USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1248 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 143 THR OG1 : rot -35:sc= 0.15 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= 0.00144 USER MOD Set 2.1: A 103 GLN : amide:sc= 0.0302 X(o=-2.2,f=-2.4) USER MOD Set 2.2: A 117 GLN : amide:sc= -1.3 K(o=-2.2,f=-6.7!) USER MOD Set 2.3: A 118 MET CE :methyl -120:sc= -0.904 (180deg=0) USER MOD Set 3.1: A 80 ASN : amide:sc= 0.109 X(o=0.23,f=0) USER MOD Set 3.2: A 83 THR OG1 : rot 122:sc= 0.117 USER MOD Set 4.1: A 44 THR OG1 : rot 30:sc= 0.851 USER MOD Set 4.2: A 48 SER OG : rot -110:sc= -1.34! USER MOD Set 5.1: A 21 THR OG1 : rot -170:sc= 0.665 USER MOD Set 5.2: A 23 SER OG : rot -31:sc= 0.468 USER MOD Set 5.3: A 132 LYS NZ :NH3+ -152:sc= -0.0365 (180deg=-0.324) USER MOD Set 6.1: A 22 SER OG : rot 110:sc= -2.53 USER MOD Set 6.2: A 130 LYS NZ :NH3+ -129:sc= -0.699 (180deg=-1.79) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3 K(o=-3,f=-10!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.51) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.12! C(o=-1.1!,f=-5.7!) USER MOD Single : A 50 MET CE :methyl -147:sc= -0.79 (180deg=-3.41!) USER MOD Single : A 62 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.018) USER MOD Single : A 64 ASN : amide:sc= -0.83 K(o=-0.83,f=-1.9) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.247 (180deg=0.105) USER MOD Single : A 68 MET CE :methyl -123:sc= -3.98! (180deg=-5.37!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.31) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 101 TYR OH : rot 123:sc= -1.92! USER MOD Single : A 104 ASN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 109 SER OG : rot 180:sc= -2.24 USER MOD Single : A 112 GLN : amide:sc= -3.6! X(o=-3.6!,f=-3.8) USER MOD Single : A 119 SER OG : rot 170:sc= 0 USER MOD Single : A 120 THR OG1 : rot -20:sc= -2.73! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.9!) USER MOD Single : A 129 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.365) USER MOD Single : A 133 ASN : amide:sc= -0.483 K(o=-0.48,f=-4!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 139 THR OG1 : rot -160:sc= -2.62! USER MOD Single : A 145 ASN : amide:sc= -4.89! K(o=-4.9!,f=-1.4) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= -0.409 K(o=-0.41,f=-3.4!) USER MOD Single : A 155 GLN : amide:sc= -0.014 K(o=-0.014,f=-2.6!) USER MOD Single : A 156 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.56) USER MOD Single : A 157 GLN : amide:sc= -0.329 K(o=-0.33,f=-3.6!) USER MOD Single : A 160 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2!) USER MOD Single : A 162 MET CE :methyl 134:sc= -8.98! (180deg=-13.4!) USER MOD Single : A 163 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 164 THR OG1 : rot 180:sc= -2.08 USER MOD Single : A 165 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot -100:sc= -2.25! USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 SER OG : rot -56:sc= 0.792 USER MOD Single : A 184 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.1) USER MOD Single : A 185 MET CE :methyl -111:sc= -1.12 (180deg=-5.78!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.243 10.234 2.723 1.00 2.23 N ATOM 21 CA THR A 21 20.770 9.254 1.731 1.00 2.22 C ATOM 22 C THR A 21 19.675 8.919 0.718 1.00 1.90 C ATOM 23 O THR A 21 18.624 9.528 0.702 1.00 1.53 O ATOM 24 CB THR A 21 21.205 7.975 2.454 1.00 2.31 C ATOM 25 OG1 THR A 21 20.056 7.200 2.772 1.00 3.19 O ATOM 26 CG2 THR A 21 21.950 8.334 3.740 1.00 2.53 C ATOM 0 HA THR A 21 21.627 9.686 1.214 1.00 2.22 H new ATOM 0 HB THR A 21 21.867 7.401 1.805 1.00 2.31 H new ATOM 0 HG1 THR A 21 20.312 6.466 3.369 1.00 3.19 H new ATOM 0 HG21 THR A 21 22.257 7.421 4.250 1.00 2.53 H new ATOM 0 HG22 THR A 21 22.831 8.927 3.496 1.00 2.53 H new ATOM 0 HG23 THR A 21 21.294 8.910 4.392 1.00 2.53 H new ATOM 34 N SER A 22 19.911 7.951 -0.126 1.00 2.07 N ATOM 35 CA SER A 22 18.880 7.575 -1.133 1.00 1.82 C ATOM 36 C SER A 22 17.668 6.981 -0.414 1.00 1.54 C ATOM 37 O SER A 22 16.534 7.264 -0.747 1.00 1.33 O ATOM 38 CB SER A 22 19.463 6.538 -2.094 1.00 1.88 C ATOM 39 OG SER A 22 18.930 6.752 -3.394 1.00 1.38 O ATOM 0 H SER A 22 20.772 7.406 -0.161 1.00 2.07 H new ATOM 0 HA SER A 22 18.575 8.458 -1.695 1.00 1.82 H new ATOM 0 HB2 SER A 22 20.550 6.616 -2.116 1.00 1.88 H new ATOM 0 HB3 SER A 22 19.223 5.532 -1.751 1.00 1.88 H new ATOM 0 HG SER A 22 19.633 7.096 -3.983 1.00 1.38 H new ATOM 45 N SER A 23 17.901 6.159 0.572 1.00 1.60 N ATOM 46 CA SER A 23 16.764 5.545 1.314 1.00 1.44 C ATOM 47 C SER A 23 15.991 6.640 2.052 1.00 1.42 C ATOM 48 O SER A 23 14.789 6.563 2.207 1.00 1.35 O ATOM 49 CB SER A 23 17.301 4.524 2.318 1.00 1.67 C ATOM 50 OG SER A 23 18.179 5.174 3.228 1.00 1.52 O ATOM 0 H SER A 23 18.829 5.886 0.896 1.00 1.60 H new ATOM 0 HA SER A 23 16.098 5.042 0.613 1.00 1.44 H new ATOM 0 HB2 SER A 23 16.476 4.061 2.859 1.00 1.67 H new ATOM 0 HB3 SER A 23 17.827 3.725 1.795 1.00 1.67 H new ATOM 0 HG SER A 23 18.632 5.915 2.773 1.00 1.52 H new ATOM 56 N GLU A 24 16.662 7.666 2.504 1.00 1.49 N ATOM 57 CA GLU A 24 15.937 8.757 3.215 1.00 1.49 C ATOM 58 C GLU A 24 14.975 9.424 2.231 1.00 1.31 C ATOM 59 O GLU A 24 13.837 9.701 2.550 1.00 1.32 O ATOM 60 CB GLU A 24 16.940 9.789 3.737 1.00 1.69 C ATOM 61 CG GLU A 24 17.077 9.646 5.254 1.00 2.28 C ATOM 62 CD GLU A 24 15.742 9.982 5.919 1.00 2.57 C ATOM 63 OE1 GLU A 24 15.217 11.049 5.645 1.00 2.27 O ATOM 64 OE2 GLU A 24 15.265 9.168 6.692 1.00 3.50 O ATOM 0 H GLU A 24 17.670 7.795 2.413 1.00 1.49 H new ATOM 0 HA GLU A 24 15.382 8.347 4.059 1.00 1.49 H new ATOM 0 HB2 GLU A 24 17.909 9.645 3.259 1.00 1.69 H new ATOM 0 HB3 GLU A 24 16.607 10.796 3.485 1.00 1.69 H new ATOM 0 HG2 GLU A 24 17.377 8.630 5.509 1.00 2.28 H new ATOM 0 HG3 GLU A 24 17.858 10.311 5.624 1.00 2.28 H new ATOM 71 N ARG A 25 15.416 9.669 1.027 1.00 1.21 N ATOM 72 CA ARG A 25 14.511 10.299 0.028 1.00 1.12 C ATOM 73 C ARG A 25 13.328 9.360 -0.209 1.00 0.90 C ATOM 74 O ARG A 25 12.224 9.790 -0.477 1.00 0.81 O ATOM 75 CB ARG A 25 15.264 10.523 -1.286 1.00 1.24 C ATOM 76 CG ARG A 25 14.540 11.587 -2.114 1.00 0.84 C ATOM 77 CD ARG A 25 14.882 12.977 -1.573 1.00 1.67 C ATOM 78 NE ARG A 25 16.163 13.443 -2.176 1.00 1.90 N ATOM 79 CZ ARG A 25 16.494 14.704 -2.111 1.00 2.65 C ATOM 80 NH1 ARG A 25 16.201 15.402 -1.049 1.00 3.86 N ATOM 81 NH2 ARG A 25 17.121 15.268 -3.108 1.00 2.39 N ATOM 0 H ARG A 25 16.358 9.461 0.695 1.00 1.21 H new ATOM 0 HA ARG A 25 14.158 11.262 0.397 1.00 1.12 H new ATOM 0 HB2 ARG A 25 16.287 10.840 -1.082 1.00 1.24 H new ATOM 0 HB3 ARG A 25 15.325 9.590 -1.846 1.00 1.24 H new ATOM 0 HG2 ARG A 25 14.834 11.510 -3.161 1.00 0.84 H new ATOM 0 HG3 ARG A 25 13.463 11.424 -2.073 1.00 0.84 H new ATOM 0 HD2 ARG A 25 14.081 13.678 -1.808 1.00 1.67 H new ATOM 0 HD3 ARG A 25 14.969 12.945 -0.487 1.00 1.67 H new ATOM 0 HE ARG A 25 16.781 12.777 -2.639 1.00 1.90 H new ATOM 0 HH11 ARG A 25 15.713 14.963 -0.269 1.00 3.86 H new ATOM 0 HH12 ARG A 25 16.460 16.387 -0.999 1.00 3.86 H new ATOM 0 HH21 ARG A 25 17.353 14.723 -3.939 1.00 2.39 H new ATOM 0 HH22 ARG A 25 17.379 16.253 -3.056 1.00 2.39 H new ATOM 95 N ILE A 26 13.552 8.077 -0.096 1.00 0.85 N ATOM 96 CA ILE A 26 12.442 7.105 -0.297 1.00 0.68 C ATOM 97 C ILE A 26 11.378 7.351 0.780 1.00 0.53 C ATOM 98 O ILE A 26 10.198 7.406 0.497 1.00 0.34 O ATOM 99 CB ILE A 26 12.993 5.671 -0.178 1.00 0.73 C ATOM 100 CG1 ILE A 26 13.900 5.368 -1.380 1.00 0.96 C ATOM 101 CG2 ILE A 26 11.845 4.653 -0.139 1.00 0.61 C ATOM 102 CD1 ILE A 26 13.083 5.381 -2.679 1.00 0.43 C ATOM 0 H ILE A 26 14.457 7.662 0.127 1.00 0.85 H new ATOM 0 HA ILE A 26 12.000 7.232 -1.285 1.00 0.68 H new ATOM 0 HB ILE A 26 13.564 5.593 0.747 1.00 0.73 H new ATOM 0 HG12 ILE A 26 14.699 6.107 -1.437 1.00 0.96 H new ATOM 0 HG13 ILE A 26 14.375 4.395 -1.250 1.00 0.96 H new ATOM 0 HG21 ILE A 26 12.254 3.646 -0.055 1.00 0.61 H new ATOM 0 HG22 ILE A 26 11.206 4.858 0.720 1.00 0.61 H new ATOM 0 HG23 ILE A 26 11.258 4.731 -1.054 1.00 0.61 H new ATOM 0 HD11 ILE A 26 13.738 5.165 -3.523 1.00 0.43 H new ATOM 0 HD12 ILE A 26 12.300 4.624 -2.624 1.00 0.43 H new ATOM 0 HD13 ILE A 26 12.630 6.363 -2.814 1.00 0.43 H new ATOM 114 N ASP A 27 11.789 7.495 2.012 1.00 0.70 N ATOM 115 CA ASP A 27 10.802 7.729 3.105 1.00 0.63 C ATOM 116 C ASP A 27 10.036 9.032 2.844 1.00 0.50 C ATOM 117 O ASP A 27 8.874 9.157 3.175 1.00 0.33 O ATOM 118 CB ASP A 27 11.537 7.780 4.464 1.00 0.93 C ATOM 119 CG ASP A 27 12.207 9.143 4.698 1.00 1.36 C ATOM 120 OD1 ASP A 27 11.500 10.137 4.740 1.00 1.59 O ATOM 121 OD2 ASP A 27 13.417 9.163 4.852 1.00 2.59 O ATOM 0 H ASP A 27 12.765 7.461 2.308 1.00 0.70 H new ATOM 0 HA ASP A 27 10.082 6.911 3.132 1.00 0.63 H new ATOM 0 HB2 ASP A 27 10.829 7.580 5.268 1.00 0.93 H new ATOM 0 HB3 ASP A 27 12.291 6.993 4.500 1.00 0.93 H new ATOM 126 N LYS A 28 10.683 10.006 2.263 1.00 0.66 N ATOM 127 CA LYS A 28 9.999 11.299 1.991 1.00 0.68 C ATOM 128 C LYS A 28 8.906 11.106 0.938 1.00 0.52 C ATOM 129 O LYS A 28 7.858 11.716 1.004 1.00 0.52 O ATOM 130 CB LYS A 28 11.024 12.320 1.484 1.00 0.91 C ATOM 131 CG LYS A 28 11.540 13.163 2.651 1.00 1.89 C ATOM 132 CD LYS A 28 10.363 13.858 3.334 1.00 2.30 C ATOM 133 CE LYS A 28 10.667 15.349 3.490 1.00 2.62 C ATOM 134 NZ LYS A 28 10.302 15.791 4.867 1.00 4.23 N ATOM 0 H LYS A 28 11.657 9.960 1.965 1.00 0.66 H new ATOM 0 HA LYS A 28 9.543 11.662 2.912 1.00 0.68 H new ATOM 0 HB2 LYS A 28 11.854 11.805 1.001 1.00 0.91 H new ATOM 0 HB3 LYS A 28 10.567 12.964 0.733 1.00 0.91 H new ATOM 0 HG2 LYS A 28 12.068 12.531 3.365 1.00 1.89 H new ATOM 0 HG3 LYS A 28 12.255 13.903 2.291 1.00 1.89 H new ATOM 0 HD2 LYS A 28 9.456 13.721 2.746 1.00 2.30 H new ATOM 0 HD3 LYS A 28 10.180 13.410 4.311 1.00 2.30 H new ATOM 0 HE2 LYS A 28 11.725 15.536 3.305 1.00 2.62 H new ATOM 0 HE3 LYS A 28 10.108 15.924 2.752 1.00 2.62 H new ATOM 0 HZ1 LYS A 28 10.509 16.805 4.972 1.00 4.23 H new ATOM 0 HZ2 LYS A 28 9.288 15.626 5.027 1.00 4.23 H new ATOM 0 HZ3 LYS A 28 10.855 15.251 5.563 1.00 4.23 H new ATOM 148 N GLN A 29 9.139 10.273 -0.035 1.00 0.43 N ATOM 149 CA GLN A 29 8.105 10.061 -1.086 1.00 0.28 C ATOM 150 C GLN A 29 6.962 9.205 -0.524 1.00 0.30 C ATOM 151 O GLN A 29 5.837 9.282 -0.983 1.00 0.37 O ATOM 152 CB GLN A 29 8.739 9.366 -2.292 1.00 0.25 C ATOM 153 CG GLN A 29 9.855 10.249 -2.857 1.00 1.01 C ATOM 154 CD GLN A 29 11.092 9.396 -3.147 1.00 2.67 C ATOM 155 OE1 GLN A 29 11.055 8.188 -3.023 1.00 3.67 O ATOM 156 NE2 GLN A 29 12.194 9.977 -3.533 1.00 3.38 N ATOM 0 H GLN A 29 9.996 9.732 -0.149 1.00 0.43 H new ATOM 0 HA GLN A 29 7.702 11.024 -1.400 1.00 0.28 H new ATOM 0 HB2 GLN A 29 9.141 8.396 -1.998 1.00 0.25 H new ATOM 0 HB3 GLN A 29 7.985 9.180 -3.057 1.00 0.25 H new ATOM 0 HG2 GLN A 29 9.517 10.739 -3.770 1.00 1.01 H new ATOM 0 HG3 GLN A 29 10.103 11.037 -2.146 1.00 1.01 H new ATOM 0 HE21 GLN A 29 12.226 10.991 -3.637 1.00 3.38 H new ATOM 0 HE22 GLN A 29 13.024 9.417 -3.730 1.00 3.38 H new ATOM 165 N ILE A 30 7.225 8.404 0.477 1.00 0.26 N ATOM 166 CA ILE A 30 6.122 7.578 1.052 1.00 0.28 C ATOM 167 C ILE A 30 5.192 8.505 1.827 1.00 0.26 C ATOM 168 O ILE A 30 3.988 8.368 1.787 1.00 0.28 O ATOM 169 CB ILE A 30 6.669 6.514 2.004 1.00 0.26 C ATOM 170 CG1 ILE A 30 7.791 5.707 1.307 1.00 0.38 C ATOM 171 CG2 ILE A 30 5.524 5.601 2.445 1.00 0.35 C ATOM 172 CD1 ILE A 30 7.223 4.499 0.543 1.00 0.61 C ATOM 0 H ILE A 30 8.139 8.287 0.914 1.00 0.26 H new ATOM 0 HA ILE A 30 5.594 7.073 0.243 1.00 0.28 H new ATOM 0 HB ILE A 30 7.098 6.989 2.886 1.00 0.26 H new ATOM 0 HG12 ILE A 30 8.332 6.354 0.617 1.00 0.38 H new ATOM 0 HG13 ILE A 30 8.510 5.363 2.051 1.00 0.38 H new ATOM 0 HG21 ILE A 30 5.907 4.839 3.124 1.00 0.35 H new ATOM 0 HG22 ILE A 30 4.763 6.192 2.954 1.00 0.35 H new ATOM 0 HG23 ILE A 30 5.085 5.120 1.571 1.00 0.35 H new ATOM 0 HD11 ILE A 30 8.038 3.955 0.066 1.00 0.61 H new ATOM 0 HD12 ILE A 30 6.705 3.839 1.239 1.00 0.61 H new ATOM 0 HD13 ILE A 30 6.524 4.846 -0.218 1.00 0.61 H new ATOM 184 N ARG A 31 5.746 9.465 2.523 1.00 0.26 N ATOM 185 CA ARG A 31 4.893 10.417 3.286 1.00 0.25 C ATOM 186 C ARG A 31 3.880 11.040 2.323 1.00 0.25 C ATOM 187 O ARG A 31 2.797 11.435 2.708 1.00 0.24 O ATOM 188 CB ARG A 31 5.767 11.516 3.892 1.00 0.28 C ATOM 189 CG ARG A 31 5.061 12.118 5.107 1.00 0.48 C ATOM 190 CD ARG A 31 4.525 13.504 4.746 1.00 0.78 C ATOM 191 NE ARG A 31 4.201 14.251 5.993 1.00 0.78 N ATOM 192 CZ ARG A 31 3.601 15.407 5.924 1.00 1.65 C ATOM 193 NH1 ARG A 31 2.299 15.463 5.850 1.00 3.15 N ATOM 194 NH2 ARG A 31 4.302 16.508 5.927 1.00 1.63 N ATOM 0 H ARG A 31 6.750 9.628 2.594 1.00 0.26 H new ATOM 0 HA ARG A 31 4.374 9.894 4.089 1.00 0.25 H new ATOM 0 HB2 ARG A 31 6.733 11.106 4.186 1.00 0.28 H new ATOM 0 HB3 ARG A 31 5.962 12.291 3.150 1.00 0.28 H new ATOM 0 HG2 ARG A 31 4.243 11.471 5.424 1.00 0.48 H new ATOM 0 HG3 ARG A 31 5.754 12.191 5.945 1.00 0.48 H new ATOM 0 HD2 ARG A 31 5.266 14.052 4.163 1.00 0.78 H new ATOM 0 HD3 ARG A 31 3.635 13.411 4.124 1.00 0.78 H new ATOM 0 HE ARG A 31 4.448 13.858 6.901 1.00 0.78 H new ATOM 0 HH11 ARG A 31 1.751 14.603 5.846 1.00 3.15 H new ATOM 0 HH12 ARG A 31 1.830 16.367 5.796 1.00 3.15 H new ATOM 0 HH21 ARG A 31 5.320 16.465 5.983 1.00 1.63 H new ATOM 0 HH22 ARG A 31 3.832 17.412 5.873 1.00 1.63 H new ATOM 208 N TYR A 32 4.223 11.108 1.065 1.00 0.29 N ATOM 209 CA TYR A 32 3.286 11.675 0.064 1.00 0.31 C ATOM 210 C TYR A 32 2.243 10.611 -0.261 1.00 0.30 C ATOM 211 O TYR A 32 1.073 10.896 -0.425 1.00 0.31 O ATOM 212 CB TYR A 32 4.061 12.043 -1.204 1.00 0.35 C ATOM 213 CG TYR A 32 3.493 13.306 -1.798 1.00 0.32 C ATOM 214 CD1 TYR A 32 2.132 13.378 -2.116 1.00 0.67 C ATOM 215 CD2 TYR A 32 4.327 14.404 -2.035 1.00 1.09 C ATOM 216 CE1 TYR A 32 1.605 14.550 -2.671 1.00 0.68 C ATOM 217 CE2 TYR A 32 3.802 15.574 -2.591 1.00 1.07 C ATOM 218 CZ TYR A 32 2.441 15.648 -2.910 1.00 0.27 C ATOM 219 OH TYR A 32 1.922 16.801 -3.459 1.00 0.24 O ATOM 0 H TYR A 32 5.117 10.793 0.690 1.00 0.29 H new ATOM 0 HA TYR A 32 2.802 12.570 0.455 1.00 0.31 H new ATOM 0 HB2 TYR A 32 5.116 12.183 -0.969 1.00 0.35 H new ATOM 0 HB3 TYR A 32 4.000 11.230 -1.928 1.00 0.35 H new ATOM 0 HD1 TYR A 32 1.489 12.530 -1.933 1.00 0.67 H new ATOM 0 HD2 TYR A 32 5.377 14.348 -1.788 1.00 1.09 H new ATOM 0 HE1 TYR A 32 0.554 14.608 -2.915 1.00 0.68 H new ATOM 0 HE2 TYR A 32 4.446 16.421 -2.775 1.00 1.07 H new ATOM 0 HH TYR A 32 2.635 17.466 -3.558 1.00 0.24 H new ATOM 229 N ILE A 33 2.664 9.377 -0.341 1.00 0.29 N ATOM 230 CA ILE A 33 1.706 8.280 -0.640 1.00 0.31 C ATOM 231 C ILE A 33 0.581 8.291 0.394 1.00 0.31 C ATOM 232 O ILE A 33 -0.576 8.108 0.071 1.00 0.32 O ATOM 233 CB ILE A 33 2.439 6.939 -0.593 1.00 0.34 C ATOM 234 CG1 ILE A 33 3.559 6.945 -1.634 1.00 0.34 C ATOM 235 CG2 ILE A 33 1.458 5.808 -0.908 1.00 0.39 C ATOM 236 CD1 ILE A 33 4.386 5.667 -1.504 1.00 0.37 C ATOM 0 H ILE A 33 3.632 9.084 -0.212 1.00 0.29 H new ATOM 0 HA ILE A 33 1.282 8.424 -1.634 1.00 0.31 H new ATOM 0 HB ILE A 33 2.859 6.785 0.401 1.00 0.34 H new ATOM 0 HG12 ILE A 33 3.137 7.017 -2.636 1.00 0.34 H new ATOM 0 HG13 ILE A 33 4.196 7.818 -1.493 1.00 0.34 H new ATOM 0 HG21 ILE A 33 1.981 4.852 -0.874 1.00 0.39 H new ATOM 0 HG22 ILE A 33 0.654 5.808 -0.172 1.00 0.39 H new ATOM 0 HG23 ILE A 33 1.038 5.957 -1.903 1.00 0.39 H new ATOM 0 HD11 ILE A 33 5.184 5.673 -2.247 1.00 0.37 H new ATOM 0 HD12 ILE A 33 4.820 5.614 -0.506 1.00 0.37 H new ATOM 0 HD13 ILE A 33 3.745 4.801 -1.667 1.00 0.37 H new ATOM 248 N LEU A 34 0.911 8.509 1.633 1.00 0.31 N ATOM 249 CA LEU A 34 -0.133 8.535 2.692 1.00 0.31 C ATOM 250 C LEU A 34 -0.952 9.820 2.566 1.00 0.30 C ATOM 251 O LEU A 34 -2.151 9.822 2.764 1.00 0.26 O ATOM 252 CB LEU A 34 0.544 8.503 4.060 1.00 0.33 C ATOM 253 CG LEU A 34 0.989 7.077 4.382 1.00 0.87 C ATOM 254 CD1 LEU A 34 2.419 6.867 3.883 1.00 1.15 C ATOM 255 CD2 LEU A 34 0.942 6.860 5.897 1.00 0.93 C ATOM 0 H LEU A 34 1.863 8.671 1.960 1.00 0.31 H new ATOM 0 HA LEU A 34 -0.789 7.672 2.583 1.00 0.31 H new ATOM 0 HB2 LEU A 34 1.404 9.173 4.066 1.00 0.33 H new ATOM 0 HB3 LEU A 34 -0.144 8.861 4.826 1.00 0.33 H new ATOM 0 HG LEU A 34 0.323 6.367 3.891 1.00 0.87 H new ATOM 0 HD11 LEU A 34 2.739 5.850 4.112 1.00 1.15 H new ATOM 0 HD12 LEU A 34 2.455 7.025 2.805 1.00 1.15 H new ATOM 0 HD13 LEU A 34 3.084 7.576 4.376 1.00 1.15 H new ATOM 0 HD21 LEU A 34 1.259 5.843 6.129 1.00 0.93 H new ATOM 0 HD22 LEU A 34 1.609 7.569 6.387 1.00 0.93 H new ATOM 0 HD23 LEU A 34 -0.076 7.013 6.255 1.00 0.93 H new ATOM 267 N ASP A 35 -0.317 10.914 2.231 1.00 0.35 N ATOM 268 CA ASP A 35 -1.067 12.197 2.086 1.00 0.36 C ATOM 269 C ASP A 35 -2.230 11.974 1.129 1.00 0.27 C ATOM 270 O ASP A 35 -3.303 12.521 1.291 1.00 0.24 O ATOM 271 CB ASP A 35 -0.138 13.276 1.525 1.00 0.42 C ATOM 272 CG ASP A 35 0.344 14.185 2.659 1.00 0.89 C ATOM 273 OD1 ASP A 35 0.176 13.809 3.808 1.00 1.48 O ATOM 274 OD2 ASP A 35 0.874 15.241 2.358 1.00 1.07 O ATOM 0 H ASP A 35 0.685 10.974 2.052 1.00 0.35 H new ATOM 0 HA ASP A 35 -1.441 12.522 3.057 1.00 0.36 H new ATOM 0 HB2 ASP A 35 0.716 12.813 1.030 1.00 0.42 H new ATOM 0 HB3 ASP A 35 -0.662 13.865 0.772 1.00 0.42 H new ATOM 279 N GLY A 36 -2.027 11.149 0.145 1.00 0.27 N ATOM 280 CA GLY A 36 -3.118 10.858 -0.812 1.00 0.22 C ATOM 281 C GLY A 36 -4.160 9.996 -0.102 1.00 0.21 C ATOM 282 O GLY A 36 -5.336 10.279 -0.125 1.00 0.23 O ATOM 0 H GLY A 36 -1.149 10.663 -0.036 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -3.569 11.785 -1.167 1.00 0.22 H new ATOM 0 HA3 GLY A 36 -2.727 10.338 -1.687 1.00 0.22 H new ATOM 286 N ILE A 37 -3.724 8.944 0.531 1.00 0.23 N ATOM 287 CA ILE A 37 -4.671 8.040 1.247 1.00 0.22 C ATOM 288 C ILE A 37 -5.570 8.830 2.203 1.00 0.23 C ATOM 289 O ILE A 37 -6.652 8.391 2.537 1.00 0.24 O ATOM 290 CB ILE A 37 -3.888 7.008 2.057 1.00 0.25 C ATOM 291 CG1 ILE A 37 -2.967 6.217 1.126 1.00 0.26 C ATOM 292 CG2 ILE A 37 -4.873 6.052 2.735 1.00 0.23 C ATOM 293 CD1 ILE A 37 -3.804 5.484 0.082 1.00 0.25 C ATOM 0 H ILE A 37 -2.744 8.668 0.585 1.00 0.23 H new ATOM 0 HA ILE A 37 -5.292 7.546 0.500 1.00 0.22 H new ATOM 0 HB ILE A 37 -3.287 7.514 2.812 1.00 0.25 H new ATOM 0 HG12 ILE A 37 -2.263 6.890 0.636 1.00 0.26 H new ATOM 0 HG13 ILE A 37 -2.377 5.503 1.701 1.00 0.26 H new ATOM 0 HG21 ILE A 37 -4.321 5.312 3.315 1.00 0.23 H new ATOM 0 HG22 ILE A 37 -5.530 6.616 3.397 1.00 0.23 H new ATOM 0 HG23 ILE A 37 -5.470 5.546 1.976 1.00 0.23 H new ATOM 0 HD11 ILE A 37 -3.147 4.921 -0.581 1.00 0.25 H new ATOM 0 HD12 ILE A 37 -4.490 4.799 0.581 1.00 0.25 H new ATOM 0 HD13 ILE A 37 -4.374 6.208 -0.501 1.00 0.25 H new ATOM 305 N SER A 38 -5.150 9.984 2.647 1.00 0.27 N ATOM 306 CA SER A 38 -6.013 10.764 3.569 1.00 0.32 C ATOM 307 C SER A 38 -7.243 11.174 2.788 1.00 0.31 C ATOM 308 O SER A 38 -8.367 11.029 3.232 1.00 0.34 O ATOM 309 CB SER A 38 -5.270 12.007 4.062 1.00 0.36 C ATOM 310 OG SER A 38 -4.805 11.781 5.385 1.00 0.97 O ATOM 0 H SER A 38 -4.255 10.414 2.412 1.00 0.27 H new ATOM 0 HA SER A 38 -6.285 10.168 4.440 1.00 0.32 H new ATOM 0 HB2 SER A 38 -4.431 12.229 3.402 1.00 0.36 H new ATOM 0 HB3 SER A 38 -5.931 12.873 4.039 1.00 0.36 H new ATOM 0 HG SER A 38 -4.327 12.575 5.704 1.00 0.97 H new ATOM 316 N ALA A 39 -7.032 11.662 1.603 1.00 0.31 N ATOM 317 CA ALA A 39 -8.175 12.063 0.760 1.00 0.35 C ATOM 318 C ALA A 39 -8.807 10.813 0.140 1.00 0.34 C ATOM 319 O ALA A 39 -9.896 10.863 -0.397 1.00 0.38 O ATOM 320 CB ALA A 39 -7.694 13.006 -0.343 1.00 0.40 C ATOM 0 H ALA A 39 -6.112 11.799 1.184 1.00 0.31 H new ATOM 0 HA ALA A 39 -8.917 12.580 1.369 1.00 0.35 H new ATOM 0 HB1 ALA A 39 -8.540 13.301 -0.964 1.00 0.40 H new ATOM 0 HB2 ALA A 39 -7.247 13.893 0.106 1.00 0.40 H new ATOM 0 HB3 ALA A 39 -6.952 12.498 -0.958 1.00 0.40 H new ATOM 326 N LEU A 40 -8.139 9.687 0.215 1.00 0.29 N ATOM 327 CA LEU A 40 -8.720 8.446 -0.367 1.00 0.30 C ATOM 328 C LEU A 40 -9.334 7.585 0.737 1.00 0.26 C ATOM 329 O LEU A 40 -9.910 6.551 0.471 1.00 0.26 O ATOM 330 CB LEU A 40 -7.636 7.637 -1.085 1.00 0.34 C ATOM 331 CG LEU A 40 -6.865 8.536 -2.047 1.00 0.40 C ATOM 332 CD1 LEU A 40 -5.558 7.851 -2.442 1.00 0.50 C ATOM 333 CD2 LEU A 40 -7.703 8.778 -3.298 1.00 0.34 C ATOM 0 H LEU A 40 -7.224 9.578 0.652 1.00 0.29 H new ATOM 0 HA LEU A 40 -9.492 8.732 -1.081 1.00 0.30 H new ATOM 0 HB2 LEU A 40 -6.953 7.201 -0.356 1.00 0.34 H new ATOM 0 HB3 LEU A 40 -8.090 6.810 -1.631 1.00 0.34 H new ATOM 0 HG LEU A 40 -6.649 9.488 -1.561 1.00 0.40 H new ATOM 0 HD11 LEU A 40 -5.005 8.491 -3.129 1.00 0.50 H new ATOM 0 HD12 LEU A 40 -4.957 7.672 -1.550 1.00 0.50 H new ATOM 0 HD13 LEU A 40 -5.778 6.901 -2.929 1.00 0.50 H new ATOM 0 HD21 LEU A 40 -7.153 9.420 -3.986 1.00 0.34 H new ATOM 0 HD22 LEU A 40 -7.916 7.825 -3.783 1.00 0.34 H new ATOM 0 HD23 LEU A 40 -8.640 9.262 -3.021 1.00 0.34 H new ATOM 345 N ARG A 41 -9.223 7.991 1.973 1.00 0.24 N ATOM 346 CA ARG A 41 -9.813 7.175 3.067 1.00 0.24 C ATOM 347 C ARG A 41 -10.737 8.039 3.926 1.00 0.24 C ATOM 348 O ARG A 41 -11.371 7.553 4.837 1.00 0.23 O ATOM 349 CB ARG A 41 -8.703 6.596 3.942 1.00 0.29 C ATOM 350 CG ARG A 41 -9.294 5.509 4.843 1.00 0.31 C ATOM 351 CD ARG A 41 -8.168 4.805 5.604 1.00 0.43 C ATOM 352 NE ARG A 41 -8.753 3.844 6.581 1.00 1.22 N ATOM 353 CZ ARG A 41 -8.886 4.186 7.834 1.00 0.85 C ATOM 354 NH1 ARG A 41 -9.223 5.409 8.143 1.00 0.74 N ATOM 355 NH2 ARG A 41 -8.682 3.308 8.777 1.00 1.72 N ATOM 0 H ARG A 41 -8.753 8.846 2.269 1.00 0.24 H new ATOM 0 HA ARG A 41 -10.388 6.361 2.625 1.00 0.24 H new ATOM 0 HB2 ARG A 41 -7.911 6.179 3.319 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -8.252 7.382 4.547 1.00 0.29 H new ATOM 0 HG2 ARG A 41 -10.001 5.950 5.546 1.00 0.31 H new ATOM 0 HG3 ARG A 41 -9.848 4.787 4.243 1.00 0.31 H new ATOM 0 HD2 ARG A 41 -7.517 4.279 4.906 1.00 0.43 H new ATOM 0 HD3 ARG A 41 -7.552 5.539 6.124 1.00 0.43 H new ATOM 0 HE ARG A 41 -9.050 2.919 6.271 1.00 1.22 H new ATOM 0 HH11 ARG A 41 -9.382 6.096 7.406 1.00 0.74 H new ATOM 0 HH12 ARG A 41 -9.327 5.678 9.121 1.00 0.74 H new ATOM 0 HH21 ARG A 41 -8.418 2.353 8.536 1.00 1.72 H new ATOM 0 HH22 ARG A 41 -8.786 3.577 9.755 1.00 1.72 H new ATOM 369 N LYS A 42 -10.829 9.313 3.650 1.00 0.30 N ATOM 370 CA LYS A 42 -11.723 10.180 4.458 1.00 0.35 C ATOM 371 C LYS A 42 -13.154 10.023 3.945 1.00 0.34 C ATOM 372 O LYS A 42 -14.099 9.909 4.708 1.00 0.36 O ATOM 373 CB LYS A 42 -11.285 11.638 4.294 1.00 0.40 C ATOM 374 CG LYS A 42 -10.997 12.246 5.668 1.00 1.22 C ATOM 375 CD LYS A 42 -9.876 13.282 5.544 1.00 2.01 C ATOM 376 CE LYS A 42 -8.674 12.837 6.378 1.00 3.49 C ATOM 377 NZ LYS A 42 -8.052 14.026 7.026 1.00 3.94 N ATOM 0 H LYS A 42 -10.323 9.786 2.901 1.00 0.30 H new ATOM 0 HA LYS A 42 -11.672 9.897 5.509 1.00 0.35 H new ATOM 0 HB2 LYS A 42 -10.395 11.692 3.667 1.00 0.40 H new ATOM 0 HB3 LYS A 42 -12.065 12.208 3.789 1.00 0.40 H new ATOM 0 HG2 LYS A 42 -11.897 12.715 6.066 1.00 1.22 H new ATOM 0 HG3 LYS A 42 -10.708 11.464 6.370 1.00 1.22 H new ATOM 0 HD2 LYS A 42 -9.585 13.395 4.500 1.00 2.01 H new ATOM 0 HD3 LYS A 42 -10.227 14.256 5.884 1.00 2.01 H new ATOM 0 HE2 LYS A 42 -8.989 12.120 7.136 1.00 3.49 H new ATOM 0 HE3 LYS A 42 -7.945 12.332 5.744 1.00 3.49 H new ATOM 0 HZ1 LYS A 42 -7.234 13.724 7.593 1.00 3.94 H new ATOM 0 HZ2 LYS A 42 -7.738 14.695 6.295 1.00 3.94 H new ATOM 0 HZ3 LYS A 42 -8.749 14.490 7.643 1.00 3.94 H new ATOM 391 N GLU A 43 -13.312 10.006 2.649 1.00 0.36 N ATOM 392 CA GLU A 43 -14.664 9.859 2.064 1.00 0.37 C ATOM 393 C GLU A 43 -15.079 8.395 2.131 1.00 0.35 C ATOM 394 O GLU A 43 -16.198 8.072 2.500 1.00 0.31 O ATOM 395 CB GLU A 43 -14.641 10.319 0.604 1.00 0.38 C ATOM 396 CG GLU A 43 -16.052 10.238 0.021 1.00 0.57 C ATOM 397 CD GLU A 43 -16.813 11.526 0.343 1.00 1.38 C ATOM 398 OE1 GLU A 43 -16.167 12.545 0.518 1.00 2.23 O ATOM 399 OE2 GLU A 43 -18.030 11.469 0.408 1.00 2.06 O ATOM 0 H GLU A 43 -12.554 10.089 1.971 1.00 0.36 H new ATOM 0 HA GLU A 43 -15.375 10.468 2.622 1.00 0.37 H new ATOM 0 HB2 GLU A 43 -14.268 11.341 0.540 1.00 0.38 H new ATOM 0 HB3 GLU A 43 -13.961 9.694 0.025 1.00 0.38 H new ATOM 0 HG2 GLU A 43 -16.003 10.092 -1.058 1.00 0.57 H new ATOM 0 HG3 GLU A 43 -16.579 9.379 0.435 1.00 0.57 H new ATOM 406 N THR A 44 -14.183 7.502 1.787 1.00 0.39 N ATOM 407 CA THR A 44 -14.530 6.056 1.828 1.00 0.38 C ATOM 408 C THR A 44 -14.310 5.480 3.233 1.00 0.42 C ATOM 409 O THR A 44 -13.912 4.344 3.396 1.00 0.45 O ATOM 410 CB THR A 44 -13.699 5.280 0.801 1.00 0.36 C ATOM 411 OG1 THR A 44 -14.094 3.915 0.815 1.00 0.31 O ATOM 412 CG2 THR A 44 -12.214 5.382 1.136 1.00 0.56 C ATOM 0 H THR A 44 -13.233 7.715 1.482 1.00 0.39 H new ATOM 0 HA THR A 44 -15.586 5.952 1.578 1.00 0.38 H new ATOM 0 HB THR A 44 -13.867 5.706 -0.188 1.00 0.36 H new ATOM 0 HG1 THR A 44 -15.039 3.851 1.066 1.00 0.31 H new ATOM 0 HG21 THR A 44 -11.636 4.826 0.398 1.00 0.56 H new ATOM 0 HG22 THR A 44 -11.909 6.428 1.123 1.00 0.56 H new ATOM 0 HG23 THR A 44 -12.035 4.965 2.127 1.00 0.56 H new ATOM 420 N CYS A 45 -14.617 6.244 4.243 1.00 0.49 N ATOM 421 CA CYS A 45 -14.495 5.758 5.640 1.00 0.52 C ATOM 422 C CYS A 45 -15.715 6.302 6.374 1.00 0.39 C ATOM 423 O CYS A 45 -16.485 5.571 6.966 1.00 0.39 O ATOM 424 CB CYS A 45 -13.200 6.278 6.290 1.00 0.90 C ATOM 425 SG CYS A 45 -13.226 5.990 8.090 1.00 2.15 S ATOM 0 H CYS A 45 -14.954 7.203 4.155 1.00 0.49 H new ATOM 0 HA CYS A 45 -14.451 4.670 5.680 1.00 0.52 H new ATOM 0 HB2 CYS A 45 -12.338 5.777 5.848 1.00 0.90 H new ATOM 0 HB3 CYS A 45 -13.088 7.343 6.088 1.00 0.90 H new ATOM 0 HG CYS A 45 -12.124 6.434 8.617 1.00 2.15 H new ATOM 430 N ASN A 46 -15.919 7.588 6.300 1.00 0.56 N ATOM 431 CA ASN A 46 -17.113 8.173 6.954 1.00 0.69 C ATOM 432 C ASN A 46 -18.347 7.704 6.183 1.00 0.54 C ATOM 433 O ASN A 46 -19.242 7.095 6.736 1.00 0.76 O ATOM 434 CB ASN A 46 -17.025 9.699 6.921 1.00 0.94 C ATOM 435 CG ASN A 46 -16.553 10.212 8.282 1.00 0.67 C ATOM 436 OD1 ASN A 46 -17.052 9.796 9.308 1.00 1.26 O ATOM 437 ND2 ASN A 46 -15.601 11.102 8.335 1.00 0.82 N ATOM 0 H ASN A 46 -15.313 8.252 5.818 1.00 0.56 H new ATOM 0 HA ASN A 46 -17.173 7.854 7.995 1.00 0.69 H new ATOM 0 HB2 ASN A 46 -16.334 10.017 6.141 1.00 0.94 H new ATOM 0 HB3 ASN A 46 -17.998 10.125 6.677 1.00 0.94 H new ATOM 0 HD21 ASN A 46 -15.276 11.448 9.238 1.00 0.82 H new ATOM 0 HD22 ASN A 46 -15.181 11.452 7.474 1.00 0.82 H new ATOM 444 N LYS A 47 -18.395 7.969 4.902 1.00 0.33 N ATOM 445 CA LYS A 47 -19.562 7.519 4.099 1.00 0.45 C ATOM 446 C LYS A 47 -19.257 6.157 3.468 1.00 0.60 C ATOM 447 O LYS A 47 -19.588 5.909 2.326 1.00 1.27 O ATOM 448 CB LYS A 47 -19.848 8.541 2.995 1.00 0.35 C ATOM 449 CG LYS A 47 -21.247 8.301 2.424 1.00 1.73 C ATOM 450 CD LYS A 47 -21.465 9.206 1.211 1.00 2.12 C ATOM 451 CE LYS A 47 -21.338 8.384 -0.072 1.00 3.69 C ATOM 452 NZ LYS A 47 -20.057 8.722 -0.757 1.00 4.67 N ATOM 0 H LYS A 47 -17.678 8.476 4.383 1.00 0.33 H new ATOM 0 HA LYS A 47 -20.434 7.430 4.747 1.00 0.45 H new ATOM 0 HB2 LYS A 47 -19.776 9.553 3.394 1.00 0.35 H new ATOM 0 HB3 LYS A 47 -19.102 8.456 2.205 1.00 0.35 H new ATOM 0 HG2 LYS A 47 -21.359 7.256 2.136 1.00 1.73 H new ATOM 0 HG3 LYS A 47 -22.001 8.505 3.184 1.00 1.73 H new ATOM 0 HD2 LYS A 47 -22.451 9.669 1.262 1.00 2.12 H new ATOM 0 HD3 LYS A 47 -20.733 10.014 1.211 1.00 2.12 H new ATOM 0 HE2 LYS A 47 -21.368 7.320 0.161 1.00 3.69 H new ATOM 0 HE3 LYS A 47 -22.181 8.589 -0.732 1.00 3.69 H new ATOM 0 HZ1 LYS A 47 -19.972 8.162 -1.629 1.00 4.67 H new ATOM 0 HZ2 LYS A 47 -20.046 9.735 -0.993 1.00 4.67 H new ATOM 0 HZ3 LYS A 47 -19.259 8.505 -0.127 1.00 4.67 H new ATOM 466 N SER A 48 -18.615 5.276 4.188 1.00 0.29 N ATOM 467 CA SER A 48 -18.284 3.944 3.599 1.00 0.42 C ATOM 468 C SER A 48 -19.049 2.826 4.322 1.00 0.60 C ATOM 469 O SER A 48 -18.914 1.665 3.995 1.00 1.02 O ATOM 470 CB SER A 48 -16.780 3.696 3.728 1.00 0.50 C ATOM 471 OG SER A 48 -16.188 3.727 2.437 1.00 1.19 O ATOM 0 H SER A 48 -18.307 5.418 5.150 1.00 0.29 H new ATOM 0 HA SER A 48 -18.575 3.942 2.549 1.00 0.42 H new ATOM 0 HB2 SER A 48 -16.328 4.455 4.367 1.00 0.50 H new ATOM 0 HB3 SER A 48 -16.598 2.731 4.201 1.00 0.50 H new ATOM 0 HG SER A 48 -15.901 2.824 2.187 1.00 1.19 H new ATOM 477 N ASN A 49 -19.840 3.154 5.308 1.00 0.37 N ATOM 478 CA ASN A 49 -20.604 2.098 6.044 1.00 0.67 C ATOM 479 C ASN A 49 -19.673 0.966 6.510 1.00 0.46 C ATOM 480 O ASN A 49 -20.126 -0.096 6.886 1.00 0.88 O ATOM 481 CB ASN A 49 -21.676 1.516 5.120 1.00 1.04 C ATOM 482 CG ASN A 49 -22.540 2.647 4.561 1.00 1.91 C ATOM 483 OD1 ASN A 49 -22.030 3.668 4.145 1.00 2.78 O ATOM 484 ND2 ASN A 49 -23.837 2.508 4.532 1.00 2.18 N ATOM 0 H ASN A 49 -19.992 4.107 5.638 1.00 0.37 H new ATOM 0 HA ASN A 49 -21.064 2.553 6.921 1.00 0.67 H new ATOM 0 HB2 ASN A 49 -21.207 0.965 4.304 1.00 1.04 H new ATOM 0 HB3 ASN A 49 -22.297 0.807 5.668 1.00 1.04 H new ATOM 0 HD21 ASN A 49 -24.422 3.256 4.160 1.00 2.18 H new ATOM 0 HD22 ASN A 49 -24.266 1.651 4.881 1.00 2.18 H new ATOM 491 N MET A 50 -18.383 1.181 6.502 1.00 0.18 N ATOM 492 CA MET A 50 -17.438 0.120 6.951 1.00 0.45 C ATOM 493 C MET A 50 -16.199 0.797 7.533 1.00 0.72 C ATOM 494 O MET A 50 -15.081 0.372 7.323 1.00 0.78 O ATOM 495 CB MET A 50 -17.033 -0.747 5.757 1.00 0.48 C ATOM 496 CG MET A 50 -18.042 -1.882 5.579 1.00 0.18 C ATOM 497 SD MET A 50 -17.798 -2.659 3.963 1.00 0.90 S ATOM 498 CE MET A 50 -19.301 -2.022 3.184 1.00 1.58 C ATOM 0 H MET A 50 -17.943 2.051 6.202 1.00 0.18 H new ATOM 0 HA MET A 50 -17.912 -0.512 7.702 1.00 0.45 H new ATOM 0 HB2 MET A 50 -16.990 -0.140 4.852 1.00 0.48 H new ATOM 0 HB3 MET A 50 -16.035 -1.156 5.914 1.00 0.48 H new ATOM 0 HG2 MET A 50 -17.919 -2.620 6.372 1.00 0.18 H new ATOM 0 HG3 MET A 50 -19.058 -1.495 5.659 1.00 0.18 H new ATOM 0 HE1 MET A 50 -19.680 -2.755 2.472 1.00 1.58 H new ATOM 0 HE2 MET A 50 -20.055 -1.834 3.948 1.00 1.58 H new ATOM 0 HE3 MET A 50 -19.074 -1.092 2.662 1.00 1.58 H new ATOM 660 N ASN A 62 -9.572 -9.508 5.514 1.00 0.92 N ATOM 661 CA ASN A 62 -8.470 -8.516 5.376 1.00 0.63 C ATOM 662 C ASN A 62 -7.736 -8.738 4.054 1.00 0.96 C ATOM 663 O ASN A 62 -6.595 -8.350 3.894 1.00 2.38 O ATOM 664 CB ASN A 62 -7.490 -8.680 6.540 1.00 1.36 C ATOM 665 CG ASN A 62 -8.176 -8.261 7.841 1.00 1.12 C ATOM 666 OD1 ASN A 62 -9.119 -8.892 8.276 1.00 0.48 O ATOM 667 ND2 ASN A 62 -7.740 -7.213 8.487 1.00 2.19 N ATOM 0 HA ASN A 62 -8.887 -7.509 5.389 1.00 0.63 H new ATOM 0 HB2 ASN A 62 -7.158 -9.716 6.608 1.00 1.36 H new ATOM 0 HB3 ASN A 62 -6.602 -8.071 6.371 1.00 1.36 H new ATOM 0 HD21 ASN A 62 -8.191 -6.925 9.355 1.00 2.19 H new ATOM 0 HD22 ASN A 62 -6.949 -6.682 8.123 1.00 2.19 H new ATOM 674 N LEU A 63 -8.380 -9.355 3.101 1.00 0.53 N ATOM 675 CA LEU A 63 -7.716 -9.593 1.790 1.00 0.45 C ATOM 676 C LEU A 63 -6.400 -10.342 2.012 1.00 0.39 C ATOM 677 O LEU A 63 -6.239 -11.053 2.984 1.00 0.44 O ATOM 678 CB LEU A 63 -7.432 -8.248 1.122 1.00 0.30 C ATOM 679 CG LEU A 63 -8.688 -7.379 1.163 1.00 0.52 C ATOM 680 CD1 LEU A 63 -8.375 -6.005 0.572 1.00 0.39 C ATOM 681 CD2 LEU A 63 -9.795 -8.049 0.345 1.00 1.14 C ATOM 0 H LEU A 63 -9.336 -9.704 3.174 1.00 0.53 H new ATOM 0 HA LEU A 63 -8.367 -10.190 1.151 1.00 0.45 H new ATOM 0 HB2 LEU A 63 -6.612 -7.743 1.632 1.00 0.30 H new ATOM 0 HB3 LEU A 63 -7.118 -8.402 0.090 1.00 0.30 H new ATOM 0 HG LEU A 63 -9.019 -7.262 2.195 1.00 0.52 H new ATOM 0 HD11 LEU A 63 -9.270 -5.384 0.601 1.00 0.39 H new ATOM 0 HD12 LEU A 63 -7.585 -5.530 1.154 1.00 0.39 H new ATOM 0 HD13 LEU A 63 -8.046 -6.120 -0.461 1.00 0.39 H new ATOM 0 HD21 LEU A 63 -10.692 -7.431 0.373 1.00 1.14 H new ATOM 0 HD22 LEU A 63 -9.465 -8.164 -0.688 1.00 1.14 H new ATOM 0 HD23 LEU A 63 -10.016 -9.029 0.767 1.00 1.14 H new ATOM 693 N ASN A 64 -5.455 -10.192 1.121 1.00 0.47 N ATOM 694 CA ASN A 64 -4.155 -10.899 1.292 1.00 0.61 C ATOM 695 C ASN A 64 -3.012 -9.961 0.907 1.00 0.60 C ATOM 696 O ASN A 64 -1.980 -10.382 0.421 1.00 0.86 O ATOM 697 CB ASN A 64 -4.132 -12.139 0.392 1.00 0.83 C ATOM 698 CG ASN A 64 -2.827 -12.909 0.603 1.00 2.20 C ATOM 699 OD1 ASN A 64 -2.276 -12.911 1.685 1.00 2.71 O ATOM 700 ND2 ASN A 64 -2.307 -13.568 -0.398 1.00 2.91 N ATOM 0 H ASN A 64 -5.528 -9.612 0.285 1.00 0.47 H new ATOM 0 HA ASN A 64 -4.036 -11.203 2.332 1.00 0.61 H new ATOM 0 HB2 ASN A 64 -4.984 -12.780 0.619 1.00 0.83 H new ATOM 0 HB3 ASN A 64 -4.225 -11.843 -0.653 1.00 0.83 H new ATOM 0 HD21 ASN A 64 -1.437 -14.085 -0.271 1.00 2.91 H new ATOM 0 HD22 ASN A 64 -2.771 -13.565 -1.306 1.00 2.91 H new ATOM 707 N LEU A 65 -3.191 -8.688 1.117 1.00 0.41 N ATOM 708 CA LEU A 65 -2.125 -7.715 0.760 1.00 0.55 C ATOM 709 C LEU A 65 -1.183 -7.361 1.950 1.00 0.78 C ATOM 710 O LEU A 65 -0.114 -6.840 1.702 1.00 1.17 O ATOM 711 CB LEU A 65 -2.778 -6.438 0.213 1.00 0.48 C ATOM 712 CG LEU A 65 -3.405 -5.627 1.349 1.00 0.52 C ATOM 713 CD1 LEU A 65 -2.686 -4.282 1.467 1.00 0.50 C ATOM 714 CD2 LEU A 65 -4.886 -5.387 1.047 1.00 0.69 C ATOM 0 H LEU A 65 -4.033 -8.279 1.522 1.00 0.41 H new ATOM 0 HA LEU A 65 -1.497 -8.187 0.004 1.00 0.55 H new ATOM 0 HB2 LEU A 65 -2.032 -5.834 -0.304 1.00 0.48 H new ATOM 0 HB3 LEU A 65 -3.541 -6.698 -0.520 1.00 0.48 H new ATOM 0 HG LEU A 65 -3.310 -6.176 2.286 1.00 0.52 H new ATOM 0 HD11 LEU A 65 -3.130 -3.702 2.276 1.00 0.50 H new ATOM 0 HD12 LEU A 65 -1.630 -4.451 1.679 1.00 0.50 H new ATOM 0 HD13 LEU A 65 -2.784 -3.733 0.530 1.00 0.50 H new ATOM 0 HD21 LEU A 65 -5.333 -4.809 1.856 1.00 0.69 H new ATOM 0 HD22 LEU A 65 -4.982 -4.836 0.111 1.00 0.69 H new ATOM 0 HD23 LEU A 65 -5.399 -6.345 0.958 1.00 0.69 H new ATOM 726 N PRO A 66 -1.560 -7.615 3.202 1.00 1.37 N ATOM 727 CA PRO A 66 -0.680 -7.268 4.338 1.00 1.64 C ATOM 728 C PRO A 66 0.435 -8.305 4.500 1.00 1.03 C ATOM 729 O PRO A 66 0.287 -9.455 4.134 1.00 1.48 O ATOM 730 CB PRO A 66 -1.616 -7.292 5.549 1.00 2.82 C ATOM 731 CG PRO A 66 -2.809 -8.192 5.159 1.00 3.16 C ATOM 732 CD PRO A 66 -2.834 -8.250 3.621 1.00 2.23 C ATOM 0 HA PRO A 66 -0.184 -6.307 4.205 1.00 1.64 H new ATOM 0 HB2 PRO A 66 -1.104 -7.684 6.428 1.00 2.82 H new ATOM 0 HB3 PRO A 66 -1.954 -6.286 5.799 1.00 2.82 H new ATOM 0 HG2 PRO A 66 -2.696 -9.190 5.582 1.00 3.16 H new ATOM 0 HG3 PRO A 66 -3.743 -7.786 5.546 1.00 3.16 H new ATOM 0 HD2 PRO A 66 -2.901 -9.278 3.264 1.00 2.23 H new ATOM 0 HD3 PRO A 66 -3.695 -7.716 3.218 1.00 2.23 H new ATOM 740 N LYS A 67 1.550 -7.909 5.054 1.00 0.75 N ATOM 741 CA LYS A 67 2.674 -8.871 5.249 1.00 0.90 C ATOM 742 C LYS A 67 3.760 -8.222 6.109 1.00 0.71 C ATOM 743 O LYS A 67 4.755 -7.738 5.611 1.00 0.43 O ATOM 744 CB LYS A 67 3.263 -9.258 3.891 1.00 1.36 C ATOM 745 CG LYS A 67 3.594 -7.994 3.096 1.00 1.61 C ATOM 746 CD LYS A 67 3.721 -8.344 1.611 1.00 2.49 C ATOM 747 CE LYS A 67 4.898 -9.301 1.408 1.00 3.52 C ATOM 748 NZ LYS A 67 4.673 -10.117 0.181 1.00 4.19 N ATOM 0 H LYS A 67 1.731 -6.960 5.380 1.00 0.75 H new ATOM 0 HA LYS A 67 2.300 -9.765 5.749 1.00 0.90 H new ATOM 0 HB2 LYS A 67 4.162 -9.858 4.031 1.00 1.36 H new ATOM 0 HB3 LYS A 67 2.553 -9.873 3.337 1.00 1.36 H new ATOM 0 HG2 LYS A 67 2.814 -7.247 3.239 1.00 1.61 H new ATOM 0 HG3 LYS A 67 4.524 -7.557 3.458 1.00 1.61 H new ATOM 0 HD2 LYS A 67 2.799 -8.805 1.255 1.00 2.49 H new ATOM 0 HD3 LYS A 67 3.871 -7.437 1.025 1.00 2.49 H new ATOM 0 HE2 LYS A 67 5.827 -8.737 1.317 1.00 3.52 H new ATOM 0 HE3 LYS A 67 5.004 -9.952 2.276 1.00 3.52 H new ATOM 0 HZ1 LYS A 67 5.584 -10.479 -0.167 1.00 4.19 H new ATOM 0 HZ2 LYS A 67 4.046 -10.916 0.406 1.00 4.19 H new ATOM 0 HZ3 LYS A 67 4.232 -9.526 -0.553 1.00 4.19 H new ATOM 762 N MET A 68 3.575 -8.212 7.400 1.00 1.04 N ATOM 763 CA MET A 68 4.594 -7.600 8.297 1.00 0.89 C ATOM 764 C MET A 68 4.420 -8.158 9.709 1.00 1.00 C ATOM 765 O MET A 68 3.318 -8.418 10.150 1.00 1.14 O ATOM 766 CB MET A 68 4.406 -6.080 8.321 1.00 0.79 C ATOM 767 CG MET A 68 5.774 -5.395 8.368 1.00 1.00 C ATOM 768 SD MET A 68 6.078 -4.532 6.804 1.00 0.98 S ATOM 769 CE MET A 68 6.524 -2.927 7.513 1.00 0.57 C ATOM 0 H MET A 68 2.760 -8.602 7.873 1.00 1.04 H new ATOM 0 HA MET A 68 5.594 -7.835 7.931 1.00 0.89 H new ATOM 0 HB2 MET A 68 3.856 -5.757 7.437 1.00 0.79 H new ATOM 0 HB3 MET A 68 3.813 -5.790 9.188 1.00 0.79 H new ATOM 0 HG2 MET A 68 5.810 -4.689 9.197 1.00 1.00 H new ATOM 0 HG3 MET A 68 6.556 -6.134 8.545 1.00 1.00 H new ATOM 0 HE1 MET A 68 5.864 -2.157 7.114 1.00 0.57 H new ATOM 0 HE2 MET A 68 6.421 -2.967 8.597 1.00 0.57 H new ATOM 0 HE3 MET A 68 7.556 -2.690 7.255 1.00 0.57 H new ATOM 779 N ALA A 69 5.494 -8.350 10.422 1.00 0.99 N ATOM 780 CA ALA A 69 5.379 -8.895 11.803 1.00 1.11 C ATOM 781 C ALA A 69 6.714 -8.743 12.529 1.00 1.10 C ATOM 782 O ALA A 69 7.579 -7.997 12.112 1.00 1.02 O ATOM 783 CB ALA A 69 5.005 -10.376 11.733 1.00 1.23 C ATOM 0 H ALA A 69 6.445 -8.154 10.109 1.00 0.99 H new ATOM 0 HA ALA A 69 4.609 -8.347 12.346 1.00 1.11 H new ATOM 0 HB1 ALA A 69 4.920 -10.778 12.743 1.00 1.23 H new ATOM 0 HB2 ALA A 69 4.051 -10.486 11.217 1.00 1.23 H new ATOM 0 HB3 ALA A 69 5.777 -10.921 11.189 1.00 1.23 H new ATOM 789 N GLU A 70 6.890 -9.446 13.614 1.00 1.34 N ATOM 790 CA GLU A 70 8.170 -9.345 14.369 1.00 1.38 C ATOM 791 C GLU A 70 9.246 -10.164 13.653 1.00 1.25 C ATOM 792 O GLU A 70 10.426 -9.913 13.792 1.00 1.33 O ATOM 793 CB GLU A 70 7.971 -9.892 15.785 1.00 1.64 C ATOM 794 CG GLU A 70 7.405 -11.312 15.711 1.00 2.55 C ATOM 795 CD GLU A 70 5.932 -11.298 16.128 1.00 2.33 C ATOM 796 OE1 GLU A 70 5.671 -11.093 17.302 1.00 1.85 O ATOM 797 OE2 GLU A 70 5.091 -11.490 15.266 1.00 3.15 O ATOM 0 H GLU A 70 6.202 -10.086 14.010 1.00 1.34 H new ATOM 0 HA GLU A 70 8.481 -8.302 14.423 1.00 1.38 H new ATOM 0 HB2 GLU A 70 8.920 -9.895 16.321 1.00 1.64 H new ATOM 0 HB3 GLU A 70 7.292 -9.247 16.343 1.00 1.64 H new ATOM 0 HG2 GLU A 70 7.503 -11.701 14.698 1.00 2.55 H new ATOM 0 HG3 GLU A 70 7.972 -11.975 16.364 1.00 2.55 H new ATOM 804 N LYS A 71 8.846 -11.143 12.888 1.00 1.09 N ATOM 805 CA LYS A 71 9.844 -11.979 12.164 1.00 1.06 C ATOM 806 C LYS A 71 10.370 -11.212 10.949 1.00 0.81 C ATOM 807 O LYS A 71 11.524 -11.321 10.585 1.00 0.75 O ATOM 808 CB LYS A 71 9.178 -13.275 11.700 1.00 1.09 C ATOM 809 CG LYS A 71 9.781 -14.457 12.460 1.00 1.81 C ATOM 810 CD LYS A 71 8.889 -15.688 12.285 1.00 1.61 C ATOM 811 CE LYS A 71 8.695 -16.375 13.638 1.00 2.86 C ATOM 812 NZ LYS A 71 7.778 -17.540 13.479 1.00 3.05 N ATOM 0 H LYS A 71 7.871 -11.400 12.733 1.00 1.09 H new ATOM 0 HA LYS A 71 10.674 -12.213 12.830 1.00 1.06 H new ATOM 0 HB2 LYS A 71 8.103 -13.227 11.874 1.00 1.09 H new ATOM 0 HB3 LYS A 71 9.322 -13.407 10.628 1.00 1.09 H new ATOM 0 HG2 LYS A 71 10.784 -14.667 12.090 1.00 1.81 H new ATOM 0 HG3 LYS A 71 9.876 -14.212 13.518 1.00 1.81 H new ATOM 0 HD2 LYS A 71 7.924 -15.395 11.872 1.00 1.61 H new ATOM 0 HD3 LYS A 71 9.342 -16.380 11.575 1.00 1.61 H new ATOM 0 HE2 LYS A 71 9.656 -16.707 14.030 1.00 2.86 H new ATOM 0 HE3 LYS A 71 8.282 -15.670 14.360 1.00 2.86 H new ATOM 0 HZ1 LYS A 71 7.647 -18.006 14.399 1.00 3.05 H new ATOM 0 HZ2 LYS A 71 6.858 -17.211 13.123 1.00 3.05 H new ATOM 0 HZ3 LYS A 71 8.189 -18.216 12.804 1.00 3.05 H new ATOM 826 N ASP A 72 9.532 -10.434 10.321 1.00 0.73 N ATOM 827 CA ASP A 72 9.982 -9.657 9.129 1.00 0.53 C ATOM 828 C ASP A 72 11.220 -8.833 9.492 1.00 0.61 C ATOM 829 O ASP A 72 12.265 -8.969 8.887 1.00 0.92 O ATOM 830 CB ASP A 72 8.856 -8.725 8.680 1.00 0.31 C ATOM 831 CG ASP A 72 7.965 -9.454 7.674 1.00 1.35 C ATOM 832 OD1 ASP A 72 7.245 -10.348 8.089 1.00 2.54 O ATOM 833 OD2 ASP A 72 8.019 -9.109 6.505 1.00 1.32 O ATOM 0 H ASP A 72 8.555 -10.302 10.581 1.00 0.73 H new ATOM 0 HA ASP A 72 10.232 -10.342 8.319 1.00 0.53 H new ATOM 0 HB2 ASP A 72 8.267 -8.407 9.540 1.00 0.31 H new ATOM 0 HB3 ASP A 72 9.272 -7.825 8.228 1.00 0.31 H new ATOM 838 N GLY A 73 11.116 -7.988 10.482 1.00 0.49 N ATOM 839 CA GLY A 73 12.295 -7.167 10.885 1.00 0.81 C ATOM 840 C GLY A 73 11.978 -5.675 10.734 1.00 0.51 C ATOM 841 O GLY A 73 12.867 -4.852 10.642 1.00 0.60 O ATOM 0 H GLY A 73 10.269 -7.831 11.028 1.00 0.49 H new ATOM 0 HA2 GLY A 73 12.564 -7.386 11.918 1.00 0.81 H new ATOM 0 HA3 GLY A 73 13.156 -7.427 10.269 1.00 0.81 H new ATOM 845 N CYS A 74 10.723 -5.315 10.710 1.00 0.36 N ATOM 846 CA CYS A 74 10.368 -3.875 10.568 1.00 0.44 C ATOM 847 C CYS A 74 9.875 -3.332 11.910 1.00 0.52 C ATOM 848 O CYS A 74 9.048 -2.444 11.964 1.00 0.76 O ATOM 849 CB CYS A 74 9.264 -3.718 9.521 1.00 0.70 C ATOM 850 SG CYS A 74 9.903 -4.169 7.889 1.00 1.21 S ATOM 0 H CYS A 74 9.931 -5.954 10.782 1.00 0.36 H new ATOM 0 HA CYS A 74 11.250 -3.318 10.252 1.00 0.44 H new ATOM 0 HB2 CYS A 74 8.414 -4.351 9.777 1.00 0.70 H new ATOM 0 HB3 CYS A 74 8.904 -2.689 9.510 1.00 0.70 H new ATOM 855 N PHE A 75 10.375 -3.857 12.995 1.00 0.37 N ATOM 856 CA PHE A 75 9.931 -3.365 14.331 1.00 0.45 C ATOM 857 C PHE A 75 11.108 -3.403 15.309 1.00 0.31 C ATOM 858 O PHE A 75 12.138 -3.985 15.034 1.00 0.33 O ATOM 859 CB PHE A 75 8.802 -4.257 14.852 1.00 0.57 C ATOM 860 CG PHE A 75 7.474 -3.711 14.383 1.00 0.57 C ATOM 861 CD1 PHE A 75 7.082 -2.415 14.739 1.00 1.03 C ATOM 862 CD2 PHE A 75 6.633 -4.503 13.593 1.00 1.05 C ATOM 863 CE1 PHE A 75 5.851 -1.910 14.303 1.00 1.49 C ATOM 864 CE2 PHE A 75 5.402 -4.000 13.157 1.00 1.12 C ATOM 865 CZ PHE A 75 5.011 -2.702 13.512 1.00 1.28 C ATOM 0 H PHE A 75 11.070 -4.603 13.015 1.00 0.37 H new ATOM 0 HA PHE A 75 9.572 -2.340 14.240 1.00 0.45 H new ATOM 0 HB2 PHE A 75 8.935 -5.278 14.493 1.00 0.57 H new ATOM 0 HB3 PHE A 75 8.828 -4.296 15.941 1.00 0.57 H new ATOM 0 HD1 PHE A 75 7.730 -1.804 15.350 1.00 1.03 H new ATOM 0 HD2 PHE A 75 6.934 -5.503 13.320 1.00 1.05 H new ATOM 0 HE1 PHE A 75 5.550 -0.910 14.577 1.00 1.49 H new ATOM 0 HE2 PHE A 75 4.754 -4.612 12.547 1.00 1.12 H new ATOM 0 HZ PHE A 75 4.062 -2.313 13.175 1.00 1.28 H new ATOM 875 N GLN A 76 10.964 -2.781 16.450 1.00 0.65 N ATOM 876 CA GLN A 76 12.076 -2.776 17.445 1.00 0.75 C ATOM 877 C GLN A 76 12.487 -4.214 17.763 1.00 0.61 C ATOM 878 O GLN A 76 13.625 -4.598 17.586 1.00 0.61 O ATOM 879 CB GLN A 76 11.612 -2.082 18.730 1.00 0.98 C ATOM 880 CG GLN A 76 12.789 -1.330 19.357 1.00 1.15 C ATOM 881 CD GLN A 76 12.263 -0.221 20.271 1.00 1.79 C ATOM 882 OE1 GLN A 76 11.448 0.582 19.864 1.00 2.57 O ATOM 883 NE2 GLN A 76 12.700 -0.142 21.499 1.00 1.87 N ATOM 0 H GLN A 76 10.125 -2.277 16.735 1.00 0.65 H new ATOM 0 HA GLN A 76 12.929 -2.239 17.030 1.00 0.75 H new ATOM 0 HB2 GLN A 76 10.800 -1.389 18.509 1.00 0.98 H new ATOM 0 HB3 GLN A 76 11.221 -2.818 19.433 1.00 0.98 H new ATOM 0 HG2 GLN A 76 13.412 -2.020 19.927 1.00 1.15 H new ATOM 0 HG3 GLN A 76 13.418 -0.903 18.576 1.00 1.15 H new ATOM 0 HE21 GLN A 76 13.385 -0.816 21.841 1.00 1.87 H new ATOM 0 HE22 GLN A 76 12.357 0.594 22.116 1.00 1.87 H new ATOM 892 N SER A 77 11.569 -5.015 18.234 1.00 0.77 N ATOM 893 CA SER A 77 11.913 -6.427 18.560 1.00 0.67 C ATOM 894 C SER A 77 12.399 -7.137 17.295 1.00 0.77 C ATOM 895 O SER A 77 11.616 -7.637 16.513 1.00 1.21 O ATOM 896 CB SER A 77 10.676 -7.144 19.103 1.00 0.92 C ATOM 897 OG SER A 77 10.607 -6.963 20.510 1.00 1.62 O ATOM 0 H SER A 77 10.599 -4.752 18.406 1.00 0.77 H new ATOM 0 HA SER A 77 12.701 -6.443 19.313 1.00 0.67 H new ATOM 0 HB2 SER A 77 9.777 -6.750 18.630 1.00 0.92 H new ATOM 0 HB3 SER A 77 10.723 -8.206 18.864 1.00 0.92 H new ATOM 0 HG SER A 77 9.814 -7.420 20.860 1.00 1.62 H new ATOM 903 N GLY A 78 13.688 -7.184 17.088 1.00 0.59 N ATOM 904 CA GLY A 78 14.224 -7.861 15.872 1.00 0.69 C ATOM 905 C GLY A 78 14.242 -6.873 14.704 1.00 0.71 C ATOM 906 O GLY A 78 13.969 -7.228 13.575 1.00 0.78 O ATOM 0 H GLY A 78 14.392 -6.783 17.708 1.00 0.59 H new ATOM 0 HA2 GLY A 78 15.231 -8.232 16.064 1.00 0.69 H new ATOM 0 HA3 GLY A 78 13.608 -8.725 15.622 1.00 0.69 H new ATOM 910 N PHE A 79 14.558 -5.637 14.969 1.00 0.67 N ATOM 911 CA PHE A 79 14.592 -4.624 13.877 1.00 0.70 C ATOM 912 C PHE A 79 15.643 -5.017 12.837 1.00 0.66 C ATOM 913 O PHE A 79 16.576 -5.741 13.123 1.00 0.91 O ATOM 914 CB PHE A 79 14.947 -3.258 14.466 1.00 0.71 C ATOM 915 CG PHE A 79 14.777 -2.194 13.412 1.00 0.83 C ATOM 916 CD1 PHE A 79 13.497 -1.731 13.088 1.00 1.39 C ATOM 917 CD2 PHE A 79 15.898 -1.669 12.759 1.00 0.41 C ATOM 918 CE1 PHE A 79 13.338 -0.742 12.111 1.00 1.51 C ATOM 919 CE2 PHE A 79 15.739 -0.680 11.781 1.00 0.51 C ATOM 920 CZ PHE A 79 14.459 -0.216 11.457 1.00 1.06 C ATOM 0 H PHE A 79 14.795 -5.283 15.896 1.00 0.67 H new ATOM 0 HA PHE A 79 13.614 -4.576 13.399 1.00 0.70 H new ATOM 0 HB2 PHE A 79 14.307 -3.042 15.322 1.00 0.71 H new ATOM 0 HB3 PHE A 79 15.975 -3.263 14.830 1.00 0.71 H new ATOM 0 HD1 PHE A 79 12.632 -2.137 13.592 1.00 1.39 H new ATOM 0 HD2 PHE A 79 16.886 -2.027 13.010 1.00 0.41 H new ATOM 0 HE1 PHE A 79 12.350 -0.384 11.861 1.00 1.51 H new ATOM 0 HE2 PHE A 79 16.604 -0.275 11.277 1.00 0.51 H new ATOM 0 HZ PHE A 79 14.336 0.547 10.703 1.00 1.06 H new ATOM 930 N ASN A 80 15.501 -4.539 11.631 1.00 0.93 N ATOM 931 CA ASN A 80 16.490 -4.875 10.569 1.00 0.95 C ATOM 932 C ASN A 80 16.661 -3.670 9.642 1.00 1.07 C ATOM 933 O ASN A 80 16.219 -2.578 9.943 1.00 1.78 O ATOM 934 CB ASN A 80 15.989 -6.077 9.766 1.00 0.96 C ATOM 935 CG ASN A 80 16.774 -7.325 10.173 1.00 0.73 C ATOM 936 OD1 ASN A 80 17.776 -7.652 9.569 1.00 0.76 O ATOM 937 ND2 ASN A 80 16.358 -8.042 11.182 1.00 1.58 N ATOM 0 H ASN A 80 14.740 -3.928 11.335 1.00 0.93 H new ATOM 0 HA ASN A 80 17.449 -5.123 11.024 1.00 0.95 H new ATOM 0 HB2 ASN A 80 14.925 -6.229 9.945 1.00 0.96 H new ATOM 0 HB3 ASN A 80 16.109 -5.891 8.699 1.00 0.96 H new ATOM 0 HD21 ASN A 80 16.874 -8.876 11.462 1.00 1.58 H new ATOM 0 HD22 ASN A 80 15.517 -7.768 11.690 1.00 1.58 H new ATOM 944 N GLU A 81 17.301 -3.852 8.519 1.00 0.52 N ATOM 945 CA GLU A 81 17.498 -2.709 7.584 1.00 0.59 C ATOM 946 C GLU A 81 17.270 -3.174 6.145 1.00 0.64 C ATOM 947 O GLU A 81 16.392 -2.691 5.457 1.00 0.70 O ATOM 948 CB GLU A 81 18.929 -2.184 7.720 1.00 0.62 C ATOM 949 CG GLU A 81 19.225 -1.875 9.188 1.00 0.40 C ATOM 950 CD GLU A 81 20.577 -1.166 9.296 1.00 0.68 C ATOM 951 OE1 GLU A 81 20.909 -0.425 8.386 1.00 1.30 O ATOM 952 OE2 GLU A 81 21.256 -1.378 10.287 1.00 0.77 O ATOM 0 H GLU A 81 17.695 -4.741 8.210 1.00 0.52 H new ATOM 0 HA GLU A 81 16.788 -1.918 7.828 1.00 0.59 H new ATOM 0 HB2 GLU A 81 19.636 -2.924 7.344 1.00 0.62 H new ATOM 0 HB3 GLU A 81 19.056 -1.286 7.116 1.00 0.62 H new ATOM 0 HG2 GLU A 81 18.438 -1.246 9.604 1.00 0.40 H new ATOM 0 HG3 GLU A 81 19.238 -2.797 9.770 1.00 0.40 H new ATOM 959 N GLU A 82 18.063 -4.099 5.681 1.00 0.62 N ATOM 960 CA GLU A 82 17.903 -4.587 4.284 1.00 0.67 C ATOM 961 C GLU A 82 16.744 -5.583 4.206 1.00 0.58 C ATOM 962 O GLU A 82 16.160 -5.782 3.162 1.00 0.58 O ATOM 963 CB GLU A 82 19.196 -5.274 3.838 1.00 0.83 C ATOM 964 CG GLU A 82 19.847 -4.464 2.713 1.00 1.97 C ATOM 965 CD GLU A 82 20.217 -5.400 1.561 1.00 2.34 C ATOM 966 OE1 GLU A 82 19.410 -6.254 1.236 1.00 2.32 O ATOM 967 OE2 GLU A 82 21.302 -5.245 1.025 1.00 3.01 O ATOM 0 H GLU A 82 18.816 -4.538 6.210 1.00 0.62 H new ATOM 0 HA GLU A 82 17.689 -3.741 3.631 1.00 0.67 H new ATOM 0 HB2 GLU A 82 19.882 -5.362 4.680 1.00 0.83 H new ATOM 0 HB3 GLU A 82 18.982 -6.286 3.494 1.00 0.83 H new ATOM 0 HG2 GLU A 82 19.162 -3.692 2.363 1.00 1.97 H new ATOM 0 HG3 GLU A 82 20.737 -3.956 3.084 1.00 1.97 H new ATOM 974 N THR A 83 16.399 -6.208 5.298 1.00 0.54 N ATOM 975 CA THR A 83 15.276 -7.182 5.265 1.00 0.52 C ATOM 976 C THR A 83 13.958 -6.416 5.305 1.00 0.38 C ATOM 977 O THR A 83 12.977 -6.807 4.699 1.00 0.36 O ATOM 978 CB THR A 83 15.367 -8.114 6.475 1.00 0.59 C ATOM 979 OG1 THR A 83 16.722 -8.494 6.676 1.00 0.92 O ATOM 980 CG2 THR A 83 14.518 -9.359 6.226 1.00 0.89 C ATOM 0 H THR A 83 16.845 -6.086 6.207 1.00 0.54 H new ATOM 0 HA THR A 83 15.330 -7.777 4.354 1.00 0.52 H new ATOM 0 HB THR A 83 14.998 -7.598 7.361 1.00 0.59 H new ATOM 0 HG1 THR A 83 17.005 -8.233 7.577 1.00 0.92 H new ATOM 0 HG21 THR A 83 14.583 -10.022 7.088 1.00 0.89 H new ATOM 0 HG22 THR A 83 13.480 -9.066 6.071 1.00 0.89 H new ATOM 0 HG23 THR A 83 14.884 -9.878 5.340 1.00 0.89 H new ATOM 988 N CYS A 84 13.928 -5.320 6.009 1.00 0.31 N ATOM 989 CA CYS A 84 12.679 -4.525 6.081 1.00 0.19 C ATOM 990 C CYS A 84 12.485 -3.788 4.757 1.00 0.19 C ATOM 991 O CYS A 84 11.462 -3.903 4.111 1.00 0.14 O ATOM 992 CB CYS A 84 12.777 -3.512 7.224 1.00 0.13 C ATOM 993 SG CYS A 84 11.184 -2.677 7.427 1.00 0.79 S ATOM 0 H CYS A 84 14.716 -4.943 6.536 1.00 0.31 H new ATOM 0 HA CYS A 84 11.832 -5.186 6.264 1.00 0.19 H new ATOM 0 HB2 CYS A 84 13.056 -4.017 8.149 1.00 0.13 H new ATOM 0 HB3 CYS A 84 13.558 -2.782 7.011 1.00 0.13 H new ATOM 998 N LEU A 85 13.469 -3.036 4.346 1.00 0.39 N ATOM 999 CA LEU A 85 13.356 -2.291 3.061 1.00 0.47 C ATOM 1000 C LEU A 85 12.998 -3.261 1.936 1.00 0.48 C ATOM 1001 O LEU A 85 12.219 -2.946 1.059 1.00 0.46 O ATOM 1002 CB LEU A 85 14.694 -1.619 2.751 1.00 0.64 C ATOM 1003 CG LEU A 85 14.584 -0.830 1.446 1.00 0.42 C ATOM 1004 CD1 LEU A 85 13.469 0.212 1.567 1.00 0.64 C ATOM 1005 CD2 LEU A 85 15.913 -0.124 1.172 1.00 0.83 C ATOM 0 H LEU A 85 14.348 -2.905 4.846 1.00 0.39 H new ATOM 0 HA LEU A 85 12.576 -1.534 3.144 1.00 0.47 H new ATOM 0 HB2 LEU A 85 14.975 -0.953 3.567 1.00 0.64 H new ATOM 0 HB3 LEU A 85 15.479 -2.371 2.668 1.00 0.64 H new ATOM 0 HG LEU A 85 14.353 -1.511 0.627 1.00 0.42 H new ATOM 0 HD11 LEU A 85 13.393 0.773 0.636 1.00 0.64 H new ATOM 0 HD12 LEU A 85 12.522 -0.290 1.767 1.00 0.64 H new ATOM 0 HD13 LEU A 85 13.697 0.896 2.385 1.00 0.64 H new ATOM 0 HD21 LEU A 85 15.840 0.440 0.242 1.00 0.83 H new ATOM 0 HD22 LEU A 85 16.139 0.557 1.993 1.00 0.83 H new ATOM 0 HD23 LEU A 85 16.708 -0.865 1.085 1.00 0.83 H new ATOM 1017 N VAL A 86 13.550 -4.443 1.951 1.00 0.52 N ATOM 1018 CA VAL A 86 13.219 -5.420 0.878 1.00 0.57 C ATOM 1019 C VAL A 86 11.707 -5.679 0.907 1.00 0.49 C ATOM 1020 O VAL A 86 11.025 -5.541 -0.088 1.00 0.58 O ATOM 1021 CB VAL A 86 14.003 -6.725 1.111 1.00 0.63 C ATOM 1022 CG1 VAL A 86 13.422 -7.861 0.261 1.00 0.65 C ATOM 1023 CG2 VAL A 86 15.465 -6.510 0.709 1.00 0.73 C ATOM 0 H VAL A 86 14.211 -4.772 2.655 1.00 0.52 H new ATOM 0 HA VAL A 86 13.498 -5.025 -0.099 1.00 0.57 H new ATOM 0 HB VAL A 86 13.930 -6.994 2.165 1.00 0.63 H new ATOM 0 HG11 VAL A 86 13.989 -8.775 0.439 1.00 0.65 H new ATOM 0 HG12 VAL A 86 12.379 -8.022 0.533 1.00 0.65 H new ATOM 0 HG13 VAL A 86 13.485 -7.595 -0.794 1.00 0.65 H new ATOM 0 HG21 VAL A 86 16.026 -7.430 0.871 1.00 0.73 H new ATOM 0 HG22 VAL A 86 15.516 -6.235 -0.345 1.00 0.73 H new ATOM 0 HG23 VAL A 86 15.895 -5.711 1.314 1.00 0.73 H new ATOM 1033 N LYS A 87 11.175 -6.047 2.040 1.00 0.35 N ATOM 1034 CA LYS A 87 9.709 -6.305 2.118 1.00 0.31 C ATOM 1035 C LYS A 87 8.942 -5.067 1.642 1.00 0.24 C ATOM 1036 O LYS A 87 7.798 -5.152 1.242 1.00 0.20 O ATOM 1037 CB LYS A 87 9.321 -6.628 3.562 1.00 0.27 C ATOM 1038 CG LYS A 87 8.389 -7.840 3.576 1.00 0.44 C ATOM 1039 CD LYS A 87 9.181 -9.094 3.200 1.00 0.80 C ATOM 1040 CE LYS A 87 9.988 -9.567 4.411 1.00 1.82 C ATOM 1041 NZ LYS A 87 11.211 -10.280 3.947 1.00 3.12 N ATOM 0 H LYS A 87 11.689 -6.180 2.911 1.00 0.35 H new ATOM 0 HA LYS A 87 9.457 -7.152 1.479 1.00 0.31 H new ATOM 0 HB2 LYS A 87 10.213 -6.834 4.153 1.00 0.27 H new ATOM 0 HB3 LYS A 87 8.828 -5.770 4.019 1.00 0.27 H new ATOM 0 HG2 LYS A 87 7.945 -7.960 4.564 1.00 0.44 H new ATOM 0 HG3 LYS A 87 7.569 -7.690 2.874 1.00 0.44 H new ATOM 0 HD2 LYS A 87 8.502 -9.881 2.871 1.00 0.80 H new ATOM 0 HD3 LYS A 87 9.849 -8.879 2.365 1.00 0.80 H new ATOM 0 HE2 LYS A 87 10.265 -8.715 5.032 1.00 1.82 H new ATOM 0 HE3 LYS A 87 9.381 -10.229 5.029 1.00 1.82 H new ATOM 0 HZ1 LYS A 87 11.759 -10.601 4.770 1.00 3.12 H new ATOM 0 HZ2 LYS A 87 10.937 -11.102 3.372 1.00 3.12 H new ATOM 0 HZ3 LYS A 87 11.792 -9.635 3.374 1.00 3.12 H new ATOM 1055 N ILE A 88 9.562 -3.916 1.679 1.00 0.25 N ATOM 1056 CA ILE A 88 8.864 -2.677 1.224 1.00 0.21 C ATOM 1057 C ILE A 88 8.806 -2.656 -0.307 1.00 0.22 C ATOM 1058 O ILE A 88 7.832 -2.228 -0.892 1.00 0.13 O ATOM 1059 CB ILE A 88 9.627 -1.444 1.726 1.00 0.24 C ATOM 1060 CG1 ILE A 88 9.603 -1.416 3.257 1.00 0.29 C ATOM 1061 CG2 ILE A 88 8.975 -0.169 1.183 1.00 0.33 C ATOM 1062 CD1 ILE A 88 8.160 -1.324 3.753 1.00 0.34 C ATOM 0 H ILE A 88 10.519 -3.781 2.004 1.00 0.25 H new ATOM 0 HA ILE A 88 7.851 -2.663 1.626 1.00 0.21 H new ATOM 0 HB ILE A 88 10.658 -1.496 1.377 1.00 0.24 H new ATOM 0 HG12 ILE A 88 10.076 -2.314 3.653 1.00 0.29 H new ATOM 0 HG13 ILE A 88 10.178 -0.565 3.623 1.00 0.29 H new ATOM 0 HG21 ILE A 88 9.522 0.702 1.544 1.00 0.33 H new ATOM 0 HG22 ILE A 88 8.996 -0.185 0.093 1.00 0.33 H new ATOM 0 HG23 ILE A 88 7.941 -0.115 1.525 1.00 0.33 H new ATOM 0 HD11 ILE A 88 8.150 -1.305 4.843 1.00 0.34 H new ATOM 0 HD12 ILE A 88 7.701 -0.413 3.370 1.00 0.34 H new ATOM 0 HD13 ILE A 88 7.598 -2.189 3.401 1.00 0.34 H new ATOM 1074 N ILE A 89 9.842 -3.108 -0.962 1.00 0.37 N ATOM 1075 CA ILE A 89 9.837 -3.108 -2.453 1.00 0.42 C ATOM 1076 C ILE A 89 8.776 -4.096 -2.955 1.00 0.39 C ATOM 1077 O ILE A 89 7.933 -3.749 -3.758 1.00 0.42 O ATOM 1078 CB ILE A 89 11.234 -3.487 -2.967 1.00 0.57 C ATOM 1079 CG1 ILE A 89 12.186 -2.319 -2.697 1.00 0.87 C ATOM 1080 CG2 ILE A 89 11.194 -3.763 -4.476 1.00 0.41 C ATOM 1081 CD1 ILE A 89 13.597 -2.849 -2.442 1.00 0.55 C ATOM 0 H ILE A 89 10.689 -3.476 -0.530 1.00 0.37 H new ATOM 0 HA ILE A 89 9.590 -2.115 -2.830 1.00 0.42 H new ATOM 0 HB ILE A 89 11.574 -4.387 -2.455 1.00 0.57 H new ATOM 0 HG12 ILE A 89 12.192 -1.638 -3.548 1.00 0.87 H new ATOM 0 HG13 ILE A 89 11.841 -1.748 -1.835 1.00 0.87 H new ATOM 0 HG21 ILE A 89 12.192 -4.030 -4.824 1.00 0.41 H new ATOM 0 HG22 ILE A 89 10.507 -4.585 -4.677 1.00 0.41 H new ATOM 0 HG23 ILE A 89 10.854 -2.870 -5.000 1.00 0.41 H new ATOM 0 HD11 ILE A 89 14.270 -2.014 -2.250 1.00 0.55 H new ATOM 0 HD12 ILE A 89 13.586 -3.512 -1.577 1.00 0.55 H new ATOM 0 HD13 ILE A 89 13.942 -3.400 -3.317 1.00 0.55 H new ATOM 1093 N THR A 90 8.791 -5.317 -2.483 1.00 0.35 N ATOM 1094 CA THR A 90 7.755 -6.286 -2.944 1.00 0.39 C ATOM 1095 C THR A 90 6.401 -5.879 -2.358 1.00 0.36 C ATOM 1096 O THR A 90 5.359 -6.203 -2.891 1.00 0.43 O ATOM 1097 CB THR A 90 8.105 -7.705 -2.485 1.00 0.40 C ATOM 1098 OG1 THR A 90 6.983 -8.553 -2.686 1.00 1.29 O ATOM 1099 CG2 THR A 90 8.474 -7.694 -1.004 1.00 1.24 C ATOM 0 H THR A 90 9.465 -5.680 -1.809 1.00 0.35 H new ATOM 0 HA THR A 90 7.713 -6.274 -4.033 1.00 0.39 H new ATOM 0 HB THR A 90 8.953 -8.073 -3.063 1.00 0.40 H new ATOM 0 HG1 THR A 90 7.204 -9.462 -2.395 1.00 1.29 H new ATOM 0 HG21 THR A 90 8.722 -8.706 -0.683 1.00 1.24 H new ATOM 0 HG22 THR A 90 9.334 -7.043 -0.848 1.00 1.24 H new ATOM 0 HG23 THR A 90 7.630 -7.325 -0.421 1.00 1.24 H new ATOM 1107 N GLY A 91 6.411 -5.160 -1.266 1.00 0.27 N ATOM 1108 CA GLY A 91 5.128 -4.720 -0.647 1.00 0.26 C ATOM 1109 C GLY A 91 4.551 -3.555 -1.453 1.00 0.31 C ATOM 1110 O GLY A 91 3.366 -3.291 -1.418 1.00 0.42 O ATOM 0 H GLY A 91 7.254 -4.859 -0.776 1.00 0.27 H new ATOM 0 HA2 GLY A 91 4.419 -5.548 -0.624 1.00 0.26 H new ATOM 0 HA3 GLY A 91 5.295 -4.415 0.386 1.00 0.26 H new ATOM 1114 N LEU A 92 5.378 -2.859 -2.186 1.00 0.24 N ATOM 1115 CA LEU A 92 4.871 -1.718 -2.995 1.00 0.27 C ATOM 1116 C LEU A 92 4.376 -2.251 -4.345 1.00 0.27 C ATOM 1117 O LEU A 92 3.467 -1.710 -4.937 1.00 0.24 O ATOM 1118 CB LEU A 92 5.995 -0.702 -3.221 1.00 0.26 C ATOM 1119 CG LEU A 92 6.247 0.078 -1.927 1.00 0.28 C ATOM 1120 CD1 LEU A 92 7.544 0.880 -2.055 1.00 0.30 C ATOM 1121 CD2 LEU A 92 5.082 1.039 -1.672 1.00 0.45 C ATOM 0 H LEU A 92 6.381 -3.032 -2.258 1.00 0.24 H new ATOM 0 HA LEU A 92 4.053 -1.227 -2.468 1.00 0.27 H new ATOM 0 HB2 LEU A 92 6.905 -1.214 -3.532 1.00 0.26 H new ATOM 0 HB3 LEU A 92 5.724 -0.017 -4.024 1.00 0.26 H new ATOM 0 HG LEU A 92 6.332 -0.622 -1.096 1.00 0.28 H new ATOM 0 HD11 LEU A 92 7.722 1.434 -1.133 1.00 0.30 H new ATOM 0 HD12 LEU A 92 8.376 0.200 -2.235 1.00 0.30 H new ATOM 0 HD13 LEU A 92 7.459 1.578 -2.888 1.00 0.30 H new ATOM 0 HD21 LEU A 92 5.263 1.593 -0.751 1.00 0.45 H new ATOM 0 HD22 LEU A 92 4.997 1.737 -2.505 1.00 0.45 H new ATOM 0 HD23 LEU A 92 4.156 0.472 -1.578 1.00 0.45 H new ATOM 1133 N LEU A 93 4.962 -3.318 -4.827 1.00 0.29 N ATOM 1134 CA LEU A 93 4.512 -3.896 -6.129 1.00 0.28 C ATOM 1135 C LEU A 93 3.115 -4.495 -5.928 1.00 0.22 C ATOM 1136 O LEU A 93 2.191 -4.238 -6.687 1.00 0.12 O ATOM 1137 CB LEU A 93 5.496 -4.985 -6.576 1.00 0.36 C ATOM 1138 CG LEU A 93 6.909 -4.395 -6.647 1.00 0.42 C ATOM 1139 CD1 LEU A 93 7.937 -5.473 -6.296 1.00 0.38 C ATOM 1140 CD2 LEU A 93 7.177 -3.881 -8.064 1.00 0.59 C ATOM 0 H LEU A 93 5.731 -3.813 -4.376 1.00 0.29 H new ATOM 0 HA LEU A 93 4.478 -3.124 -6.898 1.00 0.28 H new ATOM 0 HB2 LEU A 93 5.473 -5.821 -5.876 1.00 0.36 H new ATOM 0 HB3 LEU A 93 5.204 -5.377 -7.550 1.00 0.36 H new ATOM 0 HG LEU A 93 6.991 -3.572 -5.937 1.00 0.42 H new ATOM 0 HD11 LEU A 93 8.940 -5.050 -6.348 1.00 0.38 H new ATOM 0 HD12 LEU A 93 7.749 -5.840 -5.287 1.00 0.38 H new ATOM 0 HD13 LEU A 93 7.855 -6.298 -7.003 1.00 0.38 H new ATOM 0 HD21 LEU A 93 8.182 -3.461 -8.115 1.00 0.59 H new ATOM 0 HD22 LEU A 93 7.092 -4.705 -8.772 1.00 0.59 H new ATOM 0 HD23 LEU A 93 6.449 -3.110 -8.315 1.00 0.59 H new ATOM 1152 N GLU A 94 2.944 -5.263 -4.886 1.00 0.30 N ATOM 1153 CA GLU A 94 1.602 -5.837 -4.610 1.00 0.28 C ATOM 1154 C GLU A 94 0.671 -4.664 -4.321 1.00 0.24 C ATOM 1155 O GLU A 94 -0.455 -4.614 -4.768 1.00 0.21 O ATOM 1156 CB GLU A 94 1.673 -6.766 -3.394 1.00 0.36 C ATOM 1157 CG GLU A 94 2.134 -5.977 -2.167 1.00 2.82 C ATOM 1158 CD GLU A 94 2.485 -6.948 -1.039 1.00 3.45 C ATOM 1159 OE1 GLU A 94 3.496 -7.620 -1.156 1.00 3.68 O ATOM 1160 OE2 GLU A 94 1.738 -7.001 -0.075 1.00 4.35 O ATOM 0 H GLU A 94 3.673 -5.515 -4.219 1.00 0.30 H new ATOM 0 HA GLU A 94 1.241 -6.420 -5.457 1.00 0.28 H new ATOM 0 HB2 GLU A 94 0.695 -7.210 -3.206 1.00 0.36 H new ATOM 0 HB3 GLU A 94 2.363 -7.586 -3.591 1.00 0.36 H new ATOM 0 HG2 GLU A 94 3.001 -5.366 -2.419 1.00 2.82 H new ATOM 0 HG3 GLU A 94 1.347 -5.295 -1.843 1.00 2.82 H new ATOM 1167 N PHE A 95 1.162 -3.694 -3.604 1.00 0.26 N ATOM 1168 CA PHE A 95 0.343 -2.490 -3.310 1.00 0.23 C ATOM 1169 C PHE A 95 -0.064 -1.855 -4.640 1.00 0.16 C ATOM 1170 O PHE A 95 -1.082 -1.208 -4.749 1.00 0.17 O ATOM 1171 CB PHE A 95 1.201 -1.494 -2.525 1.00 0.27 C ATOM 1172 CG PHE A 95 0.933 -1.597 -1.040 1.00 0.40 C ATOM 1173 CD1 PHE A 95 0.527 -2.812 -0.469 1.00 0.34 C ATOM 1174 CD2 PHE A 95 1.107 -0.469 -0.230 1.00 0.92 C ATOM 1175 CE1 PHE A 95 0.292 -2.893 0.906 1.00 0.36 C ATOM 1176 CE2 PHE A 95 0.874 -0.552 1.146 1.00 1.05 C ATOM 1177 CZ PHE A 95 0.465 -1.764 1.715 1.00 0.66 C ATOM 0 H PHE A 95 2.102 -3.685 -3.207 1.00 0.26 H new ATOM 0 HA PHE A 95 -0.540 -2.757 -2.730 1.00 0.23 H new ATOM 0 HB2 PHE A 95 2.256 -1.684 -2.721 1.00 0.27 H new ATOM 0 HB3 PHE A 95 0.991 -0.480 -2.866 1.00 0.27 H new ATOM 0 HD1 PHE A 95 0.396 -3.685 -1.092 1.00 0.34 H new ATOM 0 HD2 PHE A 95 1.422 0.467 -0.668 1.00 0.92 H new ATOM 0 HE1 PHE A 95 -0.024 -3.828 1.345 1.00 0.36 H new ATOM 0 HE2 PHE A 95 1.010 0.319 1.770 1.00 1.05 H new ATOM 0 HZ PHE A 95 0.283 -1.828 2.778 1.00 0.66 H new ATOM 1187 N GLU A 96 0.750 -2.037 -5.649 1.00 0.11 N ATOM 1188 CA GLU A 96 0.455 -1.453 -6.987 1.00 0.06 C ATOM 1189 C GLU A 96 -0.797 -2.097 -7.584 1.00 0.04 C ATOM 1190 O GLU A 96 -1.655 -1.416 -8.104 1.00 0.08 O ATOM 1191 CB GLU A 96 1.641 -1.697 -7.913 1.00 0.06 C ATOM 1192 CG GLU A 96 1.753 -0.547 -8.911 1.00 0.56 C ATOM 1193 CD GLU A 96 0.764 -0.767 -10.058 1.00 1.03 C ATOM 1194 OE1 GLU A 96 0.347 -1.897 -10.248 1.00 1.28 O ATOM 1195 OE2 GLU A 96 0.441 0.201 -10.729 1.00 1.63 O ATOM 0 H GLU A 96 1.617 -2.573 -5.599 1.00 0.11 H new ATOM 0 HA GLU A 96 0.282 -0.382 -6.878 1.00 0.06 H new ATOM 0 HB2 GLU A 96 2.559 -1.779 -7.331 1.00 0.06 H new ATOM 0 HB3 GLU A 96 1.514 -2.641 -8.443 1.00 0.06 H new ATOM 0 HG2 GLU A 96 1.545 0.401 -8.414 1.00 0.56 H new ATOM 0 HG3 GLU A 96 2.769 -0.487 -9.300 1.00 0.56 H new ATOM 1202 N VAL A 97 -0.921 -3.398 -7.525 1.00 0.06 N ATOM 1203 CA VAL A 97 -2.154 -4.023 -8.101 1.00 0.09 C ATOM 1204 C VAL A 97 -3.363 -3.490 -7.317 1.00 0.10 C ATOM 1205 O VAL A 97 -4.390 -3.146 -7.879 1.00 0.09 O ATOM 1206 CB VAL A 97 -2.066 -5.567 -8.041 1.00 0.13 C ATOM 1207 CG1 VAL A 97 -2.444 -6.110 -6.653 1.00 0.15 C ATOM 1208 CG2 VAL A 97 -3.018 -6.157 -9.085 1.00 0.35 C ATOM 0 H VAL A 97 -0.244 -4.041 -7.115 1.00 0.06 H new ATOM 0 HA VAL A 97 -2.259 -3.760 -9.154 1.00 0.09 H new ATOM 0 HB VAL A 97 -1.035 -5.856 -8.244 1.00 0.13 H new ATOM 0 HG11 VAL A 97 -2.369 -7.197 -6.655 1.00 0.15 H new ATOM 0 HG12 VAL A 97 -1.765 -5.701 -5.905 1.00 0.15 H new ATOM 0 HG13 VAL A 97 -3.466 -5.817 -6.414 1.00 0.15 H new ATOM 0 HG21 VAL A 97 -2.965 -7.245 -9.052 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -4.037 -5.837 -8.870 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -2.730 -5.809 -10.077 1.00 0.35 H new ATOM 1218 N TYR A 98 -3.235 -3.391 -6.020 1.00 0.13 N ATOM 1219 CA TYR A 98 -4.355 -2.849 -5.203 1.00 0.13 C ATOM 1220 C TYR A 98 -4.520 -1.366 -5.548 1.00 0.13 C ATOM 1221 O TYR A 98 -5.582 -0.788 -5.399 1.00 0.12 O ATOM 1222 CB TYR A 98 -4.035 -3.012 -3.715 1.00 0.14 C ATOM 1223 CG TYR A 98 -3.845 -4.478 -3.404 1.00 0.26 C ATOM 1224 CD1 TYR A 98 -4.938 -5.353 -3.455 1.00 0.45 C ATOM 1225 CD2 TYR A 98 -2.574 -4.964 -3.073 1.00 0.28 C ATOM 1226 CE1 TYR A 98 -4.760 -6.713 -3.173 1.00 0.58 C ATOM 1227 CE2 TYR A 98 -2.397 -6.324 -2.791 1.00 0.44 C ATOM 1228 CZ TYR A 98 -3.489 -7.197 -2.841 1.00 0.56 C ATOM 1229 OH TYR A 98 -3.314 -8.536 -2.562 1.00 0.71 O ATOM 0 H TYR A 98 -2.404 -3.662 -5.494 1.00 0.13 H new ATOM 0 HA TYR A 98 -5.278 -3.387 -5.417 1.00 0.13 H new ATOM 0 HB2 TYR A 98 -3.133 -2.455 -3.462 1.00 0.14 H new ATOM 0 HB3 TYR A 98 -4.844 -2.602 -3.110 1.00 0.14 H new ATOM 0 HD1 TYR A 98 -5.918 -4.979 -3.712 1.00 0.45 H new ATOM 0 HD2 TYR A 98 -1.731 -4.290 -3.035 1.00 0.28 H new ATOM 0 HE1 TYR A 98 -5.602 -7.388 -3.212 1.00 0.58 H new ATOM 0 HE2 TYR A 98 -1.417 -6.699 -2.535 1.00 0.44 H new ATOM 0 HH TYR A 98 -2.372 -8.706 -2.352 1.00 0.71 H new ATOM 1239 N LEU A 99 -3.482 -0.753 -6.054 1.00 0.13 N ATOM 1240 CA LEU A 99 -3.588 0.669 -6.457 1.00 0.13 C ATOM 1241 C LEU A 99 -4.415 0.697 -7.732 1.00 0.12 C ATOM 1242 O LEU A 99 -5.161 1.620 -7.986 1.00 0.11 O ATOM 1243 CB LEU A 99 -2.200 1.257 -6.710 1.00 0.12 C ATOM 1244 CG LEU A 99 -1.558 1.612 -5.373 1.00 0.06 C ATOM 1245 CD1 LEU A 99 -0.043 1.734 -5.546 1.00 0.08 C ATOM 1246 CD2 LEU A 99 -2.124 2.942 -4.885 1.00 0.31 C ATOM 0 H LEU A 99 -2.568 -1.181 -6.203 1.00 0.13 H new ATOM 0 HA LEU A 99 -4.054 1.265 -5.673 1.00 0.13 H new ATOM 0 HB2 LEU A 99 -1.579 0.539 -7.246 1.00 0.12 H new ATOM 0 HB3 LEU A 99 -2.276 2.145 -7.338 1.00 0.12 H new ATOM 0 HG LEU A 99 -1.774 0.830 -4.645 1.00 0.06 H new ATOM 0 HD11 LEU A 99 0.413 1.988 -4.589 1.00 0.08 H new ATOM 0 HD12 LEU A 99 0.360 0.785 -5.900 1.00 0.08 H new ATOM 0 HD13 LEU A 99 0.178 2.516 -6.272 1.00 0.08 H new ATOM 0 HD21 LEU A 99 -1.669 3.202 -3.929 1.00 0.31 H new ATOM 0 HD22 LEU A 99 -1.904 3.721 -5.615 1.00 0.31 H new ATOM 0 HD23 LEU A 99 -3.203 2.855 -4.761 1.00 0.31 H new ATOM 1258 N GLU A 100 -4.335 -0.359 -8.504 1.00 0.12 N ATOM 1259 CA GLU A 100 -5.162 -0.457 -9.725 1.00 0.13 C ATOM 1260 C GLU A 100 -6.606 -0.423 -9.247 1.00 0.11 C ATOM 1261 O GLU A 100 -7.485 0.130 -9.878 1.00 0.12 O ATOM 1262 CB GLU A 100 -4.876 -1.792 -10.418 1.00 0.16 C ATOM 1263 CG GLU A 100 -4.931 -1.612 -11.935 1.00 0.11 C ATOM 1264 CD GLU A 100 -6.326 -1.137 -12.347 1.00 0.72 C ATOM 1265 OE1 GLU A 100 -7.249 -1.931 -12.268 1.00 1.44 O ATOM 1266 OE2 GLU A 100 -6.447 0.013 -12.735 1.00 0.75 O ATOM 0 H GLU A 100 -3.725 -1.158 -8.331 1.00 0.12 H new ATOM 0 HA GLU A 100 -4.954 0.347 -10.431 1.00 0.13 H new ATOM 0 HB2 GLU A 100 -3.894 -2.162 -10.122 1.00 0.16 H new ATOM 0 HB3 GLU A 100 -5.606 -2.538 -10.105 1.00 0.16 H new ATOM 0 HG2 GLU A 100 -4.181 -0.888 -12.252 1.00 0.11 H new ATOM 0 HG3 GLU A 100 -4.695 -2.553 -12.432 1.00 0.11 H new ATOM 1273 N TYR A 101 -6.829 -0.998 -8.094 1.00 0.10 N ATOM 1274 CA TYR A 101 -8.180 -0.996 -7.496 1.00 0.11 C ATOM 1275 C TYR A 101 -8.633 0.444 -7.325 1.00 0.08 C ATOM 1276 O TYR A 101 -9.721 0.823 -7.714 1.00 0.09 O ATOM 1277 CB TYR A 101 -8.119 -1.671 -6.124 1.00 0.11 C ATOM 1278 CG TYR A 101 -9.199 -2.709 -6.038 1.00 0.17 C ATOM 1279 CD1 TYR A 101 -9.329 -3.649 -7.058 1.00 0.21 C ATOM 1280 CD2 TYR A 101 -10.071 -2.726 -4.946 1.00 0.22 C ATOM 1281 CE1 TYR A 101 -10.336 -4.615 -6.996 1.00 0.31 C ATOM 1282 CE2 TYR A 101 -11.079 -3.693 -4.879 1.00 0.31 C ATOM 1283 CZ TYR A 101 -11.214 -4.638 -5.905 1.00 0.35 C ATOM 1284 OH TYR A 101 -12.212 -5.588 -5.845 1.00 0.45 O ATOM 0 H TYR A 101 -6.117 -1.473 -7.540 1.00 0.10 H new ATOM 0 HA TYR A 101 -8.878 -1.533 -8.139 1.00 0.11 H new ATOM 0 HB2 TYR A 101 -7.142 -2.132 -5.975 1.00 0.11 H new ATOM 0 HB3 TYR A 101 -8.246 -0.930 -5.335 1.00 0.11 H new ATOM 0 HD1 TYR A 101 -8.650 -3.631 -7.898 1.00 0.21 H new ATOM 0 HD2 TYR A 101 -9.967 -1.996 -4.157 1.00 0.22 H new ATOM 0 HE1 TYR A 101 -10.437 -5.343 -7.788 1.00 0.31 H new ATOM 0 HE2 TYR A 101 -11.754 -3.712 -4.036 1.00 0.31 H new ATOM 0 HH TYR A 101 -12.121 -6.106 -5.018 1.00 0.45 H new ATOM 1294 N LEU A 102 -7.805 1.244 -6.727 1.00 0.05 N ATOM 1295 CA LEU A 102 -8.168 2.667 -6.500 1.00 0.06 C ATOM 1296 C LEU A 102 -7.684 3.534 -7.670 1.00 0.11 C ATOM 1297 O LEU A 102 -7.755 4.746 -7.624 1.00 0.17 O ATOM 1298 CB LEU A 102 -7.520 3.142 -5.200 1.00 0.10 C ATOM 1299 CG LEU A 102 -7.711 2.077 -4.115 1.00 0.08 C ATOM 1300 CD1 LEU A 102 -6.397 1.874 -3.367 1.00 0.09 C ATOM 1301 CD2 LEU A 102 -8.795 2.533 -3.144 1.00 0.13 C ATOM 0 H LEU A 102 -6.884 0.973 -6.382 1.00 0.05 H new ATOM 0 HA LEU A 102 -9.252 2.757 -6.429 1.00 0.06 H new ATOM 0 HB2 LEU A 102 -6.458 3.329 -5.358 1.00 0.10 H new ATOM 0 HB3 LEU A 102 -7.966 4.084 -4.882 1.00 0.10 H new ATOM 0 HG LEU A 102 -8.012 1.135 -4.573 1.00 0.08 H new ATOM 0 HD11 LEU A 102 -6.531 1.117 -2.595 1.00 0.09 H new ATOM 0 HD12 LEU A 102 -5.627 1.547 -4.066 1.00 0.09 H new ATOM 0 HD13 LEU A 102 -6.092 2.813 -2.905 1.00 0.09 H new ATOM 0 HD21 LEU A 102 -8.933 1.777 -2.371 1.00 0.13 H new ATOM 0 HD22 LEU A 102 -8.497 3.474 -2.682 1.00 0.13 H new ATOM 0 HD23 LEU A 102 -9.731 2.674 -3.684 1.00 0.13 H new ATOM 1313 N GLN A 103 -7.200 2.927 -8.722 1.00 0.14 N ATOM 1314 CA GLN A 103 -6.722 3.723 -9.885 1.00 0.22 C ATOM 1315 C GLN A 103 -7.826 3.770 -10.945 1.00 0.54 C ATOM 1316 O GLN A 103 -7.569 3.965 -12.116 1.00 1.30 O ATOM 1317 CB GLN A 103 -5.479 3.059 -10.482 1.00 0.21 C ATOM 1318 CG GLN A 103 -4.878 3.966 -11.557 1.00 0.18 C ATOM 1319 CD GLN A 103 -4.618 3.150 -12.825 1.00 0.29 C ATOM 1320 OE1 GLN A 103 -5.513 2.517 -13.348 1.00 1.21 O ATOM 1321 NE2 GLN A 103 -3.422 3.141 -13.345 1.00 0.93 N ATOM 0 H GLN A 103 -7.116 1.916 -8.824 1.00 0.14 H new ATOM 0 HA GLN A 103 -6.474 4.734 -9.561 1.00 0.22 H new ATOM 0 HB2 GLN A 103 -4.744 2.870 -9.699 1.00 0.21 H new ATOM 0 HB3 GLN A 103 -5.742 2.093 -10.913 1.00 0.21 H new ATOM 0 HG2 GLN A 103 -5.558 4.790 -11.775 1.00 0.18 H new ATOM 0 HG3 GLN A 103 -3.948 4.407 -11.198 1.00 0.18 H new ATOM 0 HE21 GLN A 103 -2.671 3.673 -12.905 1.00 0.93 H new ATOM 0 HE22 GLN A 103 -3.238 2.602 -14.191 1.00 0.93 H new ATOM 1330 N ASN A 104 -9.053 3.583 -10.541 1.00 0.17 N ATOM 1331 CA ASN A 104 -10.172 3.605 -11.521 1.00 0.32 C ATOM 1332 C ASN A 104 -11.500 3.556 -10.765 1.00 0.35 C ATOM 1333 O ASN A 104 -12.456 4.220 -11.116 1.00 0.34 O ATOM 1334 CB ASN A 104 -10.058 2.383 -12.436 1.00 0.53 C ATOM 1335 CG ASN A 104 -9.642 2.824 -13.842 1.00 0.99 C ATOM 1336 OD1 ASN A 104 -9.322 3.976 -14.063 1.00 1.22 O ATOM 1337 ND2 ASN A 104 -9.633 1.947 -14.809 1.00 1.72 N ATOM 0 H ASN A 104 -9.327 3.416 -9.573 1.00 0.17 H new ATOM 0 HA ASN A 104 -10.127 4.515 -12.119 1.00 0.32 H new ATOM 0 HB2 ASN A 104 -9.326 1.683 -12.033 1.00 0.53 H new ATOM 0 HB3 ASN A 104 -11.012 1.858 -12.477 1.00 0.53 H new ATOM 0 HD21 ASN A 104 -9.357 2.228 -15.750 1.00 1.72 H new ATOM 0 HD22 ASN A 104 -9.901 0.981 -14.624 1.00 1.72 H new ATOM 1344 N ARG A 105 -11.563 2.772 -9.724 1.00 0.38 N ATOM 1345 CA ARG A 105 -12.821 2.672 -8.935 1.00 0.41 C ATOM 1346 C ARG A 105 -13.202 4.053 -8.393 1.00 0.43 C ATOM 1347 O ARG A 105 -14.361 4.343 -8.171 1.00 0.45 O ATOM 1348 CB ARG A 105 -12.605 1.706 -7.769 1.00 0.45 C ATOM 1349 CG ARG A 105 -13.954 1.340 -7.151 1.00 0.76 C ATOM 1350 CD ARG A 105 -14.393 -0.033 -7.661 1.00 1.17 C ATOM 1351 NE ARG A 105 -15.867 -0.174 -7.502 1.00 1.40 N ATOM 1352 CZ ARG A 105 -16.636 -0.236 -8.556 1.00 2.08 C ATOM 1353 NH1 ARG A 105 -17.082 0.862 -9.105 1.00 2.60 N ATOM 1354 NH2 ARG A 105 -16.956 -1.394 -9.064 1.00 2.95 N ATOM 0 H ARG A 105 -10.793 2.194 -9.385 1.00 0.38 H new ATOM 0 HA ARG A 105 -13.625 2.305 -9.573 1.00 0.41 H new ATOM 0 HB2 ARG A 105 -12.097 0.807 -8.118 1.00 0.45 H new ATOM 0 HB3 ARG A 105 -11.962 2.164 -7.018 1.00 0.45 H new ATOM 0 HG2 ARG A 105 -13.877 1.328 -6.064 1.00 0.76 H new ATOM 0 HG3 ARG A 105 -14.700 2.091 -7.409 1.00 0.76 H new ATOM 0 HD2 ARG A 105 -14.117 -0.149 -8.709 1.00 1.17 H new ATOM 0 HD3 ARG A 105 -13.880 -0.819 -7.107 1.00 1.17 H new ATOM 0 HE ARG A 105 -16.276 -0.222 -6.569 1.00 1.40 H new ATOM 0 HH11 ARG A 105 -16.830 1.768 -8.711 1.00 2.60 H new ATOM 0 HH12 ARG A 105 -17.682 0.813 -9.928 1.00 2.60 H new ATOM 0 HH21 ARG A 105 -16.606 -2.252 -8.638 1.00 2.95 H new ATOM 0 HH22 ARG A 105 -17.557 -1.441 -9.887 1.00 2.95 H new ATOM 1368 N PHE A 106 -12.238 4.907 -8.180 1.00 0.42 N ATOM 1369 CA PHE A 106 -12.548 6.268 -7.654 1.00 0.44 C ATOM 1370 C PHE A 106 -13.119 7.132 -8.782 1.00 0.55 C ATOM 1371 O PHE A 106 -12.413 7.535 -9.685 1.00 0.81 O ATOM 1372 CB PHE A 106 -11.269 6.916 -7.120 1.00 0.36 C ATOM 1373 CG PHE A 106 -11.244 6.828 -5.612 1.00 0.19 C ATOM 1374 CD1 PHE A 106 -12.088 7.643 -4.847 1.00 0.56 C ATOM 1375 CD2 PHE A 106 -10.375 5.933 -4.975 1.00 0.70 C ATOM 1376 CE1 PHE A 106 -12.064 7.563 -3.450 1.00 0.67 C ATOM 1377 CE2 PHE A 106 -10.351 5.851 -3.578 1.00 0.60 C ATOM 1378 CZ PHE A 106 -11.195 6.667 -2.815 1.00 0.15 C ATOM 0 H PHE A 106 -11.249 4.722 -8.347 1.00 0.42 H new ATOM 0 HA PHE A 106 -13.278 6.186 -6.849 1.00 0.44 H new ATOM 0 HB2 PHE A 106 -10.395 6.416 -7.537 1.00 0.36 H new ATOM 0 HB3 PHE A 106 -11.220 7.959 -7.434 1.00 0.36 H new ATOM 0 HD1 PHE A 106 -12.758 8.334 -5.336 1.00 0.56 H new ATOM 0 HD2 PHE A 106 -9.722 5.305 -5.563 1.00 0.70 H new ATOM 0 HE1 PHE A 106 -12.716 8.192 -2.862 1.00 0.67 H new ATOM 0 HE2 PHE A 106 -9.682 5.159 -3.089 1.00 0.60 H new ATOM 0 HZ PHE A 106 -11.176 6.605 -1.737 1.00 0.15 H new ATOM 1388 N GLU A 107 -14.390 7.424 -8.736 1.00 0.66 N ATOM 1389 CA GLU A 107 -15.000 8.267 -9.804 1.00 0.80 C ATOM 1390 C GLU A 107 -15.264 9.672 -9.256 1.00 0.80 C ATOM 1391 O GLU A 107 -15.364 10.630 -9.997 1.00 0.84 O ATOM 1392 CB GLU A 107 -16.318 7.636 -10.266 1.00 0.97 C ATOM 1393 CG GLU A 107 -17.308 7.598 -9.099 1.00 1.79 C ATOM 1394 CD GLU A 107 -18.688 7.181 -9.613 1.00 2.18 C ATOM 1395 OE1 GLU A 107 -18.764 6.175 -10.300 1.00 2.25 O ATOM 1396 OE2 GLU A 107 -19.644 7.876 -9.312 1.00 2.61 O ATOM 0 H GLU A 107 -15.032 7.116 -8.006 1.00 0.66 H new ATOM 0 HA GLU A 107 -14.317 8.332 -10.651 1.00 0.80 H new ATOM 0 HB2 GLU A 107 -16.737 8.210 -11.093 1.00 0.97 H new ATOM 0 HB3 GLU A 107 -16.139 6.627 -10.637 1.00 0.97 H new ATOM 0 HG2 GLU A 107 -16.964 6.896 -8.339 1.00 1.79 H new ATOM 0 HG3 GLU A 107 -17.366 8.578 -8.625 1.00 1.79 H new ATOM 1403 N SER A 108 -15.367 9.802 -7.961 1.00 0.77 N ATOM 1404 CA SER A 108 -15.611 11.143 -7.360 1.00 0.79 C ATOM 1405 C SER A 108 -14.264 11.789 -7.047 1.00 0.71 C ATOM 1406 O SER A 108 -14.032 12.948 -7.330 1.00 0.70 O ATOM 1407 CB SER A 108 -16.415 10.988 -6.068 1.00 0.84 C ATOM 1408 OG SER A 108 -16.138 9.717 -5.494 1.00 2.06 O ATOM 0 H SER A 108 -15.292 9.035 -7.293 1.00 0.77 H new ATOM 0 HA SER A 108 -16.172 11.766 -8.056 1.00 0.79 H new ATOM 0 HB2 SER A 108 -16.156 11.781 -5.367 1.00 0.84 H new ATOM 0 HB3 SER A 108 -17.481 11.082 -6.275 1.00 0.84 H new ATOM 0 HG SER A 108 -16.650 9.614 -4.665 1.00 2.06 H new ATOM 1414 N SER A 109 -13.371 11.030 -6.474 1.00 0.65 N ATOM 1415 CA SER A 109 -12.024 11.566 -6.146 1.00 0.58 C ATOM 1416 C SER A 109 -11.007 10.884 -7.053 1.00 0.50 C ATOM 1417 O SER A 109 -9.892 10.605 -6.661 1.00 0.37 O ATOM 1418 CB SER A 109 -11.697 11.258 -4.682 1.00 0.59 C ATOM 1419 OG SER A 109 -10.614 12.074 -4.258 1.00 0.71 O ATOM 0 H SER A 109 -13.520 10.054 -6.218 1.00 0.65 H new ATOM 0 HA SER A 109 -11.997 12.645 -6.296 1.00 0.58 H new ATOM 0 HB2 SER A 109 -12.571 11.441 -4.057 1.00 0.59 H new ATOM 0 HB3 SER A 109 -11.439 10.205 -4.569 1.00 0.59 H new ATOM 0 HG SER A 109 -10.405 11.879 -3.321 1.00 0.71 H new ATOM 1425 N GLU A 110 -11.401 10.597 -8.265 1.00 0.59 N ATOM 1426 CA GLU A 110 -10.491 9.911 -9.222 1.00 0.56 C ATOM 1427 C GLU A 110 -9.105 10.569 -9.221 1.00 0.49 C ATOM 1428 O GLU A 110 -8.099 9.921 -9.018 1.00 0.48 O ATOM 1429 CB GLU A 110 -11.092 9.996 -10.626 1.00 0.71 C ATOM 1430 CG GLU A 110 -10.268 9.137 -11.586 1.00 0.58 C ATOM 1431 CD GLU A 110 -9.403 10.025 -12.489 1.00 1.29 C ATOM 1432 OE1 GLU A 110 -9.461 11.235 -12.340 1.00 2.18 O ATOM 1433 OE2 GLU A 110 -8.695 9.477 -13.317 1.00 1.70 O ATOM 0 H GLU A 110 -12.327 10.812 -8.635 1.00 0.59 H new ATOM 0 HA GLU A 110 -10.380 8.870 -8.920 1.00 0.56 H new ATOM 0 HB2 GLU A 110 -12.127 9.654 -10.612 1.00 0.71 H new ATOM 0 HB3 GLU A 110 -11.104 11.031 -10.966 1.00 0.71 H new ATOM 0 HG2 GLU A 110 -9.633 8.455 -11.020 1.00 0.58 H new ATOM 0 HG3 GLU A 110 -10.931 8.524 -12.196 1.00 0.58 H new ATOM 1440 N GLU A 111 -9.049 11.852 -9.459 1.00 0.48 N ATOM 1441 CA GLU A 111 -7.731 12.558 -9.487 1.00 0.49 C ATOM 1442 C GLU A 111 -6.902 12.198 -8.251 1.00 0.39 C ATOM 1443 O GLU A 111 -5.750 11.824 -8.354 1.00 0.51 O ATOM 1444 CB GLU A 111 -7.968 14.070 -9.506 1.00 0.52 C ATOM 1445 CG GLU A 111 -8.366 14.508 -10.916 1.00 1.53 C ATOM 1446 CD GLU A 111 -9.888 14.447 -11.059 1.00 2.98 C ATOM 1447 OE1 GLU A 111 -10.563 15.074 -10.259 1.00 2.97 O ATOM 1448 OE2 GLU A 111 -10.351 13.776 -11.965 1.00 4.30 O ATOM 0 H GLU A 111 -9.860 12.445 -9.636 1.00 0.48 H new ATOM 0 HA GLU A 111 -7.188 12.250 -10.380 1.00 0.49 H new ATOM 0 HB2 GLU A 111 -8.752 14.334 -8.797 1.00 0.52 H new ATOM 0 HB3 GLU A 111 -7.065 14.594 -9.193 1.00 0.52 H new ATOM 0 HG2 GLU A 111 -8.013 15.521 -11.107 1.00 1.53 H new ATOM 0 HG3 GLU A 111 -7.894 13.861 -11.656 1.00 1.53 H new ATOM 1455 N GLN A 112 -7.472 12.314 -7.084 1.00 0.22 N ATOM 1456 CA GLN A 112 -6.710 11.987 -5.846 1.00 0.19 C ATOM 1457 C GLN A 112 -6.198 10.550 -5.930 1.00 0.18 C ATOM 1458 O GLN A 112 -5.107 10.241 -5.493 1.00 0.20 O ATOM 1459 CB GLN A 112 -7.626 12.145 -4.631 1.00 0.17 C ATOM 1460 CG GLN A 112 -8.079 13.606 -4.529 1.00 0.21 C ATOM 1461 CD GLN A 112 -7.605 14.201 -3.201 1.00 0.24 C ATOM 1462 OE1 GLN A 112 -6.480 13.986 -2.793 1.00 0.91 O ATOM 1463 NE2 GLN A 112 -8.419 14.948 -2.508 1.00 1.22 N ATOM 0 H GLN A 112 -8.433 12.621 -6.934 1.00 0.22 H new ATOM 0 HA GLN A 112 -5.861 12.664 -5.746 1.00 0.19 H new ATOM 0 HB2 GLN A 112 -8.491 11.489 -4.725 1.00 0.17 H new ATOM 0 HB3 GLN A 112 -7.100 11.850 -3.723 1.00 0.17 H new ATOM 0 HG2 GLN A 112 -7.674 14.181 -5.362 1.00 0.21 H new ATOM 0 HG3 GLN A 112 -9.165 13.666 -4.598 1.00 0.21 H new ATOM 0 HE21 GLN A 112 -9.363 15.128 -2.851 1.00 1.22 H new ATOM 0 HE22 GLN A 112 -8.112 15.352 -1.623 1.00 1.22 H new ATOM 1472 N ALA A 113 -6.973 9.670 -6.499 1.00 0.15 N ATOM 1473 CA ALA A 113 -6.529 8.254 -6.624 1.00 0.13 C ATOM 1474 C ALA A 113 -5.275 8.201 -7.497 1.00 0.19 C ATOM 1475 O ALA A 113 -4.376 7.417 -7.265 1.00 0.19 O ATOM 1476 CB ALA A 113 -7.641 7.430 -7.273 1.00 0.10 C ATOM 0 H ALA A 113 -7.896 9.870 -6.884 1.00 0.15 H new ATOM 0 HA ALA A 113 -6.307 7.846 -5.638 1.00 0.13 H new ATOM 0 HB1 ALA A 113 -7.319 6.393 -7.366 1.00 0.10 H new ATOM 0 HB2 ALA A 113 -8.537 7.477 -6.655 1.00 0.10 H new ATOM 0 HB3 ALA A 113 -7.861 7.831 -8.262 1.00 0.10 H new ATOM 1482 N ARG A 114 -5.210 9.036 -8.499 1.00 0.25 N ATOM 1483 CA ARG A 114 -4.015 9.044 -9.389 1.00 0.30 C ATOM 1484 C ARG A 114 -2.848 9.718 -8.664 1.00 0.37 C ATOM 1485 O ARG A 114 -1.697 9.506 -8.992 1.00 0.47 O ATOM 1486 CB ARG A 114 -4.338 9.822 -10.667 1.00 0.35 C ATOM 1487 CG ARG A 114 -3.776 9.076 -11.878 1.00 0.50 C ATOM 1488 CD ARG A 114 -4.751 9.209 -13.050 1.00 0.93 C ATOM 1489 NE ARG A 114 -4.046 8.893 -14.325 1.00 1.00 N ATOM 1490 CZ ARG A 114 -4.625 9.141 -15.468 1.00 1.35 C ATOM 1491 NH1 ARG A 114 -5.865 8.782 -15.662 1.00 2.19 N ATOM 1492 NH2 ARG A 114 -3.965 9.748 -16.417 1.00 1.38 N ATOM 0 H ARG A 114 -5.934 9.713 -8.739 1.00 0.25 H new ATOM 0 HA ARG A 114 -3.743 8.020 -9.645 1.00 0.30 H new ATOM 0 HB2 ARG A 114 -5.417 9.941 -10.769 1.00 0.35 H new ATOM 0 HB3 ARG A 114 -3.910 10.823 -10.613 1.00 0.35 H new ATOM 0 HG2 ARG A 114 -2.803 9.484 -12.151 1.00 0.50 H new ATOM 0 HG3 ARG A 114 -3.624 8.025 -11.634 1.00 0.50 H new ATOM 0 HD2 ARG A 114 -5.595 8.533 -12.912 1.00 0.93 H new ATOM 0 HD3 ARG A 114 -5.155 10.221 -13.087 1.00 0.93 H new ATOM 0 HE ARG A 114 -3.112 8.483 -14.304 1.00 1.00 H new ATOM 0 HH11 ARG A 114 -6.381 8.308 -14.921 1.00 2.19 H new ATOM 0 HH12 ARG A 114 -6.318 8.976 -16.555 1.00 2.19 H new ATOM 0 HH21 ARG A 114 -2.996 10.029 -16.265 1.00 1.38 H new ATOM 0 HH22 ARG A 114 -4.418 9.941 -17.310 1.00 1.38 H new ATOM 1506 N ALA A 115 -3.133 10.531 -7.683 1.00 0.32 N ATOM 1507 CA ALA A 115 -2.037 11.217 -6.943 1.00 0.38 C ATOM 1508 C ALA A 115 -1.335 10.214 -6.025 1.00 0.39 C ATOM 1509 O ALA A 115 -0.137 10.272 -5.830 1.00 0.48 O ATOM 1510 CB ALA A 115 -2.623 12.353 -6.103 1.00 0.35 C ATOM 0 H ALA A 115 -4.077 10.749 -7.363 1.00 0.32 H new ATOM 0 HA ALA A 115 -1.318 11.624 -7.654 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.822 12.856 -5.561 1.00 0.35 H new ATOM 0 HB2 ALA A 115 -3.123 13.068 -6.756 1.00 0.35 H new ATOM 0 HB3 ALA A 115 -3.342 11.946 -5.392 1.00 0.35 H new ATOM 1516 N VAL A 116 -2.070 9.297 -5.457 1.00 0.30 N ATOM 1517 CA VAL A 116 -1.437 8.297 -4.552 1.00 0.33 C ATOM 1518 C VAL A 116 -0.814 7.170 -5.389 1.00 0.35 C ATOM 1519 O VAL A 116 0.138 6.533 -4.982 1.00 0.30 O ATOM 1520 CB VAL A 116 -2.498 7.726 -3.591 1.00 0.30 C ATOM 1521 CG1 VAL A 116 -3.434 6.761 -4.330 1.00 0.53 C ATOM 1522 CG2 VAL A 116 -1.798 6.976 -2.454 1.00 0.51 C ATOM 0 H VAL A 116 -3.078 9.197 -5.580 1.00 0.30 H new ATOM 0 HA VAL A 116 -0.653 8.777 -3.966 1.00 0.33 H new ATOM 0 HB VAL A 116 -3.088 8.551 -3.191 1.00 0.30 H new ATOM 0 HG11 VAL A 116 -4.176 6.369 -3.634 1.00 0.53 H new ATOM 0 HG12 VAL A 116 -3.939 7.291 -5.138 1.00 0.53 H new ATOM 0 HG13 VAL A 116 -2.853 5.937 -4.744 1.00 0.53 H new ATOM 0 HG21 VAL A 116 -2.545 6.570 -1.772 1.00 0.51 H new ATOM 0 HG22 VAL A 116 -1.204 6.161 -2.867 1.00 0.51 H new ATOM 0 HG23 VAL A 116 -1.147 7.662 -1.913 1.00 0.51 H new ATOM 1532 N GLN A 117 -1.356 6.918 -6.551 1.00 0.46 N ATOM 1533 CA GLN A 117 -0.813 5.829 -7.416 1.00 0.50 C ATOM 1534 C GLN A 117 0.526 6.258 -8.021 1.00 0.43 C ATOM 1535 O GLN A 117 1.540 5.616 -7.828 1.00 0.33 O ATOM 1536 CB GLN A 117 -1.807 5.541 -8.545 1.00 0.62 C ATOM 1537 CG GLN A 117 -1.794 4.045 -8.870 1.00 0.51 C ATOM 1538 CD GLN A 117 -1.351 3.839 -10.320 1.00 0.34 C ATOM 1539 OE1 GLN A 117 -1.610 4.668 -11.170 1.00 0.79 O ATOM 1540 NE2 GLN A 117 -0.690 2.761 -10.641 1.00 1.13 N ATOM 0 H GLN A 117 -2.154 7.421 -6.940 1.00 0.46 H new ATOM 0 HA GLN A 117 -0.663 4.933 -6.813 1.00 0.50 H new ATOM 0 HB2 GLN A 117 -2.809 5.851 -8.249 1.00 0.62 H new ATOM 0 HB3 GLN A 117 -1.544 6.118 -9.431 1.00 0.62 H new ATOM 0 HG2 GLN A 117 -1.117 3.522 -8.194 1.00 0.51 H new ATOM 0 HG3 GLN A 117 -2.787 3.621 -8.719 1.00 0.51 H new ATOM 0 HE21 GLN A 117 -0.472 2.065 -9.928 1.00 1.13 H new ATOM 0 HE22 GLN A 117 -0.391 2.614 -11.605 1.00 1.13 H new ATOM 1549 N MET A 118 0.539 7.334 -8.760 1.00 0.50 N ATOM 1550 CA MET A 118 1.810 7.804 -9.387 1.00 0.46 C ATOM 1551 C MET A 118 2.927 7.850 -8.338 1.00 0.40 C ATOM 1552 O MET A 118 4.042 7.431 -8.585 1.00 0.36 O ATOM 1553 CB MET A 118 1.599 9.203 -9.969 1.00 0.49 C ATOM 1554 CG MET A 118 0.548 9.139 -11.079 1.00 0.48 C ATOM 1555 SD MET A 118 1.167 8.114 -12.438 1.00 1.26 S ATOM 1556 CE MET A 118 -0.102 6.825 -12.359 1.00 3.34 C ATOM 0 H MET A 118 -0.279 7.911 -8.958 1.00 0.50 H new ATOM 0 HA MET A 118 2.096 7.114 -10.181 1.00 0.46 H new ATOM 0 HB2 MET A 118 1.276 9.889 -9.186 1.00 0.49 H new ATOM 0 HB3 MET A 118 2.538 9.590 -10.364 1.00 0.49 H new ATOM 0 HG2 MET A 118 -0.382 8.724 -10.691 1.00 0.48 H new ATOM 0 HG3 MET A 118 0.323 10.143 -11.440 1.00 0.48 H new ATOM 0 HE1 MET A 118 0.369 5.862 -12.160 1.00 3.34 H new ATOM 0 HE2 MET A 118 -0.806 7.056 -11.560 1.00 3.34 H new ATOM 0 HE3 MET A 118 -0.634 6.779 -13.309 1.00 3.34 H new ATOM 1566 N SER A 119 2.636 8.352 -7.170 1.00 0.40 N ATOM 1567 CA SER A 119 3.679 8.423 -6.108 1.00 0.35 C ATOM 1568 C SER A 119 4.133 7.009 -5.738 1.00 0.38 C ATOM 1569 O SER A 119 5.309 6.747 -5.578 1.00 0.30 O ATOM 1570 CB SER A 119 3.100 9.111 -4.873 1.00 0.34 C ATOM 1571 OG SER A 119 3.812 10.318 -4.629 1.00 0.61 O ATOM 0 H SER A 119 1.721 8.716 -6.905 1.00 0.40 H new ATOM 0 HA SER A 119 4.533 8.992 -6.476 1.00 0.35 H new ATOM 0 HB2 SER A 119 2.042 9.324 -5.024 1.00 0.34 H new ATOM 0 HB3 SER A 119 3.172 8.452 -4.008 1.00 0.34 H new ATOM 0 HG SER A 119 3.346 10.840 -3.942 1.00 0.61 H new ATOM 1577 N THR A 120 3.212 6.095 -5.596 1.00 0.50 N ATOM 1578 CA THR A 120 3.595 4.703 -5.232 1.00 0.53 C ATOM 1579 C THR A 120 4.425 4.081 -6.359 1.00 0.54 C ATOM 1580 O THR A 120 5.133 3.114 -6.157 1.00 0.56 O ATOM 1581 CB THR A 120 2.334 3.870 -4.994 1.00 0.60 C ATOM 1582 OG1 THR A 120 1.563 3.827 -6.187 1.00 1.49 O ATOM 1583 CG2 THR A 120 1.509 4.504 -3.873 1.00 0.79 C ATOM 0 H THR A 120 2.212 6.253 -5.716 1.00 0.50 H new ATOM 0 HA THR A 120 4.192 4.720 -4.320 1.00 0.53 H new ATOM 0 HB THR A 120 2.615 2.856 -4.708 1.00 0.60 H new ATOM 0 HG1 THR A 120 1.823 4.570 -6.771 1.00 1.49 H new ATOM 0 HG21 THR A 120 0.610 3.911 -3.703 1.00 0.79 H new ATOM 0 HG22 THR A 120 2.101 4.536 -2.959 1.00 0.79 H new ATOM 0 HG23 THR A 120 1.227 5.518 -4.158 1.00 0.79 H new ATOM 1591 N LYS A 121 4.365 4.639 -7.538 1.00 0.53 N ATOM 1592 CA LYS A 121 5.176 4.089 -8.658 1.00 0.54 C ATOM 1593 C LYS A 121 6.565 4.715 -8.582 1.00 0.47 C ATOM 1594 O LYS A 121 7.540 4.147 -9.024 1.00 0.55 O ATOM 1595 CB LYS A 121 4.522 4.444 -9.997 1.00 0.59 C ATOM 1596 CG LYS A 121 3.316 3.536 -10.236 1.00 0.69 C ATOM 1597 CD LYS A 121 2.912 3.599 -11.711 1.00 1.68 C ATOM 1598 CE LYS A 121 3.478 2.385 -12.450 1.00 0.80 C ATOM 1599 NZ LYS A 121 2.761 2.215 -13.746 1.00 1.59 N ATOM 0 H LYS A 121 3.791 5.449 -7.772 1.00 0.53 H new ATOM 0 HA LYS A 121 5.242 3.004 -8.581 1.00 0.54 H new ATOM 0 HB2 LYS A 121 4.209 5.488 -9.995 1.00 0.59 H new ATOM 0 HB3 LYS A 121 5.242 4.329 -10.807 1.00 0.59 H new ATOM 0 HG2 LYS A 121 3.559 2.510 -9.958 1.00 0.69 H new ATOM 0 HG3 LYS A 121 2.483 3.848 -9.606 1.00 0.69 H new ATOM 0 HD2 LYS A 121 1.826 3.618 -11.801 1.00 1.68 H new ATOM 0 HD3 LYS A 121 3.285 4.519 -12.162 1.00 1.68 H new ATOM 0 HE2 LYS A 121 4.545 2.518 -12.627 1.00 0.80 H new ATOM 0 HE3 LYS A 121 3.366 1.489 -11.839 1.00 0.80 H new ATOM 0 HZ1 LYS A 121 3.145 1.390 -14.249 1.00 1.59 H new ATOM 0 HZ2 LYS A 121 1.747 2.070 -13.565 1.00 1.59 H new ATOM 0 HZ3 LYS A 121 2.890 3.067 -14.329 1.00 1.59 H new ATOM 1613 N VAL A 122 6.656 5.883 -8.007 1.00 0.33 N ATOM 1614 CA VAL A 122 7.973 6.554 -7.876 1.00 0.26 C ATOM 1615 C VAL A 122 8.767 5.863 -6.765 1.00 0.20 C ATOM 1616 O VAL A 122 9.981 5.833 -6.782 1.00 0.15 O ATOM 1617 CB VAL A 122 7.745 8.023 -7.522 1.00 0.27 C ATOM 1618 CG1 VAL A 122 9.085 8.708 -7.260 1.00 0.18 C ATOM 1619 CG2 VAL A 122 7.044 8.714 -8.690 1.00 0.38 C ATOM 0 H VAL A 122 5.867 6.402 -7.621 1.00 0.33 H new ATOM 0 HA VAL A 122 8.530 6.492 -8.811 1.00 0.26 H new ATOM 0 HB VAL A 122 7.128 8.089 -6.626 1.00 0.27 H new ATOM 0 HG11 VAL A 122 8.915 9.755 -7.008 1.00 0.18 H new ATOM 0 HG12 VAL A 122 9.591 8.213 -6.431 1.00 0.18 H new ATOM 0 HG13 VAL A 122 9.706 8.646 -8.153 1.00 0.18 H new ATOM 0 HG21 VAL A 122 6.878 9.763 -8.445 1.00 0.38 H new ATOM 0 HG22 VAL A 122 7.667 8.644 -9.581 1.00 0.38 H new ATOM 0 HG23 VAL A 122 6.086 8.229 -8.878 1.00 0.38 H new ATOM 1629 N LEU A 123 8.086 5.295 -5.808 1.00 0.24 N ATOM 1630 CA LEU A 123 8.792 4.588 -4.701 1.00 0.23 C ATOM 1631 C LEU A 123 9.275 3.229 -5.210 1.00 0.23 C ATOM 1632 O LEU A 123 10.229 2.665 -4.713 1.00 0.19 O ATOM 1633 CB LEU A 123 7.823 4.368 -3.536 1.00 0.37 C ATOM 1634 CG LEU A 123 7.930 5.523 -2.543 1.00 0.17 C ATOM 1635 CD1 LEU A 123 9.358 5.606 -2.005 1.00 0.56 C ATOM 1636 CD2 LEU A 123 7.571 6.835 -3.241 1.00 0.42 C ATOM 0 H LEU A 123 7.068 5.290 -5.744 1.00 0.24 H new ATOM 0 HA LEU A 123 9.639 5.186 -4.364 1.00 0.23 H new ATOM 0 HB2 LEU A 123 6.802 4.293 -3.910 1.00 0.37 H new ATOM 0 HB3 LEU A 123 8.050 3.426 -3.037 1.00 0.37 H new ATOM 0 HG LEU A 123 7.241 5.352 -1.716 1.00 0.17 H new ATOM 0 HD11 LEU A 123 9.432 6.431 -1.296 1.00 0.56 H new ATOM 0 HD12 LEU A 123 9.613 4.672 -1.503 1.00 0.56 H new ATOM 0 HD13 LEU A 123 10.049 5.774 -2.831 1.00 0.56 H new ATOM 0 HD21 LEU A 123 7.648 7.658 -2.531 1.00 0.42 H new ATOM 0 HD22 LEU A 123 8.258 7.006 -4.070 1.00 0.42 H new ATOM 0 HD23 LEU A 123 6.551 6.778 -3.621 1.00 0.42 H new ATOM 1648 N ILE A 124 8.609 2.702 -6.197 1.00 0.40 N ATOM 1649 CA ILE A 124 9.000 1.380 -6.758 1.00 0.44 C ATOM 1650 C ILE A 124 10.213 1.551 -7.671 1.00 0.45 C ATOM 1651 O ILE A 124 11.198 0.851 -7.550 1.00 0.46 O ATOM 1652 CB ILE A 124 7.816 0.819 -7.556 1.00 0.50 C ATOM 1653 CG1 ILE A 124 6.665 0.507 -6.596 1.00 0.38 C ATOM 1654 CG2 ILE A 124 8.228 -0.463 -8.282 1.00 0.53 C ATOM 1655 CD1 ILE A 124 5.348 0.462 -7.375 1.00 0.58 C ATOM 0 H ILE A 124 7.801 3.136 -6.644 1.00 0.40 H new ATOM 0 HA ILE A 124 9.261 0.692 -5.954 1.00 0.44 H new ATOM 0 HB ILE A 124 7.500 1.558 -8.292 1.00 0.50 H new ATOM 0 HG12 ILE A 124 6.839 -0.448 -6.100 1.00 0.38 H new ATOM 0 HG13 ILE A 124 6.612 1.266 -5.816 1.00 0.38 H new ATOM 0 HG21 ILE A 124 7.379 -0.851 -8.845 1.00 0.53 H new ATOM 0 HG22 ILE A 124 9.048 -0.246 -8.966 1.00 0.53 H new ATOM 0 HG23 ILE A 124 8.551 -1.206 -7.553 1.00 0.53 H new ATOM 0 HD11 ILE A 124 4.528 0.240 -6.692 1.00 0.58 H new ATOM 0 HD12 ILE A 124 5.173 1.427 -7.850 1.00 0.58 H new ATOM 0 HD13 ILE A 124 5.404 -0.313 -8.139 1.00 0.58 H new ATOM 1667 N GLN A 125 10.149 2.474 -8.582 1.00 0.49 N ATOM 1668 CA GLN A 125 11.284 2.693 -9.505 1.00 0.50 C ATOM 1669 C GLN A 125 12.481 3.244 -8.733 1.00 0.44 C ATOM 1670 O GLN A 125 13.618 2.958 -9.044 1.00 0.57 O ATOM 1671 CB GLN A 125 10.850 3.700 -10.560 1.00 0.48 C ATOM 1672 CG GLN A 125 10.306 2.951 -11.774 1.00 0.57 C ATOM 1673 CD GLN A 125 10.506 3.799 -13.032 1.00 0.67 C ATOM 1674 OE1 GLN A 125 9.586 4.439 -13.499 1.00 1.33 O ATOM 1675 NE2 GLN A 125 11.679 3.830 -13.603 1.00 1.11 N ATOM 0 H GLN A 125 9.350 3.091 -8.726 1.00 0.49 H new ATOM 0 HA GLN A 125 11.573 1.752 -9.974 1.00 0.50 H new ATOM 0 HB2 GLN A 125 10.086 4.363 -10.154 1.00 0.48 H new ATOM 0 HB3 GLN A 125 11.693 4.326 -10.852 1.00 0.48 H new ATOM 0 HG2 GLN A 125 10.817 1.994 -11.883 1.00 0.57 H new ATOM 0 HG3 GLN A 125 9.247 2.733 -11.635 1.00 0.57 H new ATOM 0 HE21 GLN A 125 12.452 3.292 -13.210 1.00 1.11 H new ATOM 0 HE22 GLN A 125 11.823 4.392 -14.442 1.00 1.11 H new ATOM 1684 N PHE A 126 12.232 4.042 -7.735 1.00 0.28 N ATOM 1685 CA PHE A 126 13.353 4.625 -6.944 1.00 0.25 C ATOM 1686 C PHE A 126 14.026 3.541 -6.096 1.00 0.28 C ATOM 1687 O PHE A 126 15.234 3.417 -6.076 1.00 0.54 O ATOM 1688 CB PHE A 126 12.809 5.712 -6.014 1.00 0.22 C ATOM 1689 CG PHE A 126 12.736 7.029 -6.749 1.00 0.17 C ATOM 1690 CD1 PHE A 126 12.224 7.080 -8.051 1.00 0.19 C ATOM 1691 CD2 PHE A 126 13.179 8.202 -6.124 1.00 0.11 C ATOM 1692 CE1 PHE A 126 12.156 8.302 -8.728 1.00 0.15 C ATOM 1693 CE2 PHE A 126 13.108 9.425 -6.802 1.00 0.07 C ATOM 1694 CZ PHE A 126 12.597 9.475 -8.103 1.00 0.09 C ATOM 0 H PHE A 126 11.298 4.318 -7.431 1.00 0.28 H new ATOM 0 HA PHE A 126 14.083 5.049 -7.633 1.00 0.25 H new ATOM 0 HB2 PHE A 126 11.819 5.432 -5.653 1.00 0.22 H new ATOM 0 HB3 PHE A 126 13.452 5.809 -5.139 1.00 0.22 H new ATOM 0 HD1 PHE A 126 11.882 6.176 -8.533 1.00 0.19 H new ATOM 0 HD2 PHE A 126 13.575 8.163 -5.120 1.00 0.11 H new ATOM 0 HE1 PHE A 126 11.763 8.341 -9.733 1.00 0.15 H new ATOM 0 HE2 PHE A 126 13.448 10.330 -6.320 1.00 0.07 H new ATOM 0 HZ PHE A 126 12.543 10.419 -8.626 1.00 0.09 H new ATOM 1704 N LEU A 127 13.261 2.772 -5.376 1.00 0.07 N ATOM 1705 CA LEU A 127 13.867 1.721 -4.507 1.00 0.06 C ATOM 1706 C LEU A 127 14.466 0.591 -5.352 1.00 0.15 C ATOM 1707 O LEU A 127 15.266 -0.184 -4.870 1.00 0.57 O ATOM 1708 CB LEU A 127 12.792 1.143 -3.584 1.00 0.15 C ATOM 1709 CG LEU A 127 12.707 1.981 -2.307 1.00 0.54 C ATOM 1710 CD1 LEU A 127 11.590 1.439 -1.415 1.00 1.02 C ATOM 1711 CD2 LEU A 127 14.040 1.904 -1.557 1.00 0.56 C ATOM 0 H LEU A 127 12.243 2.824 -5.350 1.00 0.07 H new ATOM 0 HA LEU A 127 14.663 2.177 -3.919 1.00 0.06 H new ATOM 0 HB2 LEU A 127 11.828 1.137 -4.092 1.00 0.15 H new ATOM 0 HB3 LEU A 127 13.029 0.108 -3.337 1.00 0.15 H new ATOM 0 HG LEU A 127 12.494 3.018 -2.567 1.00 0.54 H new ATOM 0 HD11 LEU A 127 11.529 2.036 -0.505 1.00 1.02 H new ATOM 0 HD12 LEU A 127 10.641 1.492 -1.948 1.00 1.02 H new ATOM 0 HD13 LEU A 127 11.803 0.402 -1.155 1.00 1.02 H new ATOM 0 HD21 LEU A 127 13.980 2.501 -0.647 1.00 0.56 H new ATOM 0 HD22 LEU A 127 14.252 0.867 -1.298 1.00 0.56 H new ATOM 0 HD23 LEU A 127 14.838 2.289 -2.192 1.00 0.56 H new ATOM 1723 N GLN A 128 14.087 0.476 -6.595 1.00 0.34 N ATOM 1724 CA GLN A 128 14.649 -0.624 -7.437 1.00 0.27 C ATOM 1725 C GLN A 128 15.912 -0.147 -8.163 1.00 0.45 C ATOM 1726 O GLN A 128 16.818 -0.915 -8.417 1.00 0.62 O ATOM 1727 CB GLN A 128 13.610 -1.062 -8.472 1.00 0.16 C ATOM 1728 CG GLN A 128 13.306 -2.551 -8.290 1.00 0.66 C ATOM 1729 CD GLN A 128 11.936 -2.870 -8.889 1.00 0.85 C ATOM 1730 OE1 GLN A 128 11.308 -2.019 -9.487 1.00 1.25 O ATOM 1731 NE2 GLN A 128 11.444 -4.071 -8.755 1.00 1.72 N ATOM 0 H GLN A 128 13.419 1.088 -7.063 1.00 0.34 H new ATOM 0 HA GLN A 128 14.904 -1.463 -6.790 1.00 0.27 H new ATOM 0 HB2 GLN A 128 12.698 -0.477 -8.357 1.00 0.16 H new ATOM 0 HB3 GLN A 128 13.983 -0.876 -9.479 1.00 0.16 H new ATOM 0 HG2 GLN A 128 14.075 -3.152 -8.775 1.00 0.66 H new ATOM 0 HG3 GLN A 128 13.320 -2.809 -7.231 1.00 0.66 H new ATOM 0 HE21 GLN A 128 11.972 -4.785 -8.253 1.00 1.72 H new ATOM 0 HE22 GLN A 128 10.532 -4.296 -9.152 1.00 1.72 H new ATOM 1740 N LYS A 129 15.969 1.106 -8.520 1.00 0.47 N ATOM 1741 CA LYS A 129 17.161 1.622 -9.254 1.00 0.69 C ATOM 1742 C LYS A 129 18.213 2.158 -8.275 1.00 0.87 C ATOM 1743 O LYS A 129 19.340 1.707 -8.258 1.00 0.82 O ATOM 1744 CB LYS A 129 16.724 2.748 -10.193 1.00 0.82 C ATOM 1745 CG LYS A 129 16.354 2.160 -11.556 1.00 1.28 C ATOM 1746 CD LYS A 129 14.840 1.960 -11.634 1.00 1.97 C ATOM 1747 CE LYS A 129 14.480 1.279 -12.955 1.00 3.20 C ATOM 1748 NZ LYS A 129 13.225 0.494 -12.784 1.00 4.61 N ATOM 0 H LYS A 129 15.241 1.797 -8.335 1.00 0.47 H new ATOM 0 HA LYS A 129 17.602 0.805 -9.825 1.00 0.69 H new ATOM 0 HB2 LYS A 129 15.871 3.278 -9.770 1.00 0.82 H new ATOM 0 HB3 LYS A 129 17.528 3.475 -10.305 1.00 0.82 H new ATOM 0 HG2 LYS A 129 16.685 2.826 -12.353 1.00 1.28 H new ATOM 0 HG3 LYS A 129 16.865 1.209 -11.704 1.00 1.28 H new ATOM 0 HD2 LYS A 129 14.500 1.353 -10.795 1.00 1.97 H new ATOM 0 HD3 LYS A 129 14.332 2.921 -11.558 1.00 1.97 H new ATOM 0 HE2 LYS A 129 14.350 2.026 -13.738 1.00 3.20 H new ATOM 0 HE3 LYS A 129 15.291 0.623 -13.271 1.00 3.20 H new ATOM 0 HZ1 LYS A 129 13.444 -0.522 -12.820 1.00 4.61 H new ATOM 0 HZ2 LYS A 129 12.794 0.724 -11.866 1.00 4.61 H new ATOM 0 HZ3 LYS A 129 12.560 0.732 -13.547 1.00 4.61 H new ATOM 1762 N LYS A 130 17.862 3.129 -7.475 1.00 1.17 N ATOM 1763 CA LYS A 130 18.854 3.704 -6.518 1.00 1.44 C ATOM 1764 C LYS A 130 18.809 2.961 -5.180 1.00 1.42 C ATOM 1765 O LYS A 130 19.110 3.517 -4.142 1.00 1.70 O ATOM 1766 CB LYS A 130 18.539 5.179 -6.284 1.00 1.96 C ATOM 1767 CG LYS A 130 17.074 5.328 -5.876 1.00 2.35 C ATOM 1768 CD LYS A 130 16.842 6.731 -5.330 1.00 3.64 C ATOM 1769 CE LYS A 130 16.118 6.642 -3.987 1.00 3.93 C ATOM 1770 NZ LYS A 130 15.903 8.013 -3.446 1.00 5.49 N ATOM 0 H LYS A 130 16.933 3.549 -7.442 1.00 1.17 H new ATOM 0 HA LYS A 130 19.851 3.598 -6.946 1.00 1.44 H new ATOM 0 HB2 LYS A 130 19.187 5.581 -5.506 1.00 1.96 H new ATOM 0 HB3 LYS A 130 18.735 5.752 -7.190 1.00 1.96 H new ATOM 0 HG2 LYS A 130 16.426 5.148 -6.734 1.00 2.35 H new ATOM 0 HG3 LYS A 130 16.818 4.585 -5.121 1.00 2.35 H new ATOM 0 HD2 LYS A 130 17.794 7.247 -5.208 1.00 3.64 H new ATOM 0 HD3 LYS A 130 16.251 7.314 -6.036 1.00 3.64 H new ATOM 0 HE2 LYS A 130 15.161 6.134 -4.111 1.00 3.93 H new ATOM 0 HE3 LYS A 130 16.705 6.050 -3.284 1.00 3.93 H new ATOM 0 HZ1 LYS A 130 16.245 8.057 -2.465 1.00 5.49 H new ATOM 0 HZ2 LYS A 130 16.425 8.701 -4.026 1.00 5.49 H new ATOM 0 HZ3 LYS A 130 14.888 8.240 -3.469 1.00 5.49 H new ATOM 1784 N ALA A 131 18.445 1.713 -5.193 1.00 1.20 N ATOM 1785 CA ALA A 131 18.391 0.937 -3.921 1.00 1.40 C ATOM 1786 C ALA A 131 19.773 0.911 -3.259 1.00 1.88 C ATOM 1787 O ALA A 131 19.890 0.634 -2.087 1.00 3.01 O ATOM 1788 CB ALA A 131 17.941 -0.494 -4.220 1.00 1.16 C ATOM 0 H ALA A 131 18.181 1.193 -6.030 1.00 1.20 H new ATOM 0 HA ALA A 131 17.683 1.412 -3.242 1.00 1.40 H new ATOM 0 HB1 ALA A 131 17.901 -1.064 -3.292 1.00 1.16 H new ATOM 0 HB2 ALA A 131 16.952 -0.476 -4.678 1.00 1.16 H new ATOM 0 HB3 ALA A 131 18.649 -0.963 -4.903 1.00 1.16 H new ATOM 1794 N LYS A 132 20.805 1.208 -4.010 1.00 1.36 N ATOM 1795 CA LYS A 132 22.205 1.226 -3.478 1.00 1.80 C ATOM 1796 C LYS A 132 22.485 0.045 -2.546 1.00 1.65 C ATOM 1797 O LYS A 132 22.007 -0.037 -1.432 1.00 1.52 O ATOM 1798 CB LYS A 132 22.472 2.536 -2.750 1.00 2.15 C ATOM 1799 CG LYS A 132 21.374 2.816 -1.720 1.00 2.13 C ATOM 1800 CD LYS A 132 21.751 4.045 -0.894 1.00 3.00 C ATOM 1801 CE LYS A 132 21.938 3.640 0.569 1.00 2.50 C ATOM 1802 NZ LYS A 132 20.632 3.186 1.130 1.00 3.17 N ATOM 0 H LYS A 132 20.733 1.446 -4.999 1.00 1.36 H new ATOM 0 HA LYS A 132 22.877 1.136 -4.332 1.00 1.80 H new ATOM 0 HB2 LYS A 132 23.441 2.491 -2.253 1.00 2.15 H new ATOM 0 HB3 LYS A 132 22.521 3.354 -3.469 1.00 2.15 H new ATOM 0 HG2 LYS A 132 20.422 2.982 -2.224 1.00 2.13 H new ATOM 0 HG3 LYS A 132 21.244 1.952 -1.068 1.00 2.13 H new ATOM 0 HD2 LYS A 132 22.669 4.488 -1.280 1.00 3.00 H new ATOM 0 HD3 LYS A 132 20.973 4.804 -0.976 1.00 3.00 H new ATOM 0 HE2 LYS A 132 22.676 2.841 0.645 1.00 2.50 H new ATOM 0 HE3 LYS A 132 22.320 4.483 1.145 1.00 2.50 H new ATOM 0 HZ1 LYS A 132 20.615 3.362 2.155 1.00 3.17 H new ATOM 0 HZ2 LYS A 132 19.858 3.711 0.676 1.00 3.17 H new ATOM 0 HZ3 LYS A 132 20.512 2.169 0.951 1.00 3.17 H new ATOM 1816 N ASN A 133 23.291 -0.863 -2.999 1.00 1.69 N ATOM 1817 CA ASN A 133 23.639 -2.046 -2.164 1.00 1.57 C ATOM 1818 C ASN A 133 22.353 -2.770 -1.781 1.00 1.47 C ATOM 1819 O ASN A 133 22.154 -3.162 -0.649 1.00 1.40 O ATOM 1820 CB ASN A 133 24.375 -1.588 -0.900 1.00 1.45 C ATOM 1821 CG ASN A 133 25.709 -2.331 -0.776 1.00 1.40 C ATOM 1822 OD1 ASN A 133 26.075 -3.103 -1.640 1.00 1.47 O ATOM 1823 ND2 ASN A 133 26.458 -2.130 0.273 1.00 1.82 N ATOM 0 H ASN A 133 23.730 -0.841 -3.919 1.00 1.69 H new ATOM 0 HA ASN A 133 24.288 -2.719 -2.724 1.00 1.57 H new ATOM 0 HB2 ASN A 133 24.550 -0.513 -0.940 1.00 1.45 H new ATOM 0 HB3 ASN A 133 23.759 -1.779 -0.021 1.00 1.45 H new ATOM 0 HD21 ASN A 133 27.348 -2.620 0.366 1.00 1.82 H new ATOM 0 HD22 ASN A 133 26.154 -1.483 1.000 1.00 1.82 H new ATOM 1830 N LEU A 134 21.480 -2.946 -2.728 1.00 1.45 N ATOM 1831 CA LEU A 134 20.197 -3.639 -2.448 1.00 1.35 C ATOM 1832 C LEU A 134 19.909 -4.643 -3.564 1.00 0.96 C ATOM 1833 O LEU A 134 20.772 -4.979 -4.349 1.00 0.88 O ATOM 1834 CB LEU A 134 19.067 -2.610 -2.373 1.00 1.47 C ATOM 1835 CG LEU A 134 18.456 -2.613 -0.971 1.00 1.82 C ATOM 1836 CD1 LEU A 134 17.842 -3.984 -0.680 1.00 1.34 C ATOM 1837 CD2 LEU A 134 19.549 -2.313 0.060 1.00 2.96 C ATOM 0 H LEU A 134 21.601 -2.637 -3.692 1.00 1.45 H new ATOM 0 HA LEU A 134 20.266 -4.167 -1.497 1.00 1.35 H new ATOM 0 HB2 LEU A 134 19.450 -1.618 -2.611 1.00 1.47 H new ATOM 0 HB3 LEU A 134 18.302 -2.842 -3.114 1.00 1.47 H new ATOM 0 HG LEU A 134 17.679 -1.851 -0.912 1.00 1.82 H new ATOM 0 HD11 LEU A 134 17.407 -3.983 0.320 1.00 1.34 H new ATOM 0 HD12 LEU A 134 17.065 -4.198 -1.414 1.00 1.34 H new ATOM 0 HD13 LEU A 134 18.616 -4.749 -0.739 1.00 1.34 H new ATOM 0 HD21 LEU A 134 19.116 -2.315 1.060 1.00 2.96 H new ATOM 0 HD22 LEU A 134 20.325 -3.076 -0.000 1.00 2.96 H new ATOM 0 HD23 LEU A 134 19.984 -1.335 -0.145 1.00 2.96 H new ATOM 1849 N ASP A 135 18.704 -5.129 -3.632 1.00 0.78 N ATOM 1850 CA ASP A 135 18.358 -6.119 -4.693 1.00 0.59 C ATOM 1851 C ASP A 135 17.139 -5.634 -5.480 1.00 0.97 C ATOM 1852 O ASP A 135 16.851 -4.455 -5.533 1.00 2.35 O ATOM 1853 CB ASP A 135 18.048 -7.471 -4.043 1.00 0.87 C ATOM 1854 CG ASP A 135 19.151 -7.828 -3.044 1.00 2.10 C ATOM 1855 OD1 ASP A 135 20.110 -8.461 -3.453 1.00 2.58 O ATOM 1856 OD2 ASP A 135 19.016 -7.465 -1.887 1.00 3.06 O ATOM 0 H ASP A 135 17.941 -4.885 -3.000 1.00 0.78 H new ATOM 0 HA ASP A 135 19.201 -6.227 -5.375 1.00 0.59 H new ATOM 0 HB2 ASP A 135 17.084 -7.429 -3.536 1.00 0.87 H new ATOM 0 HB3 ASP A 135 17.972 -8.244 -4.808 1.00 0.87 H new ATOM 1861 N ALA A 136 16.410 -6.538 -6.078 1.00 0.53 N ATOM 1862 CA ALA A 136 15.205 -6.149 -6.839 1.00 0.79 C ATOM 1863 C ALA A 136 13.974 -6.629 -6.085 1.00 0.63 C ATOM 1864 O ALA A 136 12.863 -6.218 -6.359 1.00 1.21 O ATOM 1865 CB ALA A 136 15.239 -6.769 -8.237 1.00 1.29 C ATOM 0 H ALA A 136 16.607 -7.539 -6.067 1.00 0.53 H new ATOM 0 HA ALA A 136 15.173 -5.065 -6.946 1.00 0.79 H new ATOM 0 HB1 ALA A 136 14.345 -6.475 -8.787 1.00 1.29 H new ATOM 0 HB2 ALA A 136 16.124 -6.420 -8.769 1.00 1.29 H new ATOM 0 HB3 ALA A 136 15.272 -7.855 -8.153 1.00 1.29 H new ATOM 1871 N ILE A 137 14.171 -7.470 -5.113 1.00 0.45 N ATOM 1872 CA ILE A 137 13.039 -7.952 -4.309 1.00 0.66 C ATOM 1873 C ILE A 137 12.005 -8.640 -5.209 1.00 0.62 C ATOM 1874 O ILE A 137 10.858 -8.814 -4.849 1.00 1.05 O ATOM 1875 CB ILE A 137 12.449 -6.747 -3.579 1.00 0.83 C ATOM 1876 CG1 ILE A 137 13.466 -6.239 -2.552 1.00 0.93 C ATOM 1877 CG2 ILE A 137 11.168 -7.143 -2.859 1.00 1.11 C ATOM 1878 CD1 ILE A 137 14.585 -5.473 -3.264 1.00 0.76 C ATOM 0 H ILE A 137 15.081 -7.843 -4.845 1.00 0.45 H new ATOM 0 HA ILE A 137 13.362 -8.695 -3.580 1.00 0.66 H new ATOM 0 HB ILE A 137 12.222 -5.965 -4.304 1.00 0.83 H new ATOM 0 HG12 ILE A 137 12.972 -5.590 -1.828 1.00 0.93 H new ATOM 0 HG13 ILE A 137 13.884 -7.078 -1.995 1.00 0.93 H new ATOM 0 HG21 ILE A 137 10.758 -6.275 -2.343 1.00 1.11 H new ATOM 0 HG22 ILE A 137 10.442 -7.511 -3.584 1.00 1.11 H new ATOM 0 HG23 ILE A 137 11.386 -7.927 -2.134 1.00 1.11 H new ATOM 0 HD11 ILE A 137 15.305 -5.114 -2.529 1.00 0.76 H new ATOM 0 HD12 ILE A 137 15.087 -6.135 -3.970 1.00 0.76 H new ATOM 0 HD13 ILE A 137 14.161 -4.624 -3.800 1.00 0.76 H new ATOM 1890 N THR A 138 12.408 -9.063 -6.374 1.00 0.48 N ATOM 1891 CA THR A 138 11.454 -9.763 -7.276 1.00 0.43 C ATOM 1892 C THR A 138 10.177 -8.934 -7.430 1.00 0.48 C ATOM 1893 O THR A 138 10.116 -7.786 -7.037 1.00 0.65 O ATOM 1894 CB THR A 138 11.101 -11.122 -6.665 1.00 0.43 C ATOM 1895 OG1 THR A 138 12.177 -11.560 -5.845 1.00 0.65 O ATOM 1896 CG2 THR A 138 10.857 -12.140 -7.781 1.00 0.50 C ATOM 0 H THR A 138 13.354 -8.955 -6.739 1.00 0.48 H new ATOM 0 HA THR A 138 11.913 -9.898 -8.255 1.00 0.43 H new ATOM 0 HB THR A 138 10.197 -11.028 -6.063 1.00 0.43 H new ATOM 0 HG1 THR A 138 11.955 -12.429 -5.450 1.00 0.65 H new ATOM 0 HG21 THR A 138 10.606 -13.106 -7.344 1.00 0.50 H new ATOM 0 HG22 THR A 138 10.033 -11.801 -8.409 1.00 0.50 H new ATOM 0 HG23 THR A 138 11.758 -12.239 -8.387 1.00 0.50 H new ATOM 1904 N THR A 139 9.157 -9.512 -7.997 1.00 0.44 N ATOM 1905 CA THR A 139 7.880 -8.776 -8.179 1.00 0.61 C ATOM 1906 C THR A 139 6.808 -9.762 -8.672 1.00 0.62 C ATOM 1907 O THR A 139 7.127 -10.701 -9.376 1.00 0.61 O ATOM 1908 CB THR A 139 8.097 -7.648 -9.200 1.00 0.87 C ATOM 1909 OG1 THR A 139 7.017 -6.729 -9.125 1.00 0.98 O ATOM 1910 CG2 THR A 139 8.191 -8.214 -10.624 1.00 0.91 C ATOM 0 H THR A 139 9.155 -10.471 -8.345 1.00 0.44 H new ATOM 0 HA THR A 139 7.548 -8.337 -7.238 1.00 0.61 H new ATOM 0 HB THR A 139 9.033 -7.141 -8.966 1.00 0.87 H new ATOM 0 HG1 THR A 139 6.975 -6.205 -9.952 1.00 0.98 H new ATOM 0 HG21 THR A 139 8.345 -7.398 -11.330 1.00 0.91 H new ATOM 0 HG22 THR A 139 9.028 -8.909 -10.685 1.00 0.91 H new ATOM 0 HG23 THR A 139 7.267 -8.737 -10.869 1.00 0.91 H new ATOM 1958 N THR A 143 0.545 -11.317 -14.807 1.00 1.02 N ATOM 1959 CA THR A 143 -0.424 -12.382 -15.187 1.00 0.89 C ATOM 1960 C THR A 143 -0.979 -13.018 -13.914 1.00 0.83 C ATOM 1961 O THR A 143 -2.151 -13.324 -13.819 1.00 0.74 O ATOM 1962 CB THR A 143 0.285 -13.442 -16.032 1.00 0.95 C ATOM 1963 OG1 THR A 143 1.405 -13.943 -15.318 1.00 1.01 O ATOM 1964 CG2 THR A 143 0.753 -12.815 -17.347 1.00 1.47 C ATOM 0 HA THR A 143 -1.240 -11.954 -15.770 1.00 0.89 H new ATOM 0 HB THR A 143 -0.403 -14.260 -16.246 1.00 0.95 H new ATOM 0 HG1 THR A 143 1.808 -13.220 -14.793 1.00 1.01 H new ATOM 0 HG21 THR A 143 1.258 -13.569 -17.950 1.00 1.47 H new ATOM 0 HG22 THR A 143 -0.108 -12.431 -17.894 1.00 1.47 H new ATOM 0 HG23 THR A 143 1.443 -11.998 -17.135 1.00 1.47 H new ATOM 1972 N THR A 144 -0.149 -13.198 -12.923 1.00 0.92 N ATOM 1973 CA THR A 144 -0.636 -13.788 -11.648 1.00 0.92 C ATOM 1974 C THR A 144 -1.363 -12.694 -10.866 1.00 0.81 C ATOM 1975 O THR A 144 -2.332 -12.942 -10.171 1.00 0.78 O ATOM 1976 CB THR A 144 0.553 -14.305 -10.834 1.00 1.11 C ATOM 1977 OG1 THR A 144 1.531 -14.839 -11.716 1.00 1.36 O ATOM 1978 CG2 THR A 144 0.081 -15.397 -9.872 1.00 1.32 C ATOM 0 H THR A 144 0.843 -12.962 -12.943 1.00 0.92 H new ATOM 0 HA THR A 144 -1.311 -14.620 -11.848 1.00 0.92 H new ATOM 0 HB THR A 144 0.986 -13.484 -10.262 1.00 1.11 H new ATOM 0 HG1 THR A 144 2.294 -15.169 -11.197 1.00 1.36 H new ATOM 0 HG21 THR A 144 0.929 -15.764 -9.294 1.00 1.32 H new ATOM 0 HG22 THR A 144 -0.669 -14.987 -9.196 1.00 1.32 H new ATOM 0 HG23 THR A 144 -0.353 -16.220 -10.440 1.00 1.32 H new ATOM 1986 N ASN A 145 -0.913 -11.476 -10.999 1.00 0.79 N ATOM 1987 CA ASN A 145 -1.582 -10.354 -10.293 1.00 0.68 C ATOM 1988 C ASN A 145 -2.954 -10.141 -10.923 1.00 0.51 C ATOM 1989 O ASN A 145 -3.847 -9.601 -10.312 1.00 0.43 O ATOM 1990 CB ASN A 145 -0.748 -9.079 -10.422 1.00 0.67 C ATOM 1991 CG ASN A 145 -0.413 -8.549 -9.025 1.00 0.66 C ATOM 1992 OD1 ASN A 145 0.676 -8.064 -8.791 1.00 0.70 O ATOM 1993 ND2 ASN A 145 -1.312 -8.622 -8.078 1.00 0.63 N ATOM 0 H ASN A 145 -0.109 -11.212 -11.568 1.00 0.79 H new ATOM 0 HA ASN A 145 -1.687 -10.591 -9.234 1.00 0.68 H new ATOM 0 HB2 ASN A 145 0.169 -9.285 -10.975 1.00 0.67 H new ATOM 0 HB3 ASN A 145 -1.298 -8.326 -10.987 1.00 0.67 H new ATOM 0 HD21 ASN A 145 -1.099 -8.272 -7.144 1.00 0.63 H new ATOM 0 HD22 ASN A 145 -2.227 -9.029 -8.273 1.00 0.63 H new ATOM 2000 N ALA A 146 -3.141 -10.589 -12.138 1.00 0.50 N ATOM 2001 CA ALA A 146 -4.472 -10.440 -12.782 1.00 0.32 C ATOM 2002 C ALA A 146 -5.441 -11.367 -12.059 1.00 0.31 C ATOM 2003 O ALA A 146 -6.626 -11.114 -11.984 1.00 0.25 O ATOM 2004 CB ALA A 146 -4.383 -10.837 -14.258 1.00 0.36 C ATOM 0 H ALA A 146 -2.430 -11.049 -12.707 1.00 0.50 H new ATOM 0 HA ALA A 146 -4.811 -9.406 -12.722 1.00 0.32 H new ATOM 0 HB1 ALA A 146 -5.362 -10.726 -14.724 1.00 0.36 H new ATOM 0 HB2 ALA A 146 -3.664 -10.194 -14.765 1.00 0.36 H new ATOM 0 HB3 ALA A 146 -4.060 -11.875 -14.337 1.00 0.36 H new ATOM 2010 N SER A 147 -4.934 -12.437 -11.508 1.00 0.45 N ATOM 2011 CA SER A 147 -5.812 -13.380 -10.771 1.00 0.54 C ATOM 2012 C SER A 147 -6.121 -12.796 -9.391 1.00 0.60 C ATOM 2013 O SER A 147 -7.219 -12.911 -8.893 1.00 0.66 O ATOM 2014 CB SER A 147 -5.104 -14.727 -10.615 1.00 0.67 C ATOM 2015 OG SER A 147 -5.682 -15.669 -11.509 1.00 1.29 O ATOM 0 H SER A 147 -3.948 -12.696 -11.539 1.00 0.45 H new ATOM 0 HA SER A 147 -6.740 -13.529 -11.323 1.00 0.54 H new ATOM 0 HB2 SER A 147 -4.040 -14.617 -10.823 1.00 0.67 H new ATOM 0 HB3 SER A 147 -5.194 -15.081 -9.588 1.00 0.67 H new ATOM 0 HG SER A 147 -5.229 -16.533 -11.412 1.00 1.29 H new ATOM 2021 N LEU A 148 -5.169 -12.153 -8.769 1.00 0.62 N ATOM 2022 CA LEU A 148 -5.449 -11.555 -7.432 1.00 0.66 C ATOM 2023 C LEU A 148 -6.534 -10.487 -7.604 1.00 0.54 C ATOM 2024 O LEU A 148 -7.509 -10.462 -6.890 1.00 0.61 O ATOM 2025 CB LEU A 148 -4.167 -10.920 -6.861 1.00 0.69 C ATOM 2026 CG LEU A 148 -4.518 -9.876 -5.787 1.00 0.65 C ATOM 2027 CD1 LEU A 148 -5.277 -10.542 -4.639 1.00 0.86 C ATOM 2028 CD2 LEU A 148 -3.241 -9.243 -5.253 1.00 0.87 C ATOM 0 H LEU A 148 -4.222 -12.017 -9.123 1.00 0.62 H new ATOM 0 HA LEU A 148 -5.788 -12.325 -6.739 1.00 0.66 H new ATOM 0 HB2 LEU A 148 -3.531 -11.694 -6.431 1.00 0.69 H new ATOM 0 HB3 LEU A 148 -3.599 -10.449 -7.663 1.00 0.69 H new ATOM 0 HG LEU A 148 -5.148 -9.106 -6.232 1.00 0.65 H new ATOM 0 HD11 LEU A 148 -5.522 -9.796 -3.883 1.00 0.86 H new ATOM 0 HD12 LEU A 148 -6.196 -10.987 -5.020 1.00 0.86 H new ATOM 0 HD13 LEU A 148 -4.655 -11.319 -4.194 1.00 0.86 H new ATOM 0 HD21 LEU A 148 -3.492 -8.504 -4.492 1.00 0.87 H new ATOM 0 HD22 LEU A 148 -2.608 -10.015 -4.814 1.00 0.87 H new ATOM 0 HD23 LEU A 148 -2.707 -8.757 -6.069 1.00 0.87 H new ATOM 2040 N LEU A 149 -6.346 -9.601 -8.539 1.00 0.41 N ATOM 2041 CA LEU A 149 -7.338 -8.516 -8.773 1.00 0.34 C ATOM 2042 C LEU A 149 -8.678 -9.133 -9.163 1.00 0.44 C ATOM 2043 O LEU A 149 -9.722 -8.654 -8.774 1.00 0.54 O ATOM 2044 CB LEU A 149 -6.826 -7.610 -9.899 1.00 0.17 C ATOM 2045 CG LEU A 149 -7.872 -6.547 -10.238 1.00 0.30 C ATOM 2046 CD1 LEU A 149 -8.218 -5.743 -8.984 1.00 0.38 C ATOM 2047 CD2 LEU A 149 -7.305 -5.605 -11.303 1.00 0.33 C ATOM 0 H LEU A 149 -5.537 -9.582 -9.160 1.00 0.41 H new ATOM 0 HA LEU A 149 -7.471 -7.926 -7.866 1.00 0.34 H new ATOM 0 HB2 LEU A 149 -5.895 -7.131 -9.595 1.00 0.17 H new ATOM 0 HB3 LEU A 149 -6.604 -8.207 -10.783 1.00 0.17 H new ATOM 0 HG LEU A 149 -8.773 -7.032 -10.614 1.00 0.30 H new ATOM 0 HD11 LEU A 149 -8.963 -4.987 -9.231 1.00 0.38 H new ATOM 0 HD12 LEU A 149 -8.618 -6.412 -8.222 1.00 0.38 H new ATOM 0 HD13 LEU A 149 -7.320 -5.256 -8.604 1.00 0.38 H new ATOM 0 HD21 LEU A 149 -8.047 -4.845 -11.549 1.00 0.33 H new ATOM 0 HD22 LEU A 149 -6.405 -5.124 -10.921 1.00 0.33 H new ATOM 0 HD23 LEU A 149 -7.059 -6.175 -12.199 1.00 0.33 H new ATOM 2059 N THR A 150 -8.663 -10.198 -9.917 1.00 0.42 N ATOM 2060 CA THR A 150 -9.949 -10.837 -10.303 1.00 0.51 C ATOM 2061 C THR A 150 -10.634 -11.342 -9.022 1.00 0.58 C ATOM 2062 O THR A 150 -11.842 -11.440 -8.940 1.00 0.63 O ATOM 2063 CB THR A 150 -9.678 -11.978 -11.316 1.00 0.54 C ATOM 2064 OG1 THR A 150 -10.796 -12.104 -12.180 1.00 0.76 O ATOM 2065 CG2 THR A 150 -9.431 -13.326 -10.624 1.00 1.00 C ATOM 0 H THR A 150 -7.823 -10.649 -10.279 1.00 0.42 H new ATOM 0 HA THR A 150 -10.614 -10.127 -10.794 1.00 0.51 H new ATOM 0 HB THR A 150 -8.777 -11.719 -11.872 1.00 0.54 H new ATOM 0 HG1 THR A 150 -10.631 -12.823 -12.825 1.00 0.76 H new ATOM 0 HG21 THR A 150 -9.246 -14.093 -11.376 1.00 1.00 H new ATOM 0 HG22 THR A 150 -8.564 -13.245 -9.968 1.00 1.00 H new ATOM 0 HG23 THR A 150 -10.307 -13.599 -10.036 1.00 1.00 H new ATOM 2073 N LYS A 151 -9.849 -11.652 -8.022 1.00 0.64 N ATOM 2074 CA LYS A 151 -10.413 -12.142 -6.732 1.00 0.73 C ATOM 2075 C LYS A 151 -10.956 -10.957 -5.926 1.00 0.70 C ATOM 2076 O LYS A 151 -11.987 -11.053 -5.290 1.00 0.75 O ATOM 2077 CB LYS A 151 -9.310 -12.844 -5.934 1.00 0.77 C ATOM 2078 CG LYS A 151 -9.852 -13.279 -4.570 1.00 0.98 C ATOM 2079 CD LYS A 151 -9.023 -12.629 -3.460 1.00 1.15 C ATOM 2080 CE LYS A 151 -7.989 -13.629 -2.940 1.00 1.96 C ATOM 2081 NZ LYS A 151 -8.632 -14.532 -1.944 1.00 1.93 N ATOM 0 H LYS A 151 -8.831 -11.585 -8.046 1.00 0.64 H new ATOM 0 HA LYS A 151 -11.224 -12.843 -6.930 1.00 0.73 H new ATOM 0 HB2 LYS A 151 -8.947 -13.712 -6.484 1.00 0.77 H new ATOM 0 HB3 LYS A 151 -8.462 -12.173 -5.801 1.00 0.77 H new ATOM 0 HG2 LYS A 151 -10.898 -12.990 -4.474 1.00 0.98 H new ATOM 0 HG3 LYS A 151 -9.812 -14.365 -4.480 1.00 0.98 H new ATOM 0 HD2 LYS A 151 -8.523 -11.738 -3.840 1.00 1.15 H new ATOM 0 HD3 LYS A 151 -9.674 -12.307 -2.647 1.00 1.15 H new ATOM 0 HE2 LYS A 151 -7.582 -14.212 -3.767 1.00 1.96 H new ATOM 0 HE3 LYS A 151 -7.153 -13.100 -2.482 1.00 1.96 H new ATOM 0 HZ1 LYS A 151 -7.931 -15.213 -1.589 1.00 1.93 H new ATOM 0 HZ2 LYS A 151 -9.000 -13.968 -1.151 1.00 1.93 H new ATOM 0 HZ3 LYS A 151 -9.415 -15.046 -2.396 1.00 1.93 H new ATOM 2095 N LEU A 152 -10.285 -9.832 -5.955 1.00 0.63 N ATOM 2096 CA LEU A 152 -10.791 -8.658 -5.198 1.00 0.61 C ATOM 2097 C LEU A 152 -12.121 -8.252 -5.812 1.00 0.61 C ATOM 2098 O LEU A 152 -13.007 -7.755 -5.146 1.00 0.65 O ATOM 2099 CB LEU A 152 -9.820 -7.470 -5.315 1.00 0.51 C ATOM 2100 CG LEU A 152 -8.362 -7.941 -5.262 1.00 0.57 C ATOM 2101 CD1 LEU A 152 -7.438 -6.722 -5.207 1.00 0.56 C ATOM 2102 CD2 LEU A 152 -8.138 -8.793 -4.014 1.00 0.68 C ATOM 0 H LEU A 152 -9.416 -9.681 -6.467 1.00 0.63 H new ATOM 0 HA LEU A 152 -10.894 -8.923 -4.146 1.00 0.61 H new ATOM 0 HB2 LEU A 152 -10.000 -6.940 -6.250 1.00 0.51 H new ATOM 0 HB3 LEU A 152 -10.007 -6.763 -4.507 1.00 0.51 H new ATOM 0 HG LEU A 152 -8.144 -8.534 -6.150 1.00 0.57 H new ATOM 0 HD11 LEU A 152 -6.400 -7.053 -5.169 1.00 0.56 H new ATOM 0 HD12 LEU A 152 -7.591 -6.109 -6.095 1.00 0.56 H new ATOM 0 HD13 LEU A 152 -7.664 -6.134 -4.317 1.00 0.56 H new ATOM 0 HD21 LEU A 152 -7.100 -9.125 -3.982 1.00 0.68 H new ATOM 0 HD22 LEU A 152 -8.358 -8.201 -3.125 1.00 0.68 H new ATOM 0 HD23 LEU A 152 -8.796 -9.661 -4.043 1.00 0.68 H new ATOM 2114 N GLN A 153 -12.255 -8.456 -7.091 1.00 0.69 N ATOM 2115 CA GLN A 153 -13.508 -8.078 -7.778 1.00 0.81 C ATOM 2116 C GLN A 153 -14.534 -9.211 -7.665 1.00 0.98 C ATOM 2117 O GLN A 153 -15.706 -9.023 -7.927 1.00 1.03 O ATOM 2118 CB GLN A 153 -13.204 -7.786 -9.246 1.00 0.87 C ATOM 2119 CG GLN A 153 -12.826 -6.311 -9.399 1.00 0.78 C ATOM 2120 CD GLN A 153 -14.011 -5.531 -9.976 1.00 1.23 C ATOM 2121 OE1 GLN A 153 -15.041 -6.100 -10.279 1.00 1.91 O ATOM 2122 NE2 GLN A 153 -13.906 -4.242 -10.143 1.00 1.38 N ATOM 0 H GLN A 153 -11.542 -8.872 -7.690 1.00 0.69 H new ATOM 0 HA GLN A 153 -13.926 -7.187 -7.310 1.00 0.81 H new ATOM 0 HB2 GLN A 153 -12.389 -8.420 -9.594 1.00 0.87 H new ATOM 0 HB3 GLN A 153 -14.073 -8.017 -9.862 1.00 0.87 H new ATOM 0 HG2 GLN A 153 -12.542 -5.896 -8.432 1.00 0.78 H new ATOM 0 HG3 GLN A 153 -11.960 -6.214 -10.054 1.00 0.78 H new ATOM 0 HE21 GLN A 153 -13.042 -3.764 -9.889 1.00 1.38 H new ATOM 0 HE22 GLN A 153 -14.688 -3.712 -10.528 1.00 1.38 H new ATOM 2131 N ALA A 154 -14.111 -10.381 -7.270 1.00 1.10 N ATOM 2132 CA ALA A 154 -15.072 -11.511 -7.134 1.00 1.32 C ATOM 2133 C ALA A 154 -15.655 -11.507 -5.719 1.00 1.37 C ATOM 2134 O ALA A 154 -15.705 -12.522 -5.053 1.00 2.03 O ATOM 2135 CB ALA A 154 -14.345 -12.835 -7.381 1.00 1.41 C ATOM 0 H ALA A 154 -13.143 -10.602 -7.036 1.00 1.10 H new ATOM 0 HA ALA A 154 -15.874 -11.398 -7.863 1.00 1.32 H new ATOM 0 HB1 ALA A 154 -15.049 -13.661 -7.281 1.00 1.41 H new ATOM 0 HB2 ALA A 154 -13.924 -12.837 -8.386 1.00 1.41 H new ATOM 0 HB3 ALA A 154 -13.543 -12.952 -6.652 1.00 1.41 H new ATOM 2141 N GLN A 155 -16.095 -10.369 -5.257 1.00 0.79 N ATOM 2142 CA GLN A 155 -16.673 -10.290 -3.887 1.00 0.82 C ATOM 2143 C GLN A 155 -18.111 -9.781 -3.983 1.00 0.85 C ATOM 2144 O GLN A 155 -18.474 -9.098 -4.921 1.00 0.83 O ATOM 2145 CB GLN A 155 -15.854 -9.319 -3.028 1.00 0.64 C ATOM 2146 CG GLN A 155 -14.353 -9.565 -3.230 1.00 0.67 C ATOM 2147 CD GLN A 155 -13.883 -10.684 -2.299 1.00 0.56 C ATOM 2148 OE1 GLN A 155 -14.677 -11.483 -1.841 1.00 0.64 O ATOM 2149 NE2 GLN A 155 -12.617 -10.777 -1.997 1.00 0.97 N ATOM 0 H GLN A 155 -16.079 -9.488 -5.771 1.00 0.79 H new ATOM 0 HA GLN A 155 -16.653 -11.279 -3.429 1.00 0.82 H new ATOM 0 HB2 GLN A 155 -16.100 -8.291 -3.294 1.00 0.64 H new ATOM 0 HB3 GLN A 155 -16.112 -9.446 -1.977 1.00 0.64 H new ATOM 0 HG2 GLN A 155 -14.156 -9.835 -4.267 1.00 0.67 H new ATOM 0 HG3 GLN A 155 -13.795 -8.651 -3.027 1.00 0.67 H new ATOM 0 HE21 GLN A 155 -11.951 -10.107 -2.381 1.00 0.97 H new ATOM 0 HE22 GLN A 155 -12.294 -11.520 -1.377 1.00 0.97 H new ATOM 2158 N ASN A 156 -18.932 -10.100 -3.023 1.00 0.92 N ATOM 2159 CA ASN A 156 -20.341 -9.622 -3.067 1.00 0.99 C ATOM 2160 C ASN A 156 -20.352 -8.098 -3.121 1.00 0.78 C ATOM 2161 O ASN A 156 -19.343 -7.455 -2.935 1.00 0.53 O ATOM 2162 CB ASN A 156 -21.082 -10.094 -1.816 1.00 1.08 C ATOM 2163 CG ASN A 156 -22.086 -11.183 -2.201 1.00 0.97 C ATOM 2164 OD1 ASN A 156 -22.814 -11.041 -3.163 1.00 1.00 O ATOM 2165 ND2 ASN A 156 -22.154 -12.272 -1.488 1.00 1.16 N ATOM 0 H ASN A 156 -18.690 -10.669 -2.212 1.00 0.92 H new ATOM 0 HA ASN A 156 -20.836 -10.024 -3.951 1.00 0.99 H new ATOM 0 HB2 ASN A 156 -20.373 -10.480 -1.084 1.00 1.08 H new ATOM 0 HB3 ASN A 156 -21.599 -9.256 -1.348 1.00 1.08 H new ATOM 0 HD21 ASN A 156 -22.818 -13.005 -1.738 1.00 1.16 H new ATOM 0 HD22 ASN A 156 -21.543 -12.392 -0.680 1.00 1.16 H new ATOM 2172 N GLN A 157 -21.487 -7.509 -3.367 1.00 1.01 N ATOM 2173 CA GLN A 157 -21.555 -6.021 -3.418 1.00 1.03 C ATOM 2174 C GLN A 157 -20.997 -5.446 -2.114 1.00 0.76 C ATOM 2175 O GLN A 157 -20.540 -4.323 -2.058 1.00 0.93 O ATOM 2176 CB GLN A 157 -23.015 -5.597 -3.563 1.00 1.28 C ATOM 2177 CG GLN A 157 -23.091 -4.078 -3.723 1.00 1.09 C ATOM 2178 CD GLN A 157 -24.200 -3.721 -4.715 1.00 1.69 C ATOM 2179 OE1 GLN A 157 -24.772 -4.590 -5.343 1.00 2.42 O ATOM 2180 NE2 GLN A 157 -24.529 -2.469 -4.883 1.00 1.73 N ATOM 0 H GLN A 157 -22.370 -7.991 -3.535 1.00 1.01 H new ATOM 0 HA GLN A 157 -20.973 -5.653 -4.263 1.00 1.03 H new ATOM 0 HB2 GLN A 157 -23.463 -6.087 -4.427 1.00 1.28 H new ATOM 0 HB3 GLN A 157 -23.584 -5.910 -2.688 1.00 1.28 H new ATOM 0 HG2 GLN A 157 -23.288 -3.610 -2.758 1.00 1.09 H new ATOM 0 HG3 GLN A 157 -22.135 -3.691 -4.076 1.00 1.09 H new ATOM 0 HE21 GLN A 157 -24.048 -1.740 -4.355 1.00 1.73 H new ATOM 0 HE22 GLN A 157 -25.267 -2.220 -5.542 1.00 1.73 H new ATOM 2189 N TRP A 158 -21.057 -6.214 -1.064 1.00 0.50 N ATOM 2190 CA TRP A 158 -20.562 -5.737 0.256 1.00 0.26 C ATOM 2191 C TRP A 158 -19.059 -6.002 0.407 1.00 0.29 C ATOM 2192 O TRP A 158 -18.267 -5.088 0.534 1.00 0.19 O ATOM 2193 CB TRP A 158 -21.312 -6.494 1.352 1.00 0.52 C ATOM 2194 CG TRP A 158 -20.927 -5.954 2.692 1.00 0.69 C ATOM 2195 CD1 TRP A 158 -19.876 -6.382 3.428 1.00 0.60 C ATOM 2196 CD2 TRP A 158 -21.568 -4.899 3.467 1.00 1.18 C ATOM 2197 NE1 TRP A 158 -19.831 -5.657 4.604 1.00 0.90 N ATOM 2198 CE2 TRP A 158 -20.852 -4.730 4.675 1.00 1.32 C ATOM 2199 CE3 TRP A 158 -22.689 -4.081 3.240 1.00 1.57 C ATOM 2200 CZ2 TRP A 158 -21.236 -3.784 5.626 1.00 1.85 C ATOM 2201 CZ3 TRP A 158 -23.077 -3.126 4.196 1.00 2.11 C ATOM 2202 CH2 TRP A 158 -22.352 -2.979 5.386 1.00 2.25 C ATOM 0 H TRP A 158 -21.432 -7.163 -1.064 1.00 0.50 H new ATOM 0 HA TRP A 158 -20.732 -4.663 0.334 1.00 0.26 H new ATOM 0 HB2 TRP A 158 -22.387 -6.395 1.205 1.00 0.52 H new ATOM 0 HB3 TRP A 158 -21.079 -7.557 1.297 1.00 0.52 H new ATOM 0 HD1 TRP A 158 -19.185 -7.162 3.144 1.00 0.60 H new ATOM 0 HE1 TRP A 158 -19.129 -5.791 5.331 1.00 0.90 H new ATOM 0 HE3 TRP A 158 -23.255 -4.187 2.326 1.00 1.57 H new ATOM 0 HZ2 TRP A 158 -20.674 -3.675 6.542 1.00 1.85 H new ATOM 0 HZ3 TRP A 158 -23.939 -2.502 4.012 1.00 2.11 H new ATOM 0 HH2 TRP A 158 -22.656 -2.244 6.117 1.00 2.25 H new ATOM 2213 N LEU A 159 -18.666 -7.246 0.420 1.00 0.59 N ATOM 2214 CA LEU A 159 -17.219 -7.584 0.594 1.00 0.67 C ATOM 2215 C LEU A 159 -16.349 -6.750 -0.352 1.00 0.67 C ATOM 2216 O LEU A 159 -15.224 -6.414 -0.035 1.00 0.75 O ATOM 2217 CB LEU A 159 -17.007 -9.069 0.296 1.00 0.77 C ATOM 2218 CG LEU A 159 -17.562 -9.904 1.452 1.00 0.98 C ATOM 2219 CD1 LEU A 159 -18.392 -11.058 0.890 1.00 1.37 C ATOM 2220 CD2 LEU A 159 -16.405 -10.465 2.282 1.00 0.91 C ATOM 0 H LEU A 159 -19.286 -8.049 0.317 1.00 0.59 H new ATOM 0 HA LEU A 159 -16.931 -7.362 1.621 1.00 0.67 H new ATOM 0 HB2 LEU A 159 -17.506 -9.339 -0.635 1.00 0.77 H new ATOM 0 HB3 LEU A 159 -15.945 -9.276 0.160 1.00 0.77 H new ATOM 0 HG LEU A 159 -18.189 -9.276 2.085 1.00 0.98 H new ATOM 0 HD11 LEU A 159 -18.789 -11.655 1.711 1.00 1.37 H new ATOM 0 HD12 LEU A 159 -19.217 -10.659 0.300 1.00 1.37 H new ATOM 0 HD13 LEU A 159 -17.763 -11.684 0.257 1.00 1.37 H new ATOM 0 HD21 LEU A 159 -16.802 -11.059 3.105 1.00 0.91 H new ATOM 0 HD22 LEU A 159 -15.776 -11.093 1.651 1.00 0.91 H new ATOM 0 HD23 LEU A 159 -15.812 -9.643 2.682 1.00 0.91 H new ATOM 2232 N GLN A 160 -16.851 -6.416 -1.505 1.00 0.65 N ATOM 2233 CA GLN A 160 -16.039 -5.611 -2.461 1.00 0.71 C ATOM 2234 C GLN A 160 -15.893 -4.185 -1.927 1.00 0.56 C ATOM 2235 O GLN A 160 -14.821 -3.614 -1.939 1.00 0.62 O ATOM 2236 CB GLN A 160 -16.727 -5.593 -3.832 1.00 0.85 C ATOM 2237 CG GLN A 160 -18.061 -4.846 -3.743 1.00 1.94 C ATOM 2238 CD GLN A 160 -18.792 -4.951 -5.082 1.00 2.20 C ATOM 2239 OE1 GLN A 160 -19.067 -3.951 -5.715 1.00 2.17 O ATOM 2240 NE2 GLN A 160 -19.118 -6.126 -5.543 1.00 3.08 N ATOM 0 H GLN A 160 -17.786 -6.664 -1.828 1.00 0.65 H new ATOM 0 HA GLN A 160 -15.050 -6.056 -2.568 1.00 0.71 H new ATOM 0 HB2 GLN A 160 -16.080 -5.112 -4.566 1.00 0.85 H new ATOM 0 HB3 GLN A 160 -16.895 -6.613 -4.176 1.00 0.85 H new ATOM 0 HG2 GLN A 160 -18.674 -5.268 -2.947 1.00 1.94 H new ATOM 0 HG3 GLN A 160 -17.888 -3.800 -3.491 1.00 1.94 H new ATOM 0 HE21 GLN A 160 -18.887 -6.965 -5.011 1.00 3.08 H new ATOM 0 HE22 GLN A 160 -19.604 -6.207 -6.436 1.00 3.08 H new ATOM 2249 N ASP A 161 -16.960 -3.608 -1.445 1.00 0.47 N ATOM 2250 CA ASP A 161 -16.871 -2.226 -0.899 1.00 0.49 C ATOM 2251 C ASP A 161 -15.892 -2.220 0.277 1.00 0.40 C ATOM 2252 O ASP A 161 -15.303 -1.210 0.606 1.00 0.54 O ATOM 2253 CB ASP A 161 -18.255 -1.775 -0.427 1.00 0.58 C ATOM 2254 CG ASP A 161 -18.234 -0.274 -0.130 1.00 0.73 C ATOM 2255 OD1 ASP A 161 -17.928 0.084 0.996 1.00 1.17 O ATOM 2256 OD2 ASP A 161 -18.524 0.492 -1.034 1.00 1.83 O ATOM 0 H ASP A 161 -17.886 -4.033 -1.406 1.00 0.47 H new ATOM 0 HA ASP A 161 -16.518 -1.542 -1.671 1.00 0.49 H new ATOM 0 HB2 ASP A 161 -19.000 -1.994 -1.192 1.00 0.58 H new ATOM 0 HB3 ASP A 161 -18.543 -2.328 0.467 1.00 0.58 H new ATOM 2261 N MET A 162 -15.707 -3.349 0.910 1.00 0.25 N ATOM 2262 CA MET A 162 -14.758 -3.416 2.058 1.00 0.25 C ATOM 2263 C MET A 162 -13.331 -3.543 1.519 1.00 0.22 C ATOM 2264 O MET A 162 -12.389 -3.050 2.104 1.00 0.23 O ATOM 2265 CB MET A 162 -15.088 -4.640 2.922 1.00 0.30 C ATOM 2266 CG MET A 162 -14.046 -4.790 4.037 1.00 1.33 C ATOM 2267 SD MET A 162 -12.914 -6.146 3.629 1.00 0.39 S ATOM 2268 CE MET A 162 -11.415 -5.152 3.426 1.00 0.65 C ATOM 0 H MET A 162 -16.173 -4.227 0.681 1.00 0.25 H new ATOM 0 HA MET A 162 -14.845 -2.513 2.662 1.00 0.25 H new ATOM 0 HB2 MET A 162 -16.083 -4.533 3.354 1.00 0.30 H new ATOM 0 HB3 MET A 162 -15.104 -5.538 2.304 1.00 0.30 H new ATOM 0 HG2 MET A 162 -13.489 -3.861 4.156 1.00 1.33 H new ATOM 0 HG3 MET A 162 -14.541 -4.989 4.987 1.00 1.33 H new ATOM 0 HE1 MET A 162 -10.588 -5.630 3.951 1.00 0.65 H new ATOM 0 HE2 MET A 162 -11.173 -5.071 2.366 1.00 0.65 H new ATOM 0 HE3 MET A 162 -11.580 -4.156 3.838 1.00 0.65 H new ATOM 2278 N THR A 163 -13.165 -4.212 0.411 1.00 0.24 N ATOM 2279 CA THR A 163 -11.801 -4.388 -0.166 1.00 0.30 C ATOM 2280 C THR A 163 -11.069 -3.043 -0.224 1.00 0.26 C ATOM 2281 O THR A 163 -10.066 -2.845 0.431 1.00 0.40 O ATOM 2282 CB THR A 163 -11.918 -4.973 -1.577 1.00 0.39 C ATOM 2283 OG1 THR A 163 -12.800 -6.087 -1.553 1.00 0.45 O ATOM 2284 CG2 THR A 163 -10.538 -5.421 -2.060 1.00 0.70 C ATOM 0 H THR A 163 -13.918 -4.646 -0.122 1.00 0.24 H new ATOM 0 HA THR A 163 -11.232 -5.068 0.468 1.00 0.30 H new ATOM 0 HB THR A 163 -12.309 -4.215 -2.256 1.00 0.39 H new ATOM 0 HG1 THR A 163 -12.878 -6.462 -2.455 1.00 0.45 H new ATOM 0 HG21 THR A 163 -10.621 -5.837 -3.064 1.00 0.70 H new ATOM 0 HG22 THR A 163 -9.863 -4.565 -2.077 1.00 0.70 H new ATOM 0 HG23 THR A 163 -10.145 -6.180 -1.384 1.00 0.70 H new ATOM 2292 N THR A 164 -11.557 -2.118 -1.005 1.00 0.43 N ATOM 2293 CA THR A 164 -10.881 -0.791 -1.109 1.00 0.53 C ATOM 2294 C THR A 164 -10.647 -0.203 0.288 1.00 0.46 C ATOM 2295 O THR A 164 -9.655 0.454 0.535 1.00 0.45 O ATOM 2296 CB THR A 164 -11.760 0.162 -1.926 1.00 0.78 C ATOM 2297 OG1 THR A 164 -11.079 1.396 -2.104 1.00 1.42 O ATOM 2298 CG2 THR A 164 -13.081 0.407 -1.194 1.00 1.37 C ATOM 0 H THR A 164 -12.395 -2.223 -1.576 1.00 0.43 H new ATOM 0 HA THR A 164 -9.918 -0.919 -1.602 1.00 0.53 H new ATOM 0 HB THR A 164 -11.968 -0.284 -2.898 1.00 0.78 H new ATOM 0 HG1 THR A 164 -11.639 2.006 -2.628 1.00 1.42 H new ATOM 0 HG21 THR A 164 -13.701 1.085 -1.780 1.00 1.37 H new ATOM 0 HG22 THR A 164 -13.604 -0.540 -1.061 1.00 1.37 H new ATOM 0 HG23 THR A 164 -12.880 0.850 -0.219 1.00 1.37 H new ATOM 2306 N HIS A 165 -11.554 -0.422 1.200 1.00 0.49 N ATOM 2307 CA HIS A 165 -11.384 0.137 2.573 1.00 0.62 C ATOM 2308 C HIS A 165 -10.085 -0.383 3.204 1.00 0.54 C ATOM 2309 O HIS A 165 -9.154 0.363 3.429 1.00 0.64 O ATOM 2310 CB HIS A 165 -12.581 -0.280 3.438 1.00 0.69 C ATOM 2311 CG HIS A 165 -12.385 0.197 4.852 1.00 0.90 C ATOM 2312 ND1 HIS A 165 -12.085 -0.675 5.886 1.00 0.91 N ATOM 2313 CD2 HIS A 165 -12.437 1.446 5.417 1.00 1.24 C ATOM 2314 CE1 HIS A 165 -11.968 0.053 7.009 1.00 1.25 C ATOM 2315 NE2 HIS A 165 -12.172 1.355 6.780 1.00 1.41 N ATOM 0 H HIS A 165 -12.406 -0.964 1.055 1.00 0.49 H new ATOM 0 HA HIS A 165 -11.331 1.224 2.513 1.00 0.62 H new ATOM 0 HB2 HIS A 165 -13.500 0.139 3.028 1.00 0.69 H new ATOM 0 HB3 HIS A 165 -12.691 -1.364 3.423 1.00 0.69 H new ATOM 0 HD2 HIS A 165 -12.651 2.361 4.885 1.00 1.24 H new ATOM 0 HE1 HIS A 165 -11.737 -0.362 7.979 1.00 1.25 H new ATOM 0 HE2 HIS A 165 -12.140 2.116 7.458 1.00 1.41 H new ATOM 2323 N LEU A 166 -10.025 -1.651 3.510 1.00 0.46 N ATOM 2324 CA LEU A 166 -8.799 -2.211 4.152 1.00 0.57 C ATOM 2325 C LEU A 166 -7.542 -1.793 3.380 1.00 0.48 C ATOM 2326 O LEU A 166 -6.495 -1.605 3.965 1.00 0.53 O ATOM 2327 CB LEU A 166 -8.894 -3.738 4.201 1.00 0.63 C ATOM 2328 CG LEU A 166 -7.655 -4.311 4.893 1.00 0.59 C ATOM 2329 CD1 LEU A 166 -7.953 -4.512 6.379 1.00 1.31 C ATOM 2330 CD2 LEU A 166 -7.297 -5.657 4.263 1.00 1.47 C ATOM 0 H LEU A 166 -10.772 -2.325 3.343 1.00 0.46 H new ATOM 0 HA LEU A 166 -8.728 -1.818 5.166 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -9.794 -4.039 4.738 1.00 0.63 H new ATOM 0 HB3 LEU A 166 -8.976 -4.139 3.191 1.00 0.63 H new ATOM 0 HG LEU A 166 -6.820 -3.620 4.776 1.00 0.59 H new ATOM 0 HD11 LEU A 166 -7.072 -4.920 6.875 1.00 1.31 H new ATOM 0 HD12 LEU A 166 -8.213 -3.555 6.831 1.00 1.31 H new ATOM 0 HD13 LEU A 166 -8.787 -5.205 6.492 1.00 1.31 H new ATOM 0 HD21 LEU A 166 -6.415 -6.066 4.755 1.00 1.47 H new ATOM 0 HD22 LEU A 166 -8.132 -6.348 4.382 1.00 1.47 H new ATOM 0 HD23 LEU A 166 -7.089 -5.518 3.202 1.00 1.47 H new ATOM 2342 N ILE A 167 -7.621 -1.640 2.084 1.00 0.35 N ATOM 2343 CA ILE A 167 -6.402 -1.227 1.327 1.00 0.28 C ATOM 2344 C ILE A 167 -5.917 0.113 1.876 1.00 0.28 C ATOM 2345 O ILE A 167 -4.772 0.266 2.238 1.00 0.32 O ATOM 2346 CB ILE A 167 -6.714 -1.072 -0.163 1.00 0.17 C ATOM 2347 CG1 ILE A 167 -7.149 -2.424 -0.734 1.00 0.24 C ATOM 2348 CG2 ILE A 167 -5.456 -0.583 -0.899 1.00 0.15 C ATOM 2349 CD1 ILE A 167 -7.559 -2.250 -2.199 1.00 0.13 C ATOM 0 H ILE A 167 -8.462 -1.780 1.524 1.00 0.35 H new ATOM 0 HA ILE A 167 -5.635 -1.993 1.444 1.00 0.28 H new ATOM 0 HB ILE A 167 -7.517 -0.347 -0.296 1.00 0.17 H new ATOM 0 HG12 ILE A 167 -6.334 -3.143 -0.656 1.00 0.24 H new ATOM 0 HG13 ILE A 167 -7.983 -2.824 -0.157 1.00 0.24 H new ATOM 0 HG21 ILE A 167 -5.676 -0.472 -1.961 1.00 0.15 H new ATOM 0 HG22 ILE A 167 -5.146 0.379 -0.490 1.00 0.15 H new ATOM 0 HG23 ILE A 167 -4.653 -1.309 -0.769 1.00 0.15 H new ATOM 0 HD11 ILE A 167 -7.869 -3.212 -2.607 1.00 0.13 H new ATOM 0 HD12 ILE A 167 -8.387 -1.545 -2.264 1.00 0.13 H new ATOM 0 HD13 ILE A 167 -6.713 -1.869 -2.771 1.00 0.13 H new ATOM 2361 N LEU A 168 -6.783 1.084 1.938 1.00 0.30 N ATOM 2362 CA LEU A 168 -6.371 2.412 2.467 1.00 0.35 C ATOM 2363 C LEU A 168 -5.871 2.248 3.906 1.00 0.40 C ATOM 2364 O LEU A 168 -5.134 3.069 4.414 1.00 0.42 O ATOM 2365 CB LEU A 168 -7.570 3.363 2.438 1.00 0.37 C ATOM 2366 CG LEU A 168 -8.104 3.463 1.007 1.00 0.37 C ATOM 2367 CD1 LEU A 168 -9.631 3.547 1.031 1.00 0.65 C ATOM 2368 CD2 LEU A 168 -7.536 4.716 0.336 1.00 0.49 C ATOM 0 H LEU A 168 -7.758 1.015 1.645 1.00 0.30 H new ATOM 0 HA LEU A 168 -5.571 2.824 1.852 1.00 0.35 H new ATOM 0 HB2 LEU A 168 -8.352 3.001 3.105 1.00 0.37 H new ATOM 0 HB3 LEU A 168 -7.275 4.349 2.798 1.00 0.37 H new ATOM 0 HG LEU A 168 -7.799 2.579 0.447 1.00 0.37 H new ATOM 0 HD11 LEU A 168 -10.008 3.618 0.011 1.00 0.65 H new ATOM 0 HD12 LEU A 168 -10.037 2.654 1.506 1.00 0.65 H new ATOM 0 HD13 LEU A 168 -9.938 4.429 1.593 1.00 0.65 H new ATOM 0 HD21 LEU A 168 -7.916 4.787 -0.683 1.00 0.49 H new ATOM 0 HD22 LEU A 168 -7.839 5.599 0.899 1.00 0.49 H new ATOM 0 HD23 LEU A 168 -6.448 4.655 0.314 1.00 0.49 H new ATOM 2380 N ARG A 169 -6.265 1.190 4.566 1.00 0.42 N ATOM 2381 CA ARG A 169 -5.811 0.972 5.968 1.00 0.47 C ATOM 2382 C ARG A 169 -4.377 0.435 5.969 1.00 0.41 C ATOM 2383 O ARG A 169 -3.603 0.717 6.862 1.00 0.39 O ATOM 2384 CB ARG A 169 -6.730 -0.040 6.654 1.00 0.57 C ATOM 2385 CG ARG A 169 -6.442 -0.050 8.158 1.00 0.44 C ATOM 2386 CD ARG A 169 -7.747 -0.255 8.930 1.00 1.25 C ATOM 2387 NE ARG A 169 -7.663 -1.516 9.719 1.00 0.93 N ATOM 2388 CZ ARG A 169 -6.940 -1.563 10.803 1.00 0.12 C ATOM 2389 NH1 ARG A 169 -7.445 -1.183 11.945 1.00 1.23 N ATOM 2390 NH2 ARG A 169 -5.708 -1.990 10.744 1.00 1.43 N ATOM 0 H ARG A 169 -6.882 0.468 4.193 1.00 0.42 H new ATOM 0 HA ARG A 169 -5.845 1.919 6.506 1.00 0.47 H new ATOM 0 HB2 ARG A 169 -7.773 0.219 6.474 1.00 0.57 H new ATOM 0 HB3 ARG A 169 -6.572 -1.034 6.235 1.00 0.57 H new ATOM 0 HG2 ARG A 169 -5.737 -0.846 8.398 1.00 0.44 H new ATOM 0 HG3 ARG A 169 -5.976 0.889 8.455 1.00 0.44 H new ATOM 0 HD2 ARG A 169 -7.926 0.591 9.594 1.00 1.25 H new ATOM 0 HD3 ARG A 169 -8.588 -0.301 8.238 1.00 1.25 H new ATOM 0 HE ARG A 169 -8.172 -2.344 9.411 1.00 0.93 H new ATOM 0 HH11 ARG A 169 -8.407 -0.848 11.991 1.00 1.23 H new ATOM 0 HH12 ARG A 169 -6.877 -1.221 12.792 1.00 1.23 H new ATOM 0 HH21 ARG A 169 -5.313 -2.286 9.851 1.00 1.43 H new ATOM 0 HH22 ARG A 169 -5.140 -2.028 11.591 1.00 1.43 H new ATOM 2404 N SER A 170 -4.007 -0.327 4.972 1.00 0.38 N ATOM 2405 CA SER A 170 -2.625 -0.858 4.929 1.00 0.34 C ATOM 2406 C SER A 170 -1.700 0.277 4.527 1.00 0.25 C ATOM 2407 O SER A 170 -0.718 0.551 5.170 1.00 0.24 O ATOM 2408 CB SER A 170 -2.535 -1.984 3.897 1.00 0.38 C ATOM 2409 OG SER A 170 -3.783 -2.660 3.830 1.00 2.09 O ATOM 0 H SER A 170 -4.604 -0.600 4.192 1.00 0.38 H new ATOM 0 HA SER A 170 -2.341 -1.254 5.904 1.00 0.34 H new ATOM 0 HB2 SER A 170 -2.276 -1.577 2.920 1.00 0.38 H new ATOM 0 HB3 SER A 170 -1.744 -2.682 4.172 1.00 0.38 H new ATOM 0 HG SER A 170 -3.735 -3.489 4.351 1.00 2.09 H new ATOM 2415 N PHE A 171 -2.018 0.963 3.473 1.00 0.21 N ATOM 2416 CA PHE A 171 -1.160 2.096 3.044 1.00 0.15 C ATOM 2417 C PHE A 171 -0.927 3.032 4.231 1.00 0.18 C ATOM 2418 O PHE A 171 0.168 3.484 4.465 1.00 0.19 O ATOM 2419 CB PHE A 171 -1.847 2.850 1.911 1.00 0.17 C ATOM 2420 CG PHE A 171 -1.537 2.163 0.608 1.00 0.12 C ATOM 2421 CD1 PHE A 171 -1.995 0.861 0.375 1.00 0.49 C ATOM 2422 CD2 PHE A 171 -0.783 2.825 -0.365 1.00 0.48 C ATOM 2423 CE1 PHE A 171 -1.701 0.222 -0.833 1.00 0.53 C ATOM 2424 CE2 PHE A 171 -0.487 2.187 -1.572 1.00 0.43 C ATOM 2425 CZ PHE A 171 -0.945 0.886 -1.807 1.00 0.12 C ATOM 0 H PHE A 171 -2.835 0.789 2.888 1.00 0.21 H new ATOM 0 HA PHE A 171 -0.200 1.720 2.691 1.00 0.15 H new ATOM 0 HB2 PHE A 171 -2.924 2.877 2.075 1.00 0.17 H new ATOM 0 HB3 PHE A 171 -1.502 3.884 1.883 1.00 0.17 H new ATOM 0 HD1 PHE A 171 -2.576 0.350 1.129 1.00 0.49 H new ATOM 0 HD2 PHE A 171 -0.429 3.829 -0.184 1.00 0.48 H new ATOM 0 HE1 PHE A 171 -2.056 -0.782 -1.015 1.00 0.53 H new ATOM 0 HE2 PHE A 171 0.096 2.698 -2.324 1.00 0.43 H new ATOM 0 HZ PHE A 171 -0.715 0.393 -2.740 1.00 0.12 H new ATOM 2435 N LYS A 172 -1.944 3.308 4.997 1.00 0.21 N ATOM 2436 CA LYS A 172 -1.757 4.201 6.173 1.00 0.25 C ATOM 2437 C LYS A 172 -0.684 3.605 7.095 1.00 0.26 C ATOM 2438 O LYS A 172 0.384 4.163 7.263 1.00 0.27 O ATOM 2439 CB LYS A 172 -3.076 4.328 6.940 1.00 0.25 C ATOM 2440 CG LYS A 172 -3.096 5.656 7.702 1.00 0.73 C ATOM 2441 CD LYS A 172 -4.036 6.637 6.998 1.00 0.47 C ATOM 2442 CE LYS A 172 -4.838 7.414 8.042 1.00 0.82 C ATOM 2443 NZ LYS A 172 -4.657 8.876 7.819 1.00 0.93 N ATOM 0 H LYS A 172 -2.892 2.956 4.861 1.00 0.21 H new ATOM 0 HA LYS A 172 -1.443 5.188 5.833 1.00 0.25 H new ATOM 0 HB2 LYS A 172 -3.917 4.280 6.249 1.00 0.25 H new ATOM 0 HB3 LYS A 172 -3.187 3.496 7.635 1.00 0.25 H new ATOM 0 HG2 LYS A 172 -3.426 5.493 8.728 1.00 0.73 H new ATOM 0 HG3 LYS A 172 -2.090 6.073 7.753 1.00 0.73 H new ATOM 0 HD2 LYS A 172 -3.462 7.326 6.378 1.00 0.47 H new ATOM 0 HD3 LYS A 172 -4.711 6.097 6.334 1.00 0.47 H new ATOM 0 HE2 LYS A 172 -5.894 7.153 7.974 1.00 0.82 H new ATOM 0 HE3 LYS A 172 -4.507 7.144 9.045 1.00 0.82 H new ATOM 0 HZ1 LYS A 172 -5.202 9.406 8.529 1.00 0.93 H new ATOM 0 HZ2 LYS A 172 -3.649 9.118 7.905 1.00 0.93 H new ATOM 0 HZ3 LYS A 172 -4.993 9.126 6.867 1.00 0.93 H new ATOM 2457 N GLU A 173 -0.961 2.476 7.692 1.00 0.26 N ATOM 2458 CA GLU A 173 0.042 1.848 8.603 1.00 0.27 C ATOM 2459 C GLU A 173 1.208 1.288 7.784 1.00 0.23 C ATOM 2460 O GLU A 173 2.313 1.775 7.866 1.00 0.25 O ATOM 2461 CB GLU A 173 -0.620 0.711 9.385 1.00 0.29 C ATOM 2462 CG GLU A 173 -1.143 1.241 10.724 1.00 0.85 C ATOM 2463 CD GLU A 173 -2.612 1.641 10.577 1.00 2.55 C ATOM 2464 OE1 GLU A 173 -2.983 2.068 9.496 1.00 3.71 O ATOM 2465 OE2 GLU A 173 -3.341 1.514 11.547 1.00 2.86 O ATOM 0 H GLU A 173 -1.836 1.962 7.589 1.00 0.26 H new ATOM 0 HA GLU A 173 0.417 2.601 9.297 1.00 0.27 H new ATOM 0 HB2 GLU A 173 -1.440 0.287 8.805 1.00 0.29 H new ATOM 0 HB3 GLU A 173 0.097 -0.092 9.556 1.00 0.29 H new ATOM 0 HG2 GLU A 173 -1.039 0.478 11.495 1.00 0.85 H new ATOM 0 HG3 GLU A 173 -0.552 2.099 11.043 1.00 0.85 H new ATOM 2472 N PHE A 174 0.954 0.258 7.009 1.00 0.21 N ATOM 2473 CA PHE A 174 2.016 -0.392 6.160 1.00 0.21 C ATOM 2474 C PHE A 174 3.057 0.623 5.657 1.00 0.18 C ATOM 2475 O PHE A 174 4.235 0.492 5.929 1.00 0.22 O ATOM 2476 CB PHE A 174 1.343 -1.057 4.956 1.00 0.25 C ATOM 2477 CG PHE A 174 2.133 -2.266 4.532 1.00 0.35 C ATOM 2478 CD1 PHE A 174 2.164 -3.403 5.345 1.00 1.86 C ATOM 2479 CD2 PHE A 174 2.834 -2.249 3.322 1.00 1.32 C ATOM 2480 CE1 PHE A 174 2.899 -4.527 4.949 1.00 2.03 C ATOM 2481 CE2 PHE A 174 3.568 -3.372 2.924 1.00 1.17 C ATOM 2482 CZ PHE A 174 3.601 -4.511 3.737 1.00 0.65 C ATOM 0 H PHE A 174 0.033 -0.172 6.925 1.00 0.21 H new ATOM 0 HA PHE A 174 2.538 -1.126 6.774 1.00 0.21 H new ATOM 0 HB2 PHE A 174 0.325 -1.349 5.213 1.00 0.25 H new ATOM 0 HB3 PHE A 174 1.273 -0.349 4.130 1.00 0.25 H new ATOM 0 HD1 PHE A 174 1.621 -3.414 6.278 1.00 1.86 H new ATOM 0 HD2 PHE A 174 2.809 -1.370 2.695 1.00 1.32 H new ATOM 0 HE1 PHE A 174 2.925 -5.405 5.577 1.00 2.03 H new ATOM 0 HE2 PHE A 174 4.109 -3.360 1.989 1.00 1.17 H new ATOM 0 HZ PHE A 174 4.168 -5.377 3.430 1.00 0.65 H new ATOM 2492 N LEU A 175 2.649 1.633 4.929 1.00 0.16 N ATOM 2493 CA LEU A 175 3.648 2.632 4.439 1.00 0.15 C ATOM 2494 C LEU A 175 4.291 3.311 5.648 1.00 0.14 C ATOM 2495 O LEU A 175 5.488 3.502 5.703 1.00 0.16 O ATOM 2496 CB LEU A 175 2.964 3.693 3.576 1.00 0.14 C ATOM 2497 CG LEU A 175 2.505 3.076 2.250 1.00 0.15 C ATOM 2498 CD1 LEU A 175 1.390 3.930 1.650 1.00 0.17 C ATOM 2499 CD2 LEU A 175 3.675 3.032 1.267 1.00 0.14 C ATOM 0 H LEU A 175 1.682 1.808 4.656 1.00 0.16 H new ATOM 0 HA LEU A 175 4.401 2.122 3.838 1.00 0.15 H new ATOM 0 HB2 LEU A 175 2.109 4.110 4.108 1.00 0.14 H new ATOM 0 HB3 LEU A 175 3.652 4.516 3.384 1.00 0.14 H new ATOM 0 HG LEU A 175 2.142 2.065 2.435 1.00 0.15 H new ATOM 0 HD11 LEU A 175 1.063 3.492 0.707 1.00 0.17 H new ATOM 0 HD12 LEU A 175 0.549 3.969 2.342 1.00 0.17 H new ATOM 0 HD13 LEU A 175 1.761 4.939 1.472 1.00 0.17 H new ATOM 0 HD21 LEU A 175 3.343 2.593 0.326 1.00 0.14 H new ATOM 0 HD22 LEU A 175 4.037 4.044 1.087 1.00 0.14 H new ATOM 0 HD23 LEU A 175 4.480 2.428 1.686 1.00 0.14 H new ATOM 2511 N GLN A 176 3.498 3.676 6.622 1.00 0.19 N ATOM 2512 CA GLN A 176 4.056 4.342 7.834 1.00 0.18 C ATOM 2513 C GLN A 176 5.167 3.471 8.429 1.00 0.18 C ATOM 2514 O GLN A 176 6.050 3.952 9.109 1.00 0.41 O ATOM 2515 CB GLN A 176 2.943 4.524 8.870 1.00 0.32 C ATOM 2516 CG GLN A 176 2.494 5.986 8.890 1.00 0.42 C ATOM 2517 CD GLN A 176 1.974 6.341 10.284 1.00 0.46 C ATOM 2518 OE1 GLN A 176 2.147 7.452 10.746 1.00 1.49 O ATOM 2519 NE2 GLN A 176 1.341 5.437 10.980 1.00 1.02 N ATOM 0 H GLN A 176 2.487 3.541 6.629 1.00 0.19 H new ATOM 0 HA GLN A 176 4.464 5.315 7.560 1.00 0.18 H new ATOM 0 HB2 GLN A 176 2.099 3.877 8.629 1.00 0.32 H new ATOM 0 HB3 GLN A 176 3.299 4.229 9.857 1.00 0.32 H new ATOM 0 HG2 GLN A 176 3.327 6.637 8.624 1.00 0.42 H new ATOM 0 HG3 GLN A 176 1.713 6.148 8.147 1.00 0.42 H new ATOM 0 HE21 GLN A 176 1.196 4.505 10.593 1.00 1.02 H new ATOM 0 HE22 GLN A 176 0.992 5.663 11.911 1.00 1.02 H new ATOM 2528 N SER A 177 5.130 2.191 8.171 1.00 0.45 N ATOM 2529 CA SER A 177 6.181 1.288 8.711 1.00 0.47 C ATOM 2530 C SER A 177 7.431 1.419 7.847 1.00 0.33 C ATOM 2531 O SER A 177 8.537 1.476 8.342 1.00 0.24 O ATOM 2532 CB SER A 177 5.684 -0.159 8.676 1.00 0.65 C ATOM 2533 OG SER A 177 4.534 -0.279 9.504 1.00 0.83 O ATOM 0 H SER A 177 4.414 1.733 7.607 1.00 0.45 H new ATOM 0 HA SER A 177 6.410 1.561 9.741 1.00 0.47 H new ATOM 0 HB2 SER A 177 5.442 -0.448 7.653 1.00 0.65 H new ATOM 0 HB3 SER A 177 6.467 -0.834 9.021 1.00 0.65 H new ATOM 0 HG SER A 177 4.211 -1.204 9.483 1.00 0.83 H new ATOM 2539 N SER A 178 7.259 1.482 6.555 1.00 0.37 N ATOM 2540 CA SER A 178 8.436 1.630 5.658 1.00 0.31 C ATOM 2541 C SER A 178 9.105 2.981 5.935 1.00 0.23 C ATOM 2542 O SER A 178 10.275 3.174 5.674 1.00 0.22 O ATOM 2543 CB SER A 178 7.977 1.570 4.200 1.00 0.50 C ATOM 2544 OG SER A 178 7.535 2.858 3.789 1.00 1.02 O ATOM 0 H SER A 178 6.355 1.437 6.084 1.00 0.37 H new ATOM 0 HA SER A 178 9.147 0.824 5.842 1.00 0.31 H new ATOM 0 HB2 SER A 178 8.796 1.234 3.563 1.00 0.50 H new ATOM 0 HB3 SER A 178 7.170 0.845 4.091 1.00 0.50 H new ATOM 0 HG SER A 178 6.825 3.167 4.389 1.00 1.02 H new ATOM 2550 N LEU A 179 8.363 3.918 6.467 1.00 0.28 N ATOM 2551 CA LEU A 179 8.943 5.258 6.768 1.00 0.28 C ATOM 2552 C LEU A 179 9.763 5.181 8.057 1.00 0.28 C ATOM 2553 O LEU A 179 10.889 5.631 8.114 1.00 0.27 O ATOM 2554 CB LEU A 179 7.811 6.271 6.950 1.00 0.41 C ATOM 2555 CG LEU A 179 8.117 7.535 6.145 1.00 0.79 C ATOM 2556 CD1 LEU A 179 6.810 8.265 5.827 1.00 1.58 C ATOM 2557 CD2 LEU A 179 9.025 8.454 6.966 1.00 1.88 C ATOM 0 H LEU A 179 7.377 3.811 6.706 1.00 0.28 H new ATOM 0 HA LEU A 179 9.586 5.569 5.944 1.00 0.28 H new ATOM 0 HB2 LEU A 179 6.866 5.838 6.621 1.00 0.41 H new ATOM 0 HB3 LEU A 179 7.698 6.519 8.005 1.00 0.41 H new ATOM 0 HG LEU A 179 8.618 7.262 5.216 1.00 0.79 H new ATOM 0 HD11 LEU A 179 7.027 9.166 5.253 1.00 1.58 H new ATOM 0 HD12 LEU A 179 6.161 7.611 5.245 1.00 1.58 H new ATOM 0 HD13 LEU A 179 6.310 8.538 6.756 1.00 1.58 H new ATOM 0 HD21 LEU A 179 9.244 9.355 6.393 1.00 1.88 H new ATOM 0 HD22 LEU A 179 8.523 8.727 7.894 1.00 1.88 H new ATOM 0 HD23 LEU A 179 9.956 7.935 7.196 1.00 1.88 H new ATOM 2569 N ARG A 180 9.202 4.621 9.094 1.00 0.31 N ATOM 2570 CA ARG A 180 9.947 4.520 10.381 1.00 0.33 C ATOM 2571 C ARG A 180 11.134 3.570 10.215 1.00 0.29 C ATOM 2572 O ARG A 180 12.091 3.621 10.962 1.00 0.33 O ATOM 2573 CB ARG A 180 9.015 3.984 11.471 1.00 0.36 C ATOM 2574 CG ARG A 180 7.901 4.999 11.736 1.00 1.34 C ATOM 2575 CD ARG A 180 8.462 6.177 12.533 1.00 1.46 C ATOM 2576 NE ARG A 180 8.990 5.687 13.837 1.00 0.99 N ATOM 2577 CZ ARG A 180 9.973 6.316 14.420 1.00 2.53 C ATOM 2578 NH1 ARG A 180 9.792 7.522 14.882 1.00 3.34 N ATOM 2579 NH2 ARG A 180 11.137 5.738 14.539 1.00 3.60 N ATOM 0 H ARG A 180 8.260 4.229 9.106 1.00 0.31 H new ATOM 0 HA ARG A 180 10.310 5.508 10.665 1.00 0.33 H new ATOM 0 HB2 ARG A 180 8.587 3.031 11.161 1.00 0.36 H new ATOM 0 HB3 ARG A 180 9.577 3.798 12.386 1.00 0.36 H new ATOM 0 HG2 ARG A 180 7.483 5.351 10.793 1.00 1.34 H new ATOM 0 HG3 ARG A 180 7.088 4.527 12.288 1.00 1.34 H new ATOM 0 HD2 ARG A 180 9.255 6.667 11.968 1.00 1.46 H new ATOM 0 HD3 ARG A 180 7.683 6.921 12.700 1.00 1.46 H new ATOM 0 HE ARG A 180 8.583 4.860 14.274 1.00 0.99 H new ATOM 0 HH11 ARG A 180 8.882 7.973 14.787 1.00 3.34 H new ATOM 0 HH12 ARG A 180 10.560 8.014 15.338 1.00 3.34 H new ATOM 0 HH21 ARG A 180 11.278 4.795 14.176 1.00 3.60 H new ATOM 0 HH22 ARG A 180 11.906 6.229 14.995 1.00 3.60 H new ATOM 2593 N ALA A 181 11.085 2.706 9.238 1.00 0.23 N ATOM 2594 CA ALA A 181 12.211 1.759 9.025 1.00 0.20 C ATOM 2595 C ALA A 181 13.294 2.456 8.205 1.00 0.20 C ATOM 2596 O ALA A 181 14.473 2.228 8.390 1.00 0.20 O ATOM 2597 CB ALA A 181 11.705 0.527 8.269 1.00 0.19 C ATOM 0 H ALA A 181 10.312 2.617 8.578 1.00 0.23 H new ATOM 0 HA ALA A 181 12.621 1.446 9.985 1.00 0.20 H new ATOM 0 HB1 ALA A 181 12.530 -0.168 8.112 1.00 0.19 H new ATOM 0 HB2 ALA A 181 10.924 0.038 8.851 1.00 0.19 H new ATOM 0 HB3 ALA A 181 11.300 0.833 7.304 1.00 0.19 H new ATOM 2603 N LEU A 182 12.901 3.314 7.305 1.00 0.21 N ATOM 2604 CA LEU A 182 13.905 4.035 6.481 1.00 0.22 C ATOM 2605 C LEU A 182 14.606 5.080 7.351 1.00 0.28 C ATOM 2606 O LEU A 182 15.752 5.418 7.133 1.00 0.32 O ATOM 2607 CB LEU A 182 13.204 4.728 5.311 1.00 0.22 C ATOM 2608 CG LEU A 182 12.813 3.686 4.263 1.00 0.87 C ATOM 2609 CD1 LEU A 182 11.747 4.271 3.334 1.00 1.42 C ATOM 2610 CD2 LEU A 182 14.047 3.299 3.445 1.00 1.37 C ATOM 0 H LEU A 182 11.928 3.546 7.106 1.00 0.21 H new ATOM 0 HA LEU A 182 14.638 3.329 6.092 1.00 0.22 H new ATOM 0 HB2 LEU A 182 12.317 5.255 5.664 1.00 0.22 H new ATOM 0 HB3 LEU A 182 13.863 5.475 4.869 1.00 0.22 H new ATOM 0 HG LEU A 182 12.414 2.802 4.760 1.00 0.87 H new ATOM 0 HD11 LEU A 182 11.468 3.528 2.587 1.00 1.42 H new ATOM 0 HD12 LEU A 182 10.868 4.547 3.917 1.00 1.42 H new ATOM 0 HD13 LEU A 182 12.144 5.155 2.836 1.00 1.42 H new ATOM 0 HD21 LEU A 182 13.770 2.556 2.697 1.00 1.37 H new ATOM 0 HD22 LEU A 182 14.446 4.183 2.947 1.00 1.37 H new ATOM 0 HD23 LEU A 182 14.806 2.882 4.107 1.00 1.37 H new ATOM 2622 N ARG A 183 13.923 5.587 8.340 1.00 0.32 N ATOM 2623 CA ARG A 183 14.542 6.604 9.233 1.00 0.38 C ATOM 2624 C ARG A 183 15.372 5.893 10.304 1.00 0.39 C ATOM 2625 O ARG A 183 16.355 6.415 10.790 1.00 0.42 O ATOM 2626 CB ARG A 183 13.443 7.432 9.903 1.00 0.43 C ATOM 2627 CG ARG A 183 13.140 8.668 9.052 1.00 1.29 C ATOM 2628 CD ARG A 183 12.505 9.746 9.931 1.00 1.31 C ATOM 2629 NE ARG A 183 13.435 10.903 10.045 1.00 0.70 N ATOM 2630 CZ ARG A 183 14.344 10.917 10.979 1.00 0.74 C ATOM 2631 NH1 ARG A 183 13.999 11.109 12.223 1.00 1.15 N ATOM 2632 NH2 ARG A 183 15.600 10.735 10.671 1.00 2.14 N ATOM 0 H ARG A 183 12.960 5.339 8.568 1.00 0.32 H new ATOM 0 HA ARG A 183 15.184 7.263 8.649 1.00 0.38 H new ATOM 0 HB2 ARG A 183 12.542 6.830 10.022 1.00 0.43 H new ATOM 0 HB3 ARG A 183 13.759 7.734 10.902 1.00 0.43 H new ATOM 0 HG2 ARG A 183 14.057 9.046 8.600 1.00 1.29 H new ATOM 0 HG3 ARG A 183 12.467 8.405 8.236 1.00 1.29 H new ATOM 0 HD2 ARG A 183 11.557 10.069 9.502 1.00 1.31 H new ATOM 0 HD3 ARG A 183 12.286 9.342 10.920 1.00 1.31 H new ATOM 0 HE ARG A 183 13.361 11.684 9.393 1.00 0.70 H new ATOM 0 HH11 ARG A 183 13.018 11.248 12.464 1.00 1.15 H new ATOM 0 HH12 ARG A 183 14.711 11.120 12.954 1.00 1.15 H new ATOM 0 HH21 ARG A 183 15.870 10.582 9.699 1.00 2.14 H new ATOM 0 HH22 ARG A 183 16.311 10.746 11.402 1.00 2.14 H new ATOM 2646 N GLN A 184 14.988 4.698 10.666 1.00 0.37 N ATOM 2647 CA GLN A 184 15.756 3.948 11.696 1.00 0.39 C ATOM 2648 C GLN A 184 17.021 3.371 11.058 1.00 0.38 C ATOM 2649 O GLN A 184 17.985 3.066 11.731 1.00 0.42 O ATOM 2650 CB GLN A 184 14.896 2.807 12.247 1.00 0.32 C ATOM 2651 CG GLN A 184 14.214 3.255 13.541 1.00 0.72 C ATOM 2652 CD GLN A 184 15.077 2.858 14.741 1.00 0.63 C ATOM 2653 OE1 GLN A 184 15.355 3.672 15.599 1.00 1.21 O ATOM 2654 NE2 GLN A 184 15.513 1.632 14.837 1.00 1.65 N ATOM 0 H GLN A 184 14.174 4.210 10.291 1.00 0.37 H new ATOM 0 HA GLN A 184 16.029 4.619 12.510 1.00 0.39 H new ATOM 0 HB2 GLN A 184 14.146 2.516 11.511 1.00 0.32 H new ATOM 0 HB3 GLN A 184 15.515 1.930 12.436 1.00 0.32 H new ATOM 0 HG2 GLN A 184 14.064 4.335 13.530 1.00 0.72 H new ATOM 0 HG3 GLN A 184 13.228 2.797 13.622 1.00 0.72 H new ATOM 0 HE21 GLN A 184 15.279 0.950 14.116 1.00 1.65 H new ATOM 0 HE22 GLN A 184 16.088 1.356 15.633 1.00 1.65 H new ATOM 2663 N MET A 185 17.023 3.217 9.761 1.00 0.36 N ATOM 2664 CA MET A 185 18.219 2.661 9.078 1.00 0.40 C ATOM 2665 C MET A 185 19.384 3.650 9.196 1.00 0.70 C ATOM 2666 O MET A 185 19.638 4.105 10.300 1.00 1.75 O ATOM 2667 CB MET A 185 17.893 2.427 7.601 1.00 0.54 C ATOM 2668 CG MET A 185 17.128 1.110 7.448 1.00 0.26 C ATOM 2669 SD MET A 185 16.195 1.137 5.898 1.00 0.66 S ATOM 2670 CE MET A 185 14.791 0.135 6.447 1.00 0.53 C ATOM 2671 OXT MET A 185 20.004 3.935 8.183 1.00 0.62 O ATOM 0 H MET A 185 16.244 3.454 9.146 1.00 0.36 H new ATOM 0 HA MET A 185 18.500 1.717 9.544 1.00 0.40 H new ATOM 0 HB2 MET A 185 17.296 3.253 7.214 1.00 0.54 H new ATOM 0 HB3 MET A 185 18.812 2.396 7.016 1.00 0.54 H new ATOM 0 HG2 MET A 185 17.823 0.270 7.453 1.00 0.26 H new ATOM 0 HG3 MET A 185 16.451 0.969 8.291 1.00 0.26 H new ATOM 0 HE1 MET A 185 14.810 -0.828 5.937 1.00 0.53 H new ATOM 0 HE2 MET A 185 14.856 -0.023 7.524 1.00 0.53 H new ATOM 0 HE3 MET A 185 13.861 0.652 6.212 1.00 0.53 H new