88 C ATOM 0 H VAL A 145 19.570 5.147 -3.399 1.00 0.63 H new ATOM 0 HA VAL A 145 21.913 3.697 -4.330 1.00 0.68 H new ATOM 0 HB VAL A 145 21.766 5.107 -1.687 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.069 5.746 -2.305 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.830 3.984 -2.364 1.00 0.99 H new ATOM 0 HG13 VAL A 145 23.867 4.928 -3.872 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.206 7.280 -2.760 1.00 0.88 H new ATOM 0 HG22 VAL A 145 21.917 6.544 -4.355 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.593 6.647 -3.170 1.00 0.88 H new ATOM 2058 N GLU A 146 21.772 1.709 -2.821 1.00 0.66 N ATOM 2059 CA GLU A 146 21.658 0.529 -1.983 1.00 0.68 C ATOM 2060 C GLU A 146 22.396 0.731 -0.665 1.00 0.72 C ATOM 2061 O GLU A 146 23.411 1.430 -0.611 1.00 0.75 O ATOM 2062 CB GLU A 146 22.204 -0.696 -2.706 1.00 0.79 C ATOM 2063 CG GLU A 146 21.469 -1.979 -2.360 1.00 1.00 C ATOM 2064 CD GLU A 146 21.858 -3.129 -3.262 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.895 -3.033 -3.943 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.118 -4.129 -3.306 1.00 1.24 O ATOM 0 H GLU A 146 22.367 1.592 -3.641 1.00 0.66 H new ATOM 0 HA GLU A 146 20.602 0.367 -1.769 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.144 -0.530 -3.782 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.259 -0.813 -2.460 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.679 -2.246 -1.324 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.395 -1.810 -2.434 1.00 1.00 H new ATOM 2073 N LEU A 147 21.878 0.123 0.387 1.00 0.76 N ATOM 2074 CA LEU A 147 22.462 0.248 1.707 1.00 0.86 C ATOM 2075 C LEU A 147 23.284 -0.993 2.040 1.00 1.01 C ATOM 2076 O LEU A 147 23.947 -1.534 1.128 1.00 1.57 O ATOM 2077 CB LEU A 147 21.366 0.445 2.759 1.00 0.86 C ATOM 2078 CG LEU A 147 20.552 1.734 2.632 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.304 1.652 3.496 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.393 2.939 3.023 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.259 -1.430 3.210 1.00 1.46 O ATOM 0 H LEU A 147 21.047 -0.467 0.350 1.00 0.76 H new ATOM 0 HA LEU A 147 23.117 1.119 1.714 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.682 -0.402 2.708 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.827 0.423 3.746 1.00 0.86 H new ATOM 0 HG LEU A 147 20.249 1.853 1.592 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.732 2.575 3.398 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.692 0.810 3.172 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.591 1.512 4.538 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.796 3.846 2.926 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.725 2.832 4.056 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.262 3.004 2.368 1.00 0.82 H new