USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1108 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 10 ASN : amide:sc= 0.407 K(o=2.3,f=0.36) USER MOD Set 1.2: A 169 SER OG : rot -154:sc= 1.85 USER MOD Set 2.1: A 11 TYR OH : rot -147:sc= 2.3 USER MOD Set 2.2: A 168 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 121 LYS NZ :NH3+ -171:sc= 2.02 (180deg=0.943) USER MOD Set 3.2: A 140 TYR OH : rot -116:sc= 2.06 USER MOD Set 4.1: A 86 GLN : amide:sc= -0.17 K(o=-0.1,f=-0.67) USER MOD Set 4.2: A 89 LYS NZ :NH3+ -169:sc= 0.0708 (180deg=0) USER MOD Set 5.1: A 64 LYS NZ :NH3+ -165:sc= 1.98 (180deg=-1.19!) USER MOD Set 5.2: A 67 ASN : amide:sc= 2.97 K(o=6.2,f=-7.8) USER MOD Set 5.3: A 100 ASN : amide:sc= 1.25 K(o=6.2,f=-4.7!) USER MOD Set 6.1: A 60 GLN : amide:sc= 1.74 K(o=2.8,f=-1.4) USER MOD Set 6.2: A 97 SER OG : rot 125:sc= 1.02 USER MOD Set 7.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 56 MET CE :methyl 141:sc= -0.456 (180deg=-2.7) USER MOD Set 8.1: A 24 LYS NZ :NH3+ -178:sc= 2.31 (180deg=0.984) USER MOD Set 8.2: A 25 ASN : amide:sc= 0.909 K(o=3.2,f=-9.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 20 ASN : amide:sc= 1.75 K(o=1.7,f=-13!) USER MOD Single : A 21 GLN : amide:sc= -0.824 X(o=-0.82,f=-1.2) USER MOD Single : A 27 SER OG : rot 159:sc= 1.74 USER MOD Single : A 30 SER OG : rot -150:sc= 0.854 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.16) USER MOD Single : A 43 THR OG1 : rot -23:sc= 1.1 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -173:sc= -0.079 (180deg=-0.161) USER MOD Single : A 55 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.072) USER MOD Single : A 57 THR OG1 : rot 19:sc= 1.1 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 0.0112! (180deg=-0.822!) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0.885) USER MOD Single : A 74 SER OG : rot -139:sc= 0.675 USER MOD Single : A 76 SER OG : rot 34:sc= 0.0384 USER MOD Single : A 81 ASN : amide:sc= 0.529 K(o=0.53,f=-0.25) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 1.51 (180deg=1.22) USER MOD Single : A 93 ASN : amide:sc= -0.0623 K(o=-0.062,f=-1) USER MOD Single : A 94 TYR OH : rot 15:sc= 0.671 USER MOD Single : A 105 THR OG1 : rot -78:sc= 0.899 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 98:sc= 0.613 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.937 F(o=-2.7,f=-0.94) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0.835 (180deg=0.521) USER MOD Single : A 119 SER OG : rot -77:sc= 0.437 USER MOD Single : A 138 SER OG : rot -124:sc= 1.27 USER MOD Single : A 147 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.15) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.57) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 151:sc= 1.14 USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.152 -9.752 9.429 1.00 1.07 N ATOM 113 CA ASP A 7 -14.212 -9.422 8.368 1.00 1.29 C ATOM 114 C ASP A 7 -13.322 -10.646 8.064 1.00 1.09 C ATOM 115 O ASP A 7 -12.119 -10.629 8.324 1.00 2.07 O ATOM 116 CB ASP A 7 -13.382 -8.202 8.833 1.00 2.51 C ATOM 117 CG ASP A 7 -12.725 -8.355 10.220 1.00 3.54 C ATOM 118 OD1 ASP A 7 -13.230 -9.169 11.033 1.00 4.24 O ATOM 119 OD2 ASP A 7 -11.739 -7.626 10.469 1.00 4.25 O ATOM 0 HA ASP A 7 -14.730 -9.166 7.444 1.00 1.29 H new ATOM 0 HB2 ASP A 7 -12.602 -8.010 8.097 1.00 2.51 H new ATOM 0 HB3 ASP A 7 -14.029 -7.325 8.848 1.00 2.51 H new ATOM 124 N PRO A 8 -13.871 -11.743 7.507 1.00 1.23 N ATOM 125 CA PRO A 8 -13.112 -12.956 7.221 1.00 2.01 C ATOM 126 C PRO A 8 -12.347 -12.809 5.896 1.00 1.48 C ATOM 127 O PRO A 8 -12.581 -13.565 4.952 1.00 1.85 O ATOM 128 CB PRO A 8 -14.178 -14.056 7.158 1.00 3.07 C ATOM 129 CG PRO A 8 -15.358 -13.320 6.520 1.00 3.02 C ATOM 130 CD PRO A 8 -15.269 -11.927 7.148 1.00 2.11 C ATOM 0 HA PRO A 8 -12.352 -13.178 7.970 1.00 2.01 H new ATOM 0 HB2 PRO A 8 -13.853 -14.905 6.556 1.00 3.07 H new ATOM 0 HB3 PRO A 8 -14.425 -14.442 8.147 1.00 3.07 H new ATOM 0 HG2 PRO A 8 -15.271 -13.280 5.434 1.00 3.02 H new ATOM 0 HG3 PRO A 8 -16.307 -13.806 6.746 1.00 3.02 H new ATOM 0 HD2 PRO A 8 -15.597 -11.160 6.446 1.00 2.11 H new ATOM 0 HD3 PRO A 8 -15.911 -11.852 8.025 1.00 2.11 H new ATOM 138 N LEU A 9 -11.429 -11.847 5.818 1.00 1.06 N ATOM 139 CA LEU A 9 -10.708 -11.531 4.592 1.00 0.67 C ATOM 140 C LEU A 9 -9.429 -12.373 4.559 1.00 0.62 C ATOM 141 O LEU A 9 -8.891 -12.728 5.607 1.00 0.64 O ATOM 142 CB LEU A 9 -10.477 -10.023 4.375 1.00 1.03 C ATOM 143 CG LEU A 9 -11.157 -9.089 5.390 1.00 1.62 C ATOM 144 CD1 LEU A 9 -10.519 -7.705 5.367 1.00 2.24 C ATOM 145 CD2 LEU A 9 -12.665 -8.975 5.149 1.00 1.63 C ATOM 0 H LEU A 9 -11.165 -11.262 6.611 1.00 1.06 H new ATOM 0 HA LEU A 9 -11.326 -11.798 3.735 1.00 0.67 H new ATOM 0 HB2 LEU A 9 -9.404 -9.832 4.396 1.00 1.03 H new ATOM 0 HB3 LEU A 9 -10.828 -9.761 3.377 1.00 1.03 H new ATOM 0 HG LEU A 9 -11.010 -9.533 6.375 1.00 1.62 H new ATOM 0 HD11 LEU A 9 -11.017 -7.063 6.093 1.00 2.24 H new ATOM 0 HD12 LEU A 9 -9.462 -7.787 5.620 1.00 2.24 H new ATOM 0 HD13 LEU A 9 -10.621 -7.274 4.371 1.00 2.24 H new ATOM 0 HD21 LEU A 9 -13.102 -8.305 5.890 1.00 1.63 H new ATOM 0 HD22 LEU A 9 -12.845 -8.578 4.150 1.00 1.63 H new ATOM 0 HD23 LEU A 9 -13.123 -9.960 5.236 1.00 1.63 H new ATOM 157 N ASN A 10 -8.968 -12.749 3.366 1.00 0.64 N ATOM 158 CA ASN A 10 -7.761 -13.552 3.187 1.00 0.74 C ATOM 159 C ASN A 10 -7.177 -13.212 1.827 1.00 0.78 C ATOM 160 O ASN A 10 -6.925 -14.109 1.022 1.00 0.94 O ATOM 161 CB ASN A 10 -8.107 -15.051 3.210 1.00 0.81 C ATOM 162 CG ASN A 10 -8.736 -15.545 4.503 1.00 1.08 C ATOM 163 OD1 ASN A 10 -8.033 -15.939 5.432 1.00 1.70 O ATOM 164 ND2 ASN A 10 -10.065 -15.587 4.540 1.00 1.40 N ATOM 0 H ASN A 10 -9.427 -12.502 2.489 1.00 0.64 H new ATOM 0 HA ASN A 10 -7.055 -13.339 3.990 1.00 0.74 H new ATOM 0 HB2 ASN A 10 -8.789 -15.264 2.387 1.00 0.81 H new ATOM 0 HB3 ASN A 10 -7.197 -15.622 3.025 1.00 0.81 H new ATOM 0 HD21 ASN A 10 -10.541 -15.957 5.363 1.00 1.40 H new ATOM 0 HD22 ASN A 10 -10.608 -15.249 3.746 1.00 1.40 H new ATOM 171 N TYR A 11 -6.937 -11.924 1.597 1.00 0.75 N ATOM 172 CA TYR A 11 -6.667 -11.441 0.242 1.00 0.77 C ATOM 173 C TYR A 11 -5.218 -11.748 -0.145 1.00 0.73 C ATOM 174 O TYR A 11 -4.309 -11.095 0.369 1.00 0.67 O ATOM 175 CB TYR A 11 -6.968 -9.941 0.167 1.00 0.76 C ATOM 176 CG TYR A 11 -7.552 -9.405 -1.128 1.00 0.82 C ATOM 177 CD1 TYR A 11 -7.371 -10.088 -2.346 1.00 1.75 C ATOM 178 CD2 TYR A 11 -8.164 -8.136 -1.134 1.00 2.17 C ATOM 179 CE1 TYR A 11 -7.916 -9.575 -3.530 1.00 1.89 C ATOM 180 CE2 TYR A 11 -8.623 -7.576 -2.339 1.00 2.15 C ATOM 181 CZ TYR A 11 -8.510 -8.309 -3.531 1.00 1.05 C ATOM 182 OH TYR A 11 -8.997 -7.802 -4.697 1.00 1.27 O ATOM 0 H TYR A 11 -6.923 -11.203 2.319 1.00 0.75 H new ATOM 0 HA TYR A 11 -7.313 -11.954 -0.471 1.00 0.77 H new ATOM 0 HB2 TYR A 11 -7.659 -9.696 0.974 1.00 0.76 H new ATOM 0 HB3 TYR A 11 -6.042 -9.402 0.366 1.00 0.76 H new ATOM 0 HD1 TYR A 11 -6.810 -11.011 -2.367 1.00 1.75 H new ATOM 0 HD2 TYR A 11 -8.281 -7.591 -0.209 1.00 2.17 H new ATOM 0 HE1 TYR A 11 -7.878 -10.156 -4.440 1.00 1.89 H new ATOM 0 HE2 TYR A 11 -9.060 -6.588 -2.348 1.00 2.15 H new ATOM 0 HH TYR A 11 -8.889 -6.828 -4.700 1.00 1.27 H new ATOM 192 N GLU A 12 -4.985 -12.767 -0.975 1.00 0.85 N ATOM 193 CA GLU A 12 -3.649 -13.334 -1.158 1.00 0.85 C ATOM 194 C GLU A 12 -2.820 -12.520 -2.160 1.00 0.74 C ATOM 195 O GLU A 12 -3.077 -12.554 -3.363 1.00 0.89 O ATOM 196 CB GLU A 12 -3.743 -14.827 -1.534 1.00 1.15 C ATOM 197 CG GLU A 12 -3.118 -15.772 -0.479 1.00 1.80 C ATOM 198 CD GLU A 12 -4.131 -16.786 0.021 1.00 2.45 C ATOM 199 OE1 GLU A 12 -4.765 -17.446 -0.830 1.00 2.69 O ATOM 200 OE2 GLU A 12 -4.448 -16.788 1.234 1.00 3.77 O ATOM 0 H GLU A 12 -5.710 -13.218 -1.534 1.00 0.85 H new ATOM 0 HA GLU A 12 -3.116 -13.273 -0.209 1.00 0.85 H new ATOM 0 HB2 GLU A 12 -4.791 -15.093 -1.672 1.00 1.15 H new ATOM 0 HB3 GLU A 12 -3.245 -14.984 -2.491 1.00 1.15 H new ATOM 0 HG2 GLU A 12 -2.264 -16.292 -0.913 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -2.742 -15.186 0.360 1.00 1.80 H new ATOM 207 N VAL A 13 -1.788 -11.816 -1.676 1.00 0.59 N ATOM 208 CA VAL A 13 -0.854 -11.105 -2.531 1.00 0.54 C ATOM 209 C VAL A 13 0.228 -12.077 -3.031 1.00 0.60 C ATOM 210 O VAL A 13 0.841 -12.791 -2.237 1.00 0.76 O ATOM 211 CB VAL A 13 -0.306 -9.854 -1.809 1.00 0.58 C ATOM 212 CG1 VAL A 13 -1.374 -9.133 -0.972 1.00 1.78 C ATOM 213 CG2 VAL A 13 0.913 -10.111 -0.923 1.00 1.52 C ATOM 0 H VAL A 13 -1.585 -11.729 -0.680 1.00 0.59 H new ATOM 0 HA VAL A 13 -1.359 -10.726 -3.420 1.00 0.54 H new ATOM 0 HB VAL A 13 0.011 -9.215 -2.634 1.00 0.58 H new ATOM 0 HG11 VAL A 13 -0.931 -8.262 -0.488 1.00 1.78 H new ATOM 0 HG12 VAL A 13 -2.189 -8.812 -1.621 1.00 1.78 H new ATOM 0 HG13 VAL A 13 -1.761 -9.812 -0.212 1.00 1.78 H new ATOM 0 HG21 VAL A 13 1.228 -9.177 -0.457 1.00 1.52 H new ATOM 0 HG22 VAL A 13 0.654 -10.833 -0.149 1.00 1.52 H new ATOM 0 HG23 VAL A 13 1.727 -10.506 -1.530 1.00 1.52 H new ATOM 223 N GLU A 14 0.447 -12.134 -4.350 1.00 0.76 N ATOM 224 CA GLU A 14 1.370 -13.085 -4.961 1.00 0.87 C ATOM 225 C GLU A 14 2.822 -12.821 -4.535 1.00 0.79 C ATOM 226 O GLU A 14 3.267 -11.675 -4.612 1.00 0.78 O ATOM 227 CB GLU A 14 1.263 -13.005 -6.483 1.00 1.09 C ATOM 228 CG GLU A 14 -0.099 -13.455 -7.025 1.00 1.63 C ATOM 229 CD GLU A 14 -0.192 -14.964 -7.233 1.00 2.23 C ATOM 230 OE1 GLU A 14 0.536 -15.695 -6.527 1.00 3.10 O ATOM 231 OE2 GLU A 14 -0.993 -15.352 -8.111 1.00 2.96 O ATOM 0 H GLU A 14 -0.014 -11.519 -5.021 1.00 0.76 H new ATOM 0 HA GLU A 14 1.094 -14.082 -4.619 1.00 0.87 H new ATOM 0 HB2 GLU A 14 1.450 -11.979 -6.799 1.00 1.09 H new ATOM 0 HB3 GLU A 14 2.044 -13.622 -6.927 1.00 1.09 H new ATOM 0 HG2 GLU A 14 -0.880 -13.141 -6.333 1.00 1.63 H new ATOM 0 HG3 GLU A 14 -0.291 -12.951 -7.972 1.00 1.63 H new ATOM 238 N PRO A 15 3.586 -13.848 -4.123 1.00 0.80 N ATOM 239 CA PRO A 15 5.027 -13.741 -3.943 1.00 0.80 C ATOM 240 C PRO A 15 5.713 -13.183 -5.191 1.00 0.80 C ATOM 241 O PRO A 15 5.388 -13.590 -6.304 1.00 0.85 O ATOM 242 CB PRO A 15 5.514 -15.151 -3.612 1.00 0.88 C ATOM 243 CG PRO A 15 4.282 -15.788 -2.972 1.00 0.92 C ATOM 244 CD PRO A 15 3.132 -15.183 -3.777 1.00 0.88 C ATOM 0 HA PRO A 15 5.273 -13.042 -3.143 1.00 0.80 H new ATOM 0 HB2 PRO A 15 5.831 -15.690 -4.505 1.00 0.88 H new ATOM 0 HB3 PRO A 15 6.364 -15.136 -2.929 1.00 0.88 H new ATOM 0 HG2 PRO A 15 4.302 -16.875 -3.050 1.00 0.92 H new ATOM 0 HG3 PRO A 15 4.206 -15.545 -1.912 1.00 0.92 H new ATOM 0 HD2 PRO A 15 2.920 -15.773 -4.669 1.00 0.88 H new ATOM 0 HD3 PRO A 15 2.213 -15.149 -3.191 1.00 0.88 H new ATOM 252 N PHE A 16 6.655 -12.251 -5.014 1.00 0.76 N ATOM 253 CA PHE A 16 7.366 -11.587 -6.090 1.00 0.76 C ATOM 254 C PHE A 16 8.464 -10.751 -5.436 1.00 0.68 C ATOM 255 O PHE A 16 8.454 -10.593 -4.208 1.00 0.67 O ATOM 256 CB PHE A 16 6.408 -10.714 -6.918 1.00 0.83 C ATOM 257 CG PHE A 16 6.964 -10.298 -8.264 1.00 0.97 C ATOM 258 CD1 PHE A 16 7.085 -11.254 -9.289 1.00 2.22 C ATOM 259 CD2 PHE A 16 7.390 -8.977 -8.488 1.00 1.55 C ATOM 260 CE1 PHE A 16 7.633 -10.892 -10.531 1.00 2.42 C ATOM 261 CE2 PHE A 16 7.940 -8.614 -9.730 1.00 1.66 C ATOM 262 CZ PHE A 16 8.062 -9.571 -10.752 1.00 1.49 C ATOM 0 H PHE A 16 6.946 -11.935 -4.089 1.00 0.76 H new ATOM 0 HA PHE A 16 7.798 -12.308 -6.783 1.00 0.76 H new ATOM 0 HB2 PHE A 16 5.477 -11.260 -7.073 1.00 0.83 H new ATOM 0 HB3 PHE A 16 6.161 -9.820 -6.346 1.00 0.83 H new ATOM 0 HD1 PHE A 16 6.756 -12.269 -9.121 1.00 2.22 H new ATOM 0 HD2 PHE A 16 7.295 -8.240 -7.705 1.00 1.55 H new ATOM 0 HE1 PHE A 16 7.725 -11.628 -11.316 1.00 2.42 H new ATOM 0 HE2 PHE A 16 8.269 -7.599 -9.899 1.00 1.66 H new ATOM 0 HZ PHE A 16 8.485 -9.292 -11.706 1.00 1.49 H new ATOM 272 N THR A 17 9.385 -10.229 -6.249 1.00 0.67 N ATOM 273 CA THR A 17 10.529 -9.442 -5.816 1.00 0.62 C ATOM 274 C THR A 17 10.414 -8.036 -6.393 1.00 0.60 C ATOM 275 O THR A 17 10.098 -7.877 -7.567 1.00 0.92 O ATOM 276 CB THR A 17 11.831 -10.129 -6.253 1.00 0.66 C ATOM 277 OG1 THR A 17 11.784 -11.489 -5.872 1.00 0.70 O ATOM 278 CG2 THR A 17 13.040 -9.484 -5.569 1.00 0.68 C ATOM 0 H THR A 17 9.348 -10.350 -7.261 1.00 0.67 H new ATOM 0 HA THR A 17 10.545 -9.367 -4.729 1.00 0.62 H new ATOM 0 HB THR A 17 11.930 -10.028 -7.334 1.00 0.66 H new ATOM 0 HG1 THR A 17 12.611 -11.935 -6.149 1.00 0.70 H new ATOM 0 HG21 THR A 17 13.952 -9.986 -5.893 1.00 0.68 H new ATOM 0 HG22 THR A 17 13.091 -8.429 -5.839 1.00 0.68 H new ATOM 0 HG23 THR A 17 12.939 -9.577 -4.488 1.00 0.68 H new ATOM 286 N PHE A 18 10.679 -7.022 -5.569 1.00 0.53 N ATOM 287 CA PHE A 18 10.560 -5.619 -5.931 1.00 0.54 C ATOM 288 C PHE A 18 11.810 -4.899 -5.441 1.00 0.56 C ATOM 289 O PHE A 18 12.577 -5.458 -4.652 1.00 0.58 O ATOM 290 CB PHE A 18 9.326 -5.004 -5.259 1.00 0.45 C ATOM 291 CG PHE A 18 8.066 -5.852 -5.273 1.00 0.46 C ATOM 292 CD1 PHE A 18 7.874 -6.843 -4.290 1.00 1.52 C ATOM 293 CD2 PHE A 18 7.072 -5.635 -6.246 1.00 1.62 C ATOM 294 CE1 PHE A 18 6.695 -7.609 -4.278 1.00 1.46 C ATOM 295 CE2 PHE A 18 5.877 -6.375 -6.210 1.00 1.71 C ATOM 296 CZ PHE A 18 5.687 -7.358 -5.224 1.00 0.60 C ATOM 0 H PHE A 18 10.990 -7.163 -4.608 1.00 0.53 H new ATOM 0 HA PHE A 18 10.455 -5.521 -7.012 1.00 0.54 H new ATOM 0 HB2 PHE A 18 9.576 -4.778 -4.222 1.00 0.45 H new ATOM 0 HB3 PHE A 18 9.106 -4.055 -5.748 1.00 0.45 H new ATOM 0 HD1 PHE A 18 8.635 -7.015 -3.543 1.00 1.52 H new ATOM 0 HD2 PHE A 18 7.228 -4.899 -7.021 1.00 1.62 H new ATOM 0 HE1 PHE A 18 6.564 -8.389 -3.543 1.00 1.46 H new ATOM 0 HE2 PHE A 18 5.104 -6.188 -6.941 1.00 1.71 H new ATOM 0 HZ PHE A 18 4.766 -7.921 -5.193 1.00 0.60 H new ATOM 306 N GLN A 19 11.984 -3.645 -5.865 1.00 0.61 N ATOM 307 CA GLN A 19 13.021 -2.771 -5.353 1.00 0.63 C ATOM 308 C GLN A 19 12.388 -1.489 -4.822 1.00 0.54 C ATOM 309 O GLN A 19 11.367 -1.030 -5.339 1.00 0.57 O ATOM 310 CB GLN A 19 14.082 -2.503 -6.427 1.00 0.90 C ATOM 311 CG GLN A 19 14.750 -3.821 -6.842 1.00 1.21 C ATOM 312 CD GLN A 19 15.931 -3.624 -7.780 1.00 1.72 C ATOM 313 OE1 GLN A 19 15.860 -3.968 -8.955 1.00 2.31 O ATOM 314 NE2 GLN A 19 17.048 -3.108 -7.277 1.00 2.22 N ATOM 0 H GLN A 19 11.399 -3.212 -6.580 1.00 0.61 H new ATOM 0 HA GLN A 19 13.536 -3.256 -4.524 1.00 0.63 H new ATOM 0 HB2 GLN A 19 13.622 -2.029 -7.294 1.00 0.90 H new ATOM 0 HB3 GLN A 19 14.832 -1.810 -6.045 1.00 0.90 H new ATOM 0 HG2 GLN A 19 15.087 -4.347 -5.949 1.00 1.21 H new ATOM 0 HG3 GLN A 19 14.011 -4.458 -7.327 1.00 1.21 H new ATOM 0 HE21 GLN A 19 17.084 -2.829 -6.297 1.00 2.22 H new ATOM 0 HE22 GLN A 19 17.869 -2.991 -7.871 1.00 2.22 H new ATOM 323 N ASN A 20 12.976 -0.954 -3.752 1.00 0.54 N ATOM 324 CA ASN A 20 12.532 0.263 -3.092 1.00 0.57 C ATOM 325 C ASN A 20 13.170 1.528 -3.667 1.00 0.65 C ATOM 326 O ASN A 20 14.018 1.472 -4.559 1.00 0.71 O ATOM 327 CB ASN A 20 12.600 0.106 -1.561 1.00 0.55 C ATOM 328 CG ASN A 20 13.968 0.365 -0.959 1.00 0.69 C ATOM 329 OD1 ASN A 20 14.905 0.728 -1.663 1.00 1.08 O ATOM 330 ND2 ASN A 20 14.091 0.188 0.350 1.00 0.65 N ATOM 0 H ASN A 20 13.797 -1.371 -3.312 1.00 0.54 H new ATOM 0 HA ASN A 20 11.477 0.417 -3.317 1.00 0.57 H new ATOM 0 HB2 ASN A 20 11.883 0.789 -1.107 1.00 0.55 H new ATOM 0 HB3 ASN A 20 12.288 -0.905 -1.298 1.00 0.55 H new ATOM 0 HD21 ASN A 20 14.989 0.355 0.805 1.00 0.65 H new ATOM 0 HD22 ASN A 20 13.288 -0.115 0.901 1.00 0.65 H new ATOM 337 N GLN A 21 12.770 2.688 -3.138 1.00 0.71 N ATOM 338 CA GLN A 21 13.193 4.010 -3.600 1.00 0.86 C ATOM 339 C GLN A 21 14.644 4.315 -3.202 1.00 0.84 C ATOM 340 O GLN A 21 15.135 5.434 -3.376 1.00 0.96 O ATOM 341 CB GLN A 21 12.223 5.068 -3.053 1.00 1.07 C ATOM 342 CG GLN A 21 12.309 5.169 -1.523 1.00 1.23 C ATOM 343 CD GLN A 21 11.405 6.241 -0.937 1.00 2.44 C ATOM 344 OE1 GLN A 21 10.735 6.978 -1.652 1.00 3.54 O ATOM 345 NE2 GLN A 21 11.388 6.333 0.388 1.00 3.23 N ATOM 0 H GLN A 21 12.122 2.732 -2.351 1.00 0.71 H new ATOM 0 HA GLN A 21 13.164 4.029 -4.689 1.00 0.86 H new ATOM 0 HB2 GLN A 21 12.451 6.037 -3.497 1.00 1.07 H new ATOM 0 HB3 GLN A 21 11.204 4.816 -3.346 1.00 1.07 H new ATOM 0 HG2 GLN A 21 12.047 4.205 -1.087 1.00 1.23 H new ATOM 0 HG3 GLN A 21 13.340 5.378 -1.237 1.00 1.23 H new ATOM 0 HE21 GLN A 21 11.959 5.702 0.950 1.00 3.23 H new ATOM 0 HE22 GLN A 21 10.804 7.034 0.843 1.00 3.23 H new ATOM 354 N ASP A 22 15.305 3.317 -2.624 1.00 0.88 N ATOM 355 CA ASP A 22 16.675 3.266 -2.188 1.00 0.85 C ATOM 356 C ASP A 22 17.363 2.094 -2.904 1.00 0.75 C ATOM 357 O ASP A 22 18.389 1.590 -2.456 1.00 1.02 O ATOM 358 CB ASP A 22 16.619 3.223 -0.658 1.00 1.10 C ATOM 359 CG ASP A 22 16.430 4.634 -0.126 1.00 2.50 C ATOM 360 OD1 ASP A 22 17.395 5.425 -0.213 1.00 3.29 O ATOM 361 OD2 ASP A 22 15.280 5.013 0.177 1.00 3.66 O ATOM 0 H ASP A 22 14.832 2.434 -2.434 1.00 0.88 H new ATOM 0 HA ASP A 22 17.291 4.126 -2.450 1.00 0.85 H new ATOM 0 HB2 ASP A 22 15.799 2.585 -0.330 1.00 1.10 H new ATOM 0 HB3 ASP A 22 17.538 2.791 -0.260 1.00 1.10 H new ATOM 366 N GLY A 23 16.802 1.685 -4.055 1.00 0.76 N ATOM 367 CA GLY A 23 17.336 0.664 -4.946 1.00 0.88 C ATOM 368 C GLY A 23 17.256 -0.734 -4.339 1.00 0.85 C ATOM 369 O GLY A 23 17.716 -1.708 -4.937 1.00 1.21 O ATOM 0 H GLY A 23 15.926 2.080 -4.396 1.00 0.76 H new ATOM 0 HA2 GLY A 23 16.785 0.681 -5.886 1.00 0.88 H new ATOM 0 HA3 GLY A 23 18.375 0.897 -5.181 1.00 0.88 H new ATOM 373 N LYS A 24 16.693 -0.847 -3.139 1.00 0.67 N ATOM 374 CA LYS A 24 16.964 -1.952 -2.257 1.00 0.72 C ATOM 375 C LYS A 24 15.959 -3.056 -2.560 1.00 0.66 C ATOM 376 O LYS A 24 14.755 -2.813 -2.561 1.00 0.62 O ATOM 377 CB LYS A 24 16.880 -1.450 -0.807 1.00 0.81 C ATOM 378 CG LYS A 24 17.819 -2.156 0.169 1.00 0.93 C ATOM 379 CD LYS A 24 17.590 -3.666 0.020 1.00 1.60 C ATOM 380 CE LYS A 24 18.040 -4.610 1.129 1.00 2.10 C ATOM 381 NZ LYS A 24 17.702 -5.995 0.727 1.00 3.25 N ATOM 0 H LYS A 24 16.035 -0.166 -2.760 1.00 0.67 H new ATOM 0 HA LYS A 24 17.964 -2.361 -2.403 1.00 0.72 H new ATOM 0 HB2 LYS A 24 17.100 -0.382 -0.793 1.00 0.81 H new ATOM 0 HB3 LYS A 24 15.855 -1.569 -0.455 1.00 0.81 H new ATOM 0 HG2 LYS A 24 18.857 -1.903 -0.047 1.00 0.93 H new ATOM 0 HG3 LYS A 24 17.619 -1.837 1.192 1.00 0.93 H new ATOM 0 HD2 LYS A 24 16.521 -3.821 -0.126 1.00 1.60 H new ATOM 0 HD3 LYS A 24 18.086 -3.982 -0.898 1.00 1.60 H new ATOM 0 HE2 LYS A 24 19.113 -4.515 1.297 1.00 2.10 H new ATOM 0 HE3 LYS A 24 17.547 -4.356 2.067 1.00 2.10 H new ATOM 0 HZ1 LYS A 24 17.971 -6.652 1.487 1.00 3.25 H new ATOM 0 HZ2 LYS A 24 16.679 -6.066 0.553 1.00 3.25 H new ATOM 0 HZ3 LYS A 24 18.219 -6.240 -0.142 1.00 3.25 H new ATOM 395 N ASN A 25 16.461 -4.270 -2.776 1.00 0.73 N ATOM 396 CA ASN A 25 15.654 -5.429 -3.108 1.00 0.78 C ATOM 397 C ASN A 25 14.915 -5.955 -1.879 1.00 0.75 C ATOM 398 O ASN A 25 15.494 -6.084 -0.793 1.00 0.85 O ATOM 399 CB ASN A 25 16.522 -6.541 -3.717 1.00 0.95 C ATOM 400 CG ASN A 25 17.506 -7.171 -2.724 1.00 2.81 C ATOM 401 OD1 ASN A 25 18.099 -6.492 -1.883 1.00 3.81 O ATOM 402 ND2 ASN A 25 17.691 -8.485 -2.800 1.00 3.67 N ATOM 0 H ASN A 25 17.459 -4.473 -2.723 1.00 0.73 H new ATOM 0 HA ASN A 25 14.915 -5.117 -3.846 1.00 0.78 H new ATOM 0 HB2 ASN A 25 15.872 -7.320 -4.114 1.00 0.95 H new ATOM 0 HB3 ASN A 25 17.081 -6.133 -4.559 1.00 0.95 H new ATOM 0 HD21 ASN A 25 18.332 -8.948 -2.156 1.00 3.67 H new ATOM 0 HD22 ASN A 25 17.192 -9.031 -3.502 1.00 3.67 H new ATOM 409 N VAL A 26 13.635 -6.275 -2.071 1.00 0.65 N ATOM 410 CA VAL A 26 12.788 -6.947 -1.107 1.00 0.62 C ATOM 411 C VAL A 26 12.006 -8.014 -1.869 1.00 0.69 C ATOM 412 O VAL A 26 11.704 -7.819 -3.047 1.00 0.97 O ATOM 413 CB VAL A 26 11.845 -5.930 -0.440 1.00 0.63 C ATOM 414 CG1 VAL A 26 12.622 -4.869 0.352 1.00 0.88 C ATOM 415 CG2 VAL A 26 10.910 -5.237 -1.437 1.00 1.33 C ATOM 0 H VAL A 26 13.148 -6.061 -2.941 1.00 0.65 H new ATOM 0 HA VAL A 26 13.375 -7.409 -0.313 1.00 0.62 H new ATOM 0 HB VAL A 26 11.230 -6.513 0.246 1.00 0.63 H new ATOM 0 HG11 VAL A 26 11.921 -4.170 0.808 1.00 0.88 H new ATOM 0 HG12 VAL A 26 13.209 -5.354 1.132 1.00 0.88 H new ATOM 0 HG13 VAL A 26 13.288 -4.329 -0.320 1.00 0.88 H new ATOM 0 HG21 VAL A 26 10.270 -4.532 -0.906 1.00 1.33 H new ATOM 0 HG22 VAL A 26 11.502 -4.702 -2.179 1.00 1.33 H new ATOM 0 HG23 VAL A 26 10.292 -5.984 -1.936 1.00 1.33 H new ATOM 425 N SER A 27 11.667 -9.124 -1.216 1.00 0.71 N ATOM 426 CA SER A 27 10.695 -10.078 -1.726 1.00 0.70 C ATOM 427 C SER A 27 9.574 -10.180 -0.708 1.00 0.66 C ATOM 428 O SER A 27 9.766 -9.839 0.460 1.00 0.67 O ATOM 429 CB SER A 27 11.367 -11.437 -1.971 1.00 0.73 C ATOM 430 OG SER A 27 10.407 -12.461 -2.139 1.00 2.35 O ATOM 0 H SER A 27 12.064 -9.385 -0.313 1.00 0.71 H new ATOM 0 HA SER A 27 10.288 -9.749 -2.682 1.00 0.70 H new ATOM 0 HB2 SER A 27 11.999 -11.378 -2.857 1.00 0.73 H new ATOM 0 HB3 SER A 27 12.018 -11.680 -1.131 1.00 0.73 H new ATOM 0 HG SER A 27 10.815 -13.218 -2.609 1.00 2.35 H new ATOM 436 N LEU A 28 8.418 -10.704 -1.120 1.00 0.65 N ATOM 437 CA LEU A 28 7.439 -11.160 -0.153 1.00 0.68 C ATOM 438 C LEU A 28 8.085 -12.132 0.832 1.00 0.67 C ATOM 439 O LEU A 28 7.738 -12.113 2.006 1.00 0.77 O ATOM 440 CB LEU A 28 6.250 -11.814 -0.856 1.00 0.70 C ATOM 441 CG LEU A 28 4.932 -11.196 -0.382 1.00 0.60 C ATOM 442 CD1 LEU A 28 4.696 -9.863 -1.104 1.00 0.96 C ATOM 443 CD2 LEU A 28 3.795 -12.169 -0.687 1.00 0.98 C ATOM 0 H LEU A 28 8.148 -10.818 -2.097 1.00 0.65 H new ATOM 0 HA LEU A 28 7.070 -10.297 0.402 1.00 0.68 H new ATOM 0 HB2 LEU A 28 6.347 -11.692 -1.935 1.00 0.70 H new ATOM 0 HB3 LEU A 28 6.247 -12.885 -0.656 1.00 0.70 H new ATOM 0 HG LEU A 28 4.973 -11.008 0.691 1.00 0.60 H new ATOM 0 HD11 LEU A 28 3.757 -9.426 -0.764 1.00 0.96 H new ATOM 0 HD12 LEU A 28 5.515 -9.179 -0.883 1.00 0.96 H new ATOM 0 HD13 LEU A 28 4.648 -10.035 -2.179 1.00 0.96 H new ATOM 0 HD21 LEU A 28 2.850 -11.740 -0.354 1.00 0.98 H new ATOM 0 HD22 LEU A 28 3.752 -12.353 -1.760 1.00 0.98 H new ATOM 0 HD23 LEU A 28 3.971 -13.109 -0.165 1.00 0.98 H new ATOM 455 N GLU A 29 9.051 -12.944 0.391 1.00 0.63 N ATOM 456 CA GLU A 29 9.819 -13.821 1.263 1.00 0.68 C ATOM 457 C GLU A 29 10.426 -13.050 2.441 1.00 0.63 C ATOM 458 O GLU A 29 10.526 -13.574 3.546 1.00 0.69 O ATOM 459 CB GLU A 29 10.908 -14.499 0.446 1.00 0.76 C ATOM 460 CG GLU A 29 10.366 -15.374 -0.693 1.00 0.97 C ATOM 461 CD GLU A 29 11.464 -15.649 -1.709 1.00 2.34 C ATOM 462 OE1 GLU A 29 11.829 -14.667 -2.393 1.00 3.21 O ATOM 463 OE2 GLU A 29 11.925 -16.808 -1.764 1.00 3.41 O ATOM 0 H GLU A 29 9.320 -13.007 -0.591 1.00 0.63 H new ATOM 0 HA GLU A 29 9.152 -14.574 1.683 1.00 0.68 H new ATOM 0 HB2 GLU A 29 11.564 -13.736 0.027 1.00 0.76 H new ATOM 0 HB3 GLU A 29 11.517 -15.115 1.108 1.00 0.76 H new ATOM 0 HG2 GLU A 29 9.988 -16.314 -0.291 1.00 0.97 H new ATOM 0 HG3 GLU A 29 9.528 -14.874 -1.178 1.00 0.97 H new ATOM 470 N SER A 30 10.819 -11.794 2.211 1.00 0.60 N ATOM 471 CA SER A 30 11.383 -10.914 3.220 1.00 0.63 C ATOM 472 C SER A 30 10.360 -10.451 4.274 1.00 0.60 C ATOM 473 O SER A 30 10.737 -9.722 5.192 1.00 0.67 O ATOM 474 CB SER A 30 12.054 -9.733 2.530 1.00 0.70 C ATOM 475 OG SER A 30 12.649 -10.099 1.296 1.00 1.40 O ATOM 0 H SER A 30 10.749 -11.357 1.292 1.00 0.60 H new ATOM 0 HA SER A 30 12.124 -11.483 3.781 1.00 0.63 H new ATOM 0 HB2 SER A 30 11.317 -8.949 2.357 1.00 0.70 H new ATOM 0 HB3 SER A 30 12.815 -9.315 3.188 1.00 0.70 H new ATOM 0 HG SER A 30 13.424 -9.524 1.123 1.00 1.40 H new ATOM 481 N LEU A 31 9.072 -10.759 4.078 1.00 0.58 N ATOM 482 CA LEU A 31 7.945 -10.323 4.899 1.00 0.58 C ATOM 483 C LEU A 31 7.083 -11.503 5.384 1.00 0.62 C ATOM 484 O LEU A 31 6.494 -11.441 6.462 1.00 0.73 O ATOM 485 CB LEU A 31 7.092 -9.364 4.058 1.00 0.59 C ATOM 486 CG LEU A 31 7.875 -8.152 3.528 1.00 0.57 C ATOM 487 CD1 LEU A 31 7.081 -7.456 2.421 1.00 0.59 C ATOM 488 CD2 LEU A 31 8.164 -7.170 4.665 1.00 0.57 C ATOM 0 H LEU A 31 8.777 -11.350 3.301 1.00 0.58 H new ATOM 0 HA LEU A 31 8.331 -9.830 5.791 1.00 0.58 H new ATOM 0 HB2 LEU A 31 6.669 -9.910 3.215 1.00 0.59 H new ATOM 0 HB3 LEU A 31 6.255 -9.011 4.661 1.00 0.59 H new ATOM 0 HG LEU A 31 8.823 -8.500 3.117 1.00 0.57 H new ATOM 0 HD11 LEU A 31 7.645 -6.599 2.053 1.00 0.59 H new ATOM 0 HD12 LEU A 31 6.908 -8.155 1.603 1.00 0.59 H new ATOM 0 HD13 LEU A 31 6.124 -7.117 2.818 1.00 0.59 H new ATOM 0 HD21 LEU A 31 8.719 -6.316 4.276 1.00 0.57 H new ATOM 0 HD22 LEU A 31 7.224 -6.826 5.096 1.00 0.57 H new ATOM 0 HD23 LEU A 31 8.755 -7.667 5.434 1.00 0.57 H new ATOM 500 N LYS A 32 6.965 -12.564 4.578 1.00 0.65 N ATOM 501 CA LYS A 32 6.174 -13.745 4.881 1.00 0.69 C ATOM 502 C LYS A 32 6.543 -14.282 6.264 1.00 0.71 C ATOM 503 O LYS A 32 7.722 -14.365 6.602 1.00 0.92 O ATOM 504 CB LYS A 32 6.340 -14.798 3.800 1.00 0.88 C ATOM 505 CG LYS A 32 5.111 -15.723 3.831 1.00 1.06 C ATOM 506 CD LYS A 32 5.337 -16.735 2.728 1.00 1.77 C ATOM 507 CE LYS A 32 4.352 -17.916 2.737 1.00 1.95 C ATOM 508 NZ LYS A 32 3.093 -17.627 2.020 1.00 2.92 N ATOM 0 H LYS A 32 7.433 -12.619 3.673 1.00 0.65 H new ATOM 0 HA LYS A 32 5.119 -13.471 4.900 1.00 0.69 H new ATOM 0 HB2 LYS A 32 6.435 -14.326 2.822 1.00 0.88 H new ATOM 0 HB3 LYS A 32 7.251 -15.372 3.967 1.00 0.88 H new ATOM 0 HG2 LYS A 32 5.014 -16.214 4.799 1.00 1.06 H new ATOM 0 HG3 LYS A 32 4.192 -15.160 3.665 1.00 1.06 H new ATOM 0 HD2 LYS A 32 5.268 -16.227 1.766 1.00 1.77 H new ATOM 0 HD3 LYS A 32 6.352 -17.124 2.811 1.00 1.77 H new ATOM 0 HE2 LYS A 32 4.831 -18.784 2.283 1.00 1.95 H new ATOM 0 HE3 LYS A 32 4.123 -18.182 3.769 1.00 1.95 H new ATOM 0 HZ1 LYS A 32 2.432 -18.419 2.147 1.00 2.92 H new ATOM 0 HZ2 LYS A 32 2.668 -16.757 2.401 1.00 2.92 H new ATOM 0 HZ3 LYS A 32 3.292 -17.501 1.007 1.00 2.92 H new ATOM 522 N GLY A 33 5.535 -14.623 7.062 1.00 0.65 N ATOM 523 CA GLY A 33 5.704 -14.984 8.457 1.00 0.69 C ATOM 524 C GLY A 33 5.262 -13.840 9.364 1.00 0.62 C ATOM 525 O GLY A 33 4.705 -14.108 10.426 1.00 0.63 O ATOM 0 H GLY A 33 4.565 -14.655 6.748 1.00 0.65 H new ATOM 0 HA2 GLY A 33 5.122 -15.878 8.680 1.00 0.69 H new ATOM 0 HA3 GLY A 33 6.749 -15.227 8.652 1.00 0.69 H new ATOM 529 N GLU A 34 5.483 -12.587 8.949 1.00 0.58 N ATOM 530 CA GLU A 34 5.169 -11.416 9.756 1.00 0.57 C ATOM 531 C GLU A 34 3.865 -10.741 9.330 1.00 0.48 C ATOM 532 O GLU A 34 3.336 -10.996 8.249 1.00 0.53 O ATOM 533 CB GLU A 34 6.352 -10.432 9.717 1.00 0.66 C ATOM 534 CG GLU A 34 7.242 -10.600 10.951 1.00 1.15 C ATOM 535 CD GLU A 34 6.622 -9.931 12.181 1.00 2.64 C ATOM 536 OE1 GLU A 34 5.385 -10.045 12.328 1.00 3.76 O ATOM 537 OE2 GLU A 34 7.391 -9.266 12.899 1.00 3.44 O ATOM 0 H GLU A 34 5.886 -12.363 8.039 1.00 0.58 H new ATOM 0 HA GLU A 34 5.012 -11.747 10.783 1.00 0.57 H new ATOM 0 HB2 GLU A 34 6.940 -10.599 8.814 1.00 0.66 H new ATOM 0 HB3 GLU A 34 5.978 -9.409 9.670 1.00 0.66 H new ATOM 0 HG2 GLU A 34 7.395 -11.661 11.150 1.00 1.15 H new ATOM 0 HG3 GLU A 34 8.223 -10.168 10.756 1.00 1.15 H new ATOM 544 N VAL A 35 3.352 -9.865 10.198 1.00 0.39 N ATOM 545 CA VAL A 35 2.145 -9.076 9.947 1.00 0.35 C ATOM 546 C VAL A 35 2.533 -7.678 9.480 1.00 0.35 C ATOM 547 O VAL A 35 2.796 -6.793 10.289 1.00 0.54 O ATOM 548 CB VAL A 35 1.230 -9.092 11.182 1.00 0.39 C ATOM 549 CG1 VAL A 35 1.871 -8.641 12.505 1.00 0.42 C ATOM 550 CG2 VAL A 35 -0.055 -8.300 10.920 1.00 0.45 C ATOM 0 H VAL A 35 3.771 -9.682 11.110 1.00 0.39 H new ATOM 0 HA VAL A 35 1.561 -9.520 9.140 1.00 0.35 H new ATOM 0 HB VAL A 35 1.007 -10.149 11.329 1.00 0.39 H new ATOM 0 HG11 VAL A 35 1.132 -8.694 13.304 1.00 0.42 H new ATOM 0 HG12 VAL A 35 2.711 -9.294 12.744 1.00 0.42 H new ATOM 0 HG13 VAL A 35 2.226 -7.615 12.406 1.00 0.42 H new ATOM 0 HG21 VAL A 35 -0.686 -8.326 11.808 1.00 0.45 H new ATOM 0 HG22 VAL A 35 0.197 -7.266 10.684 1.00 0.45 H new ATOM 0 HG23 VAL A 35 -0.591 -8.744 10.081 1.00 0.45 H new ATOM 560 N TRP A 36 2.592 -7.476 8.166 1.00 0.46 N ATOM 561 CA TRP A 36 3.190 -6.288 7.586 1.00 0.37 C ATOM 562 C TRP A 36 2.120 -5.428 6.911 1.00 0.30 C ATOM 563 O TRP A 36 1.211 -5.953 6.269 1.00 0.33 O ATOM 564 CB TRP A 36 4.311 -6.715 6.638 1.00 0.41 C ATOM 565 CG TRP A 36 3.922 -7.569 5.479 1.00 0.39 C ATOM 566 CD1 TRP A 36 3.751 -8.909 5.460 1.00 0.42 C ATOM 567 CD2 TRP A 36 3.682 -7.116 4.127 1.00 0.37 C ATOM 568 NE1 TRP A 36 3.463 -9.315 4.173 1.00 0.40 N ATOM 569 CE2 TRP A 36 3.429 -8.244 3.298 1.00 0.39 C ATOM 570 CE3 TRP A 36 3.662 -5.846 3.530 1.00 0.37 C ATOM 571 CZ2 TRP A 36 3.193 -8.111 1.920 1.00 0.43 C ATOM 572 CZ3 TRP A 36 3.360 -5.697 2.167 1.00 0.40 C ATOM 573 CH2 TRP A 36 3.170 -6.823 1.357 1.00 0.43 C ATOM 0 H TRP A 36 2.225 -8.134 7.478 1.00 0.46 H new ATOM 0 HA TRP A 36 3.633 -5.661 8.360 1.00 0.37 H new ATOM 0 HB2 TRP A 36 4.790 -5.816 6.252 1.00 0.41 H new ATOM 0 HB3 TRP A 36 5.061 -7.252 7.219 1.00 0.41 H new ATOM 0 HD1 TRP A 36 3.828 -9.561 6.318 1.00 0.42 H new ATOM 0 HE1 TRP A 36 3.296 -10.284 3.901 1.00 0.40 H new ATOM 0 HE3 TRP A 36 3.882 -4.973 4.126 1.00 0.37 H new ATOM 0 HZ2 TRP A 36 3.032 -8.983 1.304 1.00 0.43 H new ATOM 0 HZ3 TRP A 36 3.274 -4.708 1.741 1.00 0.40 H new ATOM 0 HH2 TRP A 36 3.005 -6.702 0.297 1.00 0.43 H new ATOM 584 N LEU A 37 2.186 -4.103 7.085 1.00 0.36 N ATOM 585 CA LEU A 37 1.180 -3.217 6.525 1.00 0.35 C ATOM 586 C LEU A 37 1.573 -2.861 5.090 1.00 0.35 C ATOM 587 O LEU A 37 2.759 -2.776 4.775 1.00 0.37 O ATOM 588 CB LEU A 37 0.871 -1.986 7.398 1.00 0.43 C ATOM 589 CG LEU A 37 1.471 -1.941 8.812 1.00 0.71 C ATOM 590 CD1 LEU A 37 1.079 -0.612 9.471 1.00 0.91 C ATOM 591 CD2 LEU A 37 0.955 -3.065 9.726 1.00 1.15 C ATOM 0 H LEU A 37 2.924 -3.631 7.607 1.00 0.36 H new ATOM 0 HA LEU A 37 0.231 -3.752 6.507 1.00 0.35 H new ATOM 0 HB2 LEU A 37 1.212 -1.101 6.861 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -0.212 -1.905 7.491 1.00 0.43 H new ATOM 0 HG LEU A 37 2.549 -2.057 8.698 1.00 0.71 H new ATOM 0 HD11 LEU A 37 1.499 -0.567 10.476 1.00 0.91 H new ATOM 0 HD12 LEU A 37 1.467 0.216 8.878 1.00 0.91 H new ATOM 0 HD13 LEU A 37 -0.007 -0.540 9.528 1.00 0.91 H new ATOM 0 HD21 LEU A 37 1.418 -2.976 10.709 1.00 1.15 H new ATOM 0 HD22 LEU A 37 -0.127 -2.985 9.826 1.00 1.15 H new ATOM 0 HD23 LEU A 37 1.209 -4.032 9.292 1.00 1.15 H new ATOM 603 N ALA A 38 0.589 -2.684 4.216 1.00 0.43 N ATOM 604 CA ALA A 38 0.751 -2.294 2.830 1.00 0.45 C ATOM 605 C ALA A 38 -0.145 -1.090 2.588 1.00 0.56 C ATOM 606 O ALA A 38 -1.313 -1.100 2.977 1.00 0.89 O ATOM 607 CB ALA A 38 0.357 -3.457 1.925 1.00 0.50 C ATOM 0 H ALA A 38 -0.389 -2.816 4.472 1.00 0.43 H new ATOM 0 HA ALA A 38 1.787 -2.035 2.610 1.00 0.45 H new ATOM 0 HB1 ALA A 38 0.479 -3.164 0.882 1.00 0.50 H new ATOM 0 HB2 ALA A 38 0.994 -4.315 2.137 1.00 0.50 H new ATOM 0 HB3 ALA A 38 -0.684 -3.724 2.108 1.00 0.50 H new ATOM 613 N ASP A 39 0.414 -0.071 1.937 1.00 0.53 N ATOM 614 CA ASP A 39 -0.262 1.188 1.675 1.00 0.69 C ATOM 615 C ASP A 39 0.154 1.685 0.292 1.00 0.81 C ATOM 616 O ASP A 39 1.109 2.446 0.141 1.00 1.87 O ATOM 617 CB ASP A 39 0.089 2.185 2.779 1.00 0.98 C ATOM 618 CG ASP A 39 -0.571 1.829 4.101 1.00 1.83 C ATOM 619 OD1 ASP A 39 -1.698 2.323 4.303 1.00 2.97 O ATOM 620 OD2 ASP A 39 0.064 1.108 4.902 1.00 2.97 O ATOM 0 H ASP A 39 1.366 -0.103 1.573 1.00 0.53 H new ATOM 0 HA ASP A 39 -1.345 1.064 1.678 1.00 0.69 H new ATOM 0 HB2 ASP A 39 1.171 2.214 2.910 1.00 0.98 H new ATOM 0 HB3 ASP A 39 -0.222 3.185 2.476 1.00 0.98 H new ATOM 625 N PHE A 40 -0.553 1.215 -0.735 1.00 0.92 N ATOM 626 CA PHE A 40 -0.304 1.567 -2.124 1.00 0.96 C ATOM 627 C PHE A 40 -0.921 2.944 -2.386 1.00 0.96 C ATOM 628 O PHE A 40 -2.115 3.125 -2.169 1.00 1.15 O ATOM 629 CB PHE A 40 -0.867 0.468 -3.051 1.00 1.13 C ATOM 630 CG PHE A 40 -2.385 0.317 -3.065 1.00 0.94 C ATOM 631 CD1 PHE A 40 -3.061 -0.248 -1.966 1.00 1.92 C ATOM 632 CD2 PHE A 40 -3.138 0.911 -4.098 1.00 2.08 C ATOM 633 CE1 PHE A 40 -4.446 -0.063 -1.820 1.00 1.97 C ATOM 634 CE2 PHE A 40 -4.530 1.055 -3.974 1.00 2.27 C ATOM 635 CZ PHE A 40 -5.179 0.608 -2.812 1.00 1.40 C ATOM 0 H PHE A 40 -1.330 0.565 -0.617 1.00 0.92 H new ATOM 0 HA PHE A 40 0.764 1.629 -2.333 1.00 0.96 H new ATOM 0 HB2 PHE A 40 -0.533 0.672 -4.068 1.00 1.13 H new ATOM 0 HB3 PHE A 40 -0.430 -0.486 -2.757 1.00 1.13 H new ATOM 0 HD1 PHE A 40 -2.514 -0.824 -1.235 1.00 1.92 H new ATOM 0 HD2 PHE A 40 -2.641 1.258 -4.992 1.00 2.08 H new ATOM 0 HE1 PHE A 40 -4.949 -0.438 -0.941 1.00 1.97 H new ATOM 0 HE2 PHE A 40 -5.100 1.509 -4.771 1.00 2.27 H new ATOM 0 HZ PHE A 40 -6.237 0.779 -2.682 1.00 1.40 H new ATOM 645 N ILE A 41 -0.128 3.928 -2.827 1.00 0.83 N ATOM 646 CA ILE A 41 -0.635 5.262 -3.136 1.00 0.89 C ATOM 647 C ILE A 41 0.071 5.852 -4.357 1.00 0.76 C ATOM 648 O ILE A 41 1.118 5.364 -4.789 1.00 0.72 O ATOM 649 CB ILE A 41 -0.581 6.208 -1.912 1.00 1.05 C ATOM 650 CG1 ILE A 41 0.779 6.299 -1.197 1.00 1.20 C ATOM 651 CG2 ILE A 41 -1.641 5.824 -0.870 1.00 1.36 C ATOM 652 CD1 ILE A 41 1.887 6.945 -2.032 1.00 1.37 C ATOM 0 H ILE A 41 0.875 3.819 -2.977 1.00 0.83 H new ATOM 0 HA ILE A 41 -1.690 5.158 -3.391 1.00 0.89 H new ATOM 0 HB ILE A 41 -0.775 7.190 -2.344 1.00 1.05 H new ATOM 0 HG12 ILE A 41 0.655 6.869 -0.276 1.00 1.20 H new ATOM 0 HG13 ILE A 41 1.094 5.295 -0.911 1.00 1.20 H new ATOM 0 HG21 ILE A 41 -1.580 6.505 -0.021 1.00 1.36 H new ATOM 0 HG22 ILE A 41 -2.632 5.890 -1.318 1.00 1.36 H new ATOM 0 HG23 ILE A 41 -1.464 4.804 -0.530 1.00 1.36 H new ATOM 0 HD11 ILE A 41 2.811 6.970 -1.454 1.00 1.37 H new ATOM 0 HD12 ILE A 41 2.043 6.364 -2.941 1.00 1.37 H new ATOM 0 HD13 ILE A 41 1.597 7.962 -2.296 1.00 1.37 H new ATOM 664 N PHE A 42 -0.538 6.903 -4.911 1.00 0.80 N ATOM 665 CA PHE A 42 0.009 7.793 -5.917 1.00 0.73 C ATOM 666 C PHE A 42 0.025 9.174 -5.273 1.00 0.83 C ATOM 667 O PHE A 42 -0.953 9.558 -4.639 1.00 1.32 O ATOM 668 CB PHE A 42 -0.871 7.796 -7.180 1.00 0.86 C ATOM 669 CG PHE A 42 -2.369 7.893 -6.934 1.00 0.93 C ATOM 670 CD1 PHE A 42 -3.115 6.735 -6.643 1.00 2.15 C ATOM 671 CD2 PHE A 42 -3.004 9.147 -6.919 1.00 1.52 C ATOM 672 CE1 PHE A 42 -4.489 6.826 -6.357 1.00 2.16 C ATOM 673 CE2 PHE A 42 -4.369 9.242 -6.598 1.00 1.62 C ATOM 674 CZ PHE A 42 -5.120 8.081 -6.337 1.00 1.10 C ATOM 0 H PHE A 42 -1.488 7.165 -4.646 1.00 0.80 H new ATOM 0 HA PHE A 42 1.005 7.480 -6.231 1.00 0.73 H new ATOM 0 HB2 PHE A 42 -0.569 8.633 -7.810 1.00 0.86 H new ATOM 0 HB3 PHE A 42 -0.671 6.884 -7.743 1.00 0.86 H new ATOM 0 HD1 PHE A 42 -2.629 5.771 -6.639 1.00 2.15 H new ATOM 0 HD2 PHE A 42 -2.442 10.039 -7.154 1.00 1.52 H new ATOM 0 HE1 PHE A 42 -5.059 5.932 -6.153 1.00 2.16 H new ATOM 0 HE2 PHE A 42 -4.844 10.211 -6.551 1.00 1.62 H new ATOM 0 HZ PHE A 42 -6.176 8.154 -6.122 1.00 1.10 H new ATOM 684 N THR A 43 1.126 9.904 -5.412 1.00 0.85 N ATOM 685 CA THR A 43 1.270 11.275 -4.952 1.00 0.99 C ATOM 686 C THR A 43 0.936 12.212 -6.114 1.00 1.13 C ATOM 687 O THR A 43 0.291 13.242 -5.930 1.00 2.09 O ATOM 688 CB THR A 43 2.682 11.489 -4.383 1.00 1.08 C ATOM 689 OG1 THR A 43 3.682 11.537 -5.383 1.00 1.68 O ATOM 690 CG2 THR A 43 3.037 10.373 -3.396 1.00 2.06 C ATOM 0 H THR A 43 1.968 9.544 -5.862 1.00 0.85 H new ATOM 0 HA THR A 43 0.578 11.496 -4.139 1.00 0.99 H new ATOM 0 HB THR A 43 2.659 12.456 -3.881 1.00 1.08 H new ATOM 0 HG1 THR A 43 3.362 11.078 -6.188 1.00 1.68 H new ATOM 0 HG21 THR A 43 4.040 10.540 -3.003 1.00 2.06 H new ATOM 0 HG22 THR A 43 2.321 10.372 -2.574 1.00 2.06 H new ATOM 0 HG23 THR A 43 3.004 9.411 -3.907 1.00 2.06 H new ATOM 771 N CYS A 49 -3.902 17.527 -0.803 1.00 1.59 N ATOM 772 CA CYS A 49 -4.832 18.139 0.139 1.00 1.55 C ATOM 773 C CYS A 49 -5.417 17.087 1.091 1.00 1.41 C ATOM 774 O CYS A 49 -5.254 17.237 2.302 1.00 1.42 O ATOM 775 CB CYS A 49 -5.926 18.929 -0.594 1.00 1.70 C ATOM 776 SG CYS A 49 -7.206 19.385 0.599 1.00 1.75 S ATOM 0 HA CYS A 49 -4.280 18.855 0.748 1.00 1.55 H new ATOM 0 HB2 CYS A 49 -5.503 19.822 -1.055 1.00 1.70 H new ATOM 0 HB3 CYS A 49 -6.354 18.328 -1.396 1.00 1.70 H new ATOM 0 HG CYS A 49 -8.141 20.057 -0.004 1.00 1.75 H new ATOM 782 N PRO A 50 -6.080 16.018 0.606 1.00 1.37 N ATOM 783 CA PRO A 50 -6.628 15.001 1.494 1.00 1.33 C ATOM 784 C PRO A 50 -5.532 14.299 2.313 1.00 1.15 C ATOM 785 O PRO A 50 -4.366 14.283 1.909 1.00 1.09 O ATOM 786 CB PRO A 50 -7.395 14.021 0.597 1.00 1.47 C ATOM 787 CG PRO A 50 -6.763 14.221 -0.779 1.00 1.50 C ATOM 788 CD PRO A 50 -6.441 15.713 -0.773 1.00 1.43 C ATOM 0 HA PRO A 50 -7.289 15.447 2.237 1.00 1.33 H new ATOM 0 HB2 PRO A 50 -7.286 12.993 0.942 1.00 1.47 H new ATOM 0 HB3 PRO A 50 -8.462 14.242 0.584 1.00 1.47 H new ATOM 0 HG2 PRO A 50 -5.868 13.612 -0.908 1.00 1.50 H new ATOM 0 HG3 PRO A 50 -7.448 13.956 -1.584 1.00 1.50 H new ATOM 0 HD2 PRO A 50 -5.622 15.942 -1.455 1.00 1.43 H new ATOM 0 HD3 PRO A 50 -7.299 16.303 -1.096 1.00 1.43 H new ATOM 796 N PRO A 51 -5.904 13.713 3.464 1.00 1.14 N ATOM 797 CA PRO A 51 -4.993 13.027 4.370 1.00 1.05 C ATOM 798 C PRO A 51 -4.495 11.721 3.746 1.00 1.02 C ATOM 799 O PRO A 51 -5.009 10.633 4.017 1.00 1.33 O ATOM 800 CB PRO A 51 -5.799 12.801 5.654 1.00 1.22 C ATOM 801 CG PRO A 51 -7.236 12.696 5.148 1.00 1.39 C ATOM 802 CD PRO A 51 -7.257 13.706 4.005 1.00 1.34 C ATOM 0 HA PRO A 51 -4.093 13.604 4.579 1.00 1.05 H new ATOM 0 HB2 PRO A 51 -5.487 11.894 6.171 1.00 1.22 H new ATOM 0 HB3 PRO A 51 -5.678 13.626 6.356 1.00 1.22 H new ATOM 0 HG2 PRO A 51 -7.473 11.689 4.804 1.00 1.39 H new ATOM 0 HG3 PRO A 51 -7.959 12.946 5.924 1.00 1.39 H new ATOM 0 HD2 PRO A 51 -7.982 13.421 3.243 1.00 1.34 H new ATOM 0 HD3 PRO A 51 -7.542 14.696 4.362 1.00 1.34 H new ATOM 810 N MET A 52 -3.473 11.838 2.898 1.00 0.84 N ATOM 811 CA MET A 52 -2.932 10.702 2.182 1.00 0.83 C ATOM 812 C MET A 52 -2.056 9.876 3.117 1.00 0.75 C ATOM 813 O MET A 52 -2.481 8.824 3.588 1.00 0.96 O ATOM 814 CB MET A 52 -2.215 11.170 0.911 1.00 0.89 C ATOM 815 CG MET A 52 -1.817 9.973 0.034 1.00 1.94 C ATOM 816 SD MET A 52 -1.023 10.369 -1.543 1.00 2.55 S ATOM 817 CE MET A 52 -2.354 11.244 -2.399 1.00 2.00 C ATOM 0 H MET A 52 -3.005 12.721 2.695 1.00 0.84 H new ATOM 0 HA MET A 52 -3.734 10.044 1.848 1.00 0.83 H new ATOM 0 HB2 MET A 52 -2.865 11.839 0.347 1.00 0.89 H new ATOM 0 HB3 MET A 52 -1.326 11.741 1.179 1.00 0.89 H new ATOM 0 HG2 MET A 52 -1.142 9.337 0.607 1.00 1.94 H new ATOM 0 HG3 MET A 52 -2.712 9.385 -0.171 1.00 1.94 H new ATOM 0 HE1 MET A 52 -2.057 11.441 -3.429 1.00 2.00 H new ATOM 0 HE2 MET A 52 -3.255 10.631 -2.392 1.00 2.00 H new ATOM 0 HE3 MET A 52 -2.553 12.188 -1.892 1.00 2.00 H new ATOM 827 N THR A 53 -0.845 10.350 3.419 1.00 0.62 N ATOM 828 CA THR A 53 0.103 9.583 4.209 1.00 0.57 C ATOM 829 C THR A 53 0.017 10.004 5.685 1.00 0.60 C ATOM 830 O THR A 53 0.879 9.663 6.488 1.00 1.02 O ATOM 831 CB THR A 53 1.461 9.695 3.493 1.00 0.72 C ATOM 832 OG1 THR A 53 1.290 9.162 2.194 1.00 1.19 O ATOM 833 CG2 THR A 53 2.638 8.972 4.137 1.00 0.97 C ATOM 0 H THR A 53 -0.503 11.265 3.124 1.00 0.62 H new ATOM 0 HA THR A 53 -0.109 8.516 4.268 1.00 0.57 H new ATOM 0 HB THR A 53 1.725 10.752 3.528 1.00 0.72 H new ATOM 0 HG1 THR A 53 2.137 9.217 1.704 1.00 1.19 H new ATOM 0 HG21 THR A 53 3.534 9.129 3.537 1.00 0.97 H new ATOM 0 HG22 THR A 53 2.801 9.364 5.141 1.00 0.97 H new ATOM 0 HG23 THR A 53 2.422 7.905 4.195 1.00 0.97 H new ATOM 841 N ALA A 54 -1.062 10.699 6.071 1.00 0.63 N ATOM 842 CA ALA A 54 -1.324 11.108 7.445 1.00 0.69 C ATOM 843 C ALA A 54 -1.547 9.877 8.321 1.00 0.65 C ATOM 844 O ALA A 54 -0.859 9.667 9.315 1.00 0.69 O ATOM 845 CB ALA A 54 -2.555 12.019 7.492 1.00 0.86 C ATOM 0 H ALA A 54 -1.788 10.995 5.418 1.00 0.63 H new ATOM 0 HA ALA A 54 -0.463 11.659 7.824 1.00 0.69 H new ATOM 0 HB1 ALA A 54 -2.745 12.321 8.522 1.00 0.86 H new ATOM 0 HB2 ALA A 54 -2.376 12.904 6.882 1.00 0.86 H new ATOM 0 HB3 ALA A 54 -3.421 11.481 7.106 1.00 0.86 H new ATOM 851 N HIS A 55 -2.513 9.040 7.940 1.00 0.65 N ATOM 852 CA HIS A 55 -2.837 7.857 8.727 1.00 0.62 C ATOM 853 C HIS A 55 -1.617 6.937 8.778 1.00 0.56 C ATOM 854 O HIS A 55 -1.215 6.453 9.834 1.00 0.57 O ATOM 855 CB HIS A 55 -4.071 7.173 8.136 1.00 0.68 C ATOM 856 CG HIS A 55 -5.229 8.121 7.975 1.00 0.78 C ATOM 857 ND1 HIS A 55 -5.826 8.483 6.787 1.00 0.95 N ATOM 858 CD2 HIS A 55 -5.750 8.916 8.963 1.00 0.84 C ATOM 859 CE1 HIS A 55 -6.700 9.465 7.067 1.00 1.03 C ATOM 860 NE2 HIS A 55 -6.683 9.771 8.372 1.00 0.96 N ATOM 0 H HIS A 55 -3.078 9.160 7.099 1.00 0.65 H new ATOM 0 HA HIS A 55 -3.083 8.130 9.753 1.00 0.62 H new ATOM 0 HB2 HIS A 55 -3.817 6.746 7.166 1.00 0.68 H new ATOM 0 HB3 HIS A 55 -4.369 6.346 8.781 1.00 0.68 H new ATOM 0 HD2 HIS A 55 -5.486 8.886 10.010 1.00 0.84 H new ATOM 0 HE1 HIS A 55 -7.333 9.945 6.336 1.00 1.03 H new ATOM 0 HE2 HIS A 55 -7.240 10.486 8.840 1.00 0.96 H new ATOM 868 N MET A 56 -1.001 6.738 7.616 1.00 0.54 N ATOM 869 CA MET A 56 0.242 6.007 7.466 1.00 0.54 C ATOM 870 C MET A 56 1.340 6.543 8.408 1.00 0.53 C ATOM 871 O MET A 56 1.996 5.755 9.086 1.00 0.55 O ATOM 872 CB MET A 56 0.629 6.024 5.982 1.00 0.59 C ATOM 873 CG MET A 56 -0.411 5.307 5.102 1.00 0.69 C ATOM 874 SD MET A 56 -0.596 5.858 3.377 1.00 1.82 S ATOM 875 CE MET A 56 1.040 5.527 2.689 1.00 3.02 C ATOM 0 H MET A 56 -1.367 7.093 6.732 1.00 0.54 H new ATOM 0 HA MET A 56 0.114 4.969 7.771 1.00 0.54 H new ATOM 0 HB2 MET A 56 0.736 7.056 5.648 1.00 0.59 H new ATOM 0 HB3 MET A 56 1.601 5.546 5.856 1.00 0.59 H new ATOM 0 HG2 MET A 56 -0.162 4.246 5.089 1.00 0.69 H new ATOM 0 HG3 MET A 56 -1.382 5.401 5.589 1.00 0.69 H new ATOM 0 HE1 MET A 56 0.937 5.146 1.673 1.00 3.02 H new ATOM 0 HE2 MET A 56 1.621 6.449 2.673 1.00 3.02 H new ATOM 0 HE3 MET A 56 1.551 4.786 3.305 1.00 3.02 H new ATOM 885 N THR A 57 1.534 7.865 8.509 1.00 0.55 N ATOM 886 CA THR A 57 2.524 8.418 9.429 1.00 0.59 C ATOM 887 C THR A 57 2.121 8.151 10.868 1.00 0.61 C ATOM 888 O THR A 57 2.965 7.753 11.674 1.00 0.65 O ATOM 889 CB THR A 57 2.811 9.914 9.232 1.00 0.62 C ATOM 890 OG1 THR A 57 1.672 10.668 8.909 1.00 1.75 O ATOM 891 CG2 THR A 57 3.865 10.134 8.154 1.00 1.62 C ATOM 0 H THR A 57 1.021 8.562 7.968 1.00 0.55 H new ATOM 0 HA THR A 57 3.455 7.902 9.196 1.00 0.59 H new ATOM 0 HB THR A 57 3.177 10.263 10.198 1.00 0.62 H new ATOM 0 HG1 THR A 57 0.867 10.170 9.164 1.00 1.75 H new ATOM 0 HG21 THR A 57 4.048 11.202 8.036 1.00 1.62 H new ATOM 0 HG22 THR A 57 4.791 9.637 8.444 1.00 1.62 H new ATOM 0 HG23 THR A 57 3.511 9.720 7.210 1.00 1.62 H new ATOM 899 N ASP A 58 0.841 8.353 11.205 1.00 0.61 N ATOM 900 CA ASP A 58 0.390 8.033 12.546 1.00 0.65 C ATOM 901 C ASP A 58 0.781 6.601 12.896 1.00 0.63 C ATOM 902 O ASP A 58 1.360 6.363 13.959 1.00 0.74 O ATOM 903 CB ASP A 58 -1.104 8.251 12.764 1.00 0.73 C ATOM 904 CG ASP A 58 -1.527 7.666 14.107 1.00 1.81 C ATOM 905 OD1 ASP A 58 -0.872 7.965 15.137 1.00 2.71 O ATOM 906 OD2 ASP A 58 -2.429 6.803 14.129 1.00 3.20 O ATOM 0 H ASP A 58 0.125 8.726 10.582 1.00 0.61 H new ATOM 0 HA ASP A 58 0.890 8.732 13.216 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -1.332 9.316 12.734 1.00 0.73 H new ATOM 0 HB3 ASP A 58 -1.669 7.781 11.959 1.00 0.73 H new ATOM 911 N LEU A 59 0.484 5.676 11.984 1.00 0.56 N ATOM 912 CA LEU A 59 0.772 4.261 12.157 1.00 0.55 C ATOM 913 C LEU A 59 2.263 3.938 12.092 1.00 0.59 C ATOM 914 O LEU A 59 2.667 2.967 12.717 1.00 0.70 O ATOM 915 CB LEU A 59 -0.065 3.367 11.227 1.00 0.52 C ATOM 916 CG LEU A 59 -1.326 2.833 11.923 1.00 0.67 C ATOM 917 CD1 LEU A 59 -2.371 3.940 11.974 1.00 1.09 C ATOM 918 CD2 LEU A 59 -1.881 1.603 11.199 1.00 0.85 C ATOM 0 H LEU A 59 0.032 5.895 11.096 1.00 0.56 H new ATOM 0 HA LEU A 59 0.461 4.022 13.174 1.00 0.55 H new ATOM 0 HB2 LEU A 59 -0.352 3.934 10.341 1.00 0.52 H new ATOM 0 HB3 LEU A 59 0.543 2.529 10.886 1.00 0.52 H new ATOM 0 HG LEU A 59 -1.068 2.525 12.936 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -3.270 3.569 12.467 1.00 1.09 H new ATOM 0 HD12 LEU A 59 -1.975 4.789 12.532 1.00 1.09 H new ATOM 0 HD13 LEU A 59 -2.617 4.255 10.960 1.00 1.09 H new ATOM 0 HD21 LEU A 59 -2.773 1.249 11.715 1.00 0.85 H new ATOM 0 HD22 LEU A 59 -2.137 1.869 10.174 1.00 0.85 H new ATOM 0 HD23 LEU A 59 -1.128 0.815 11.192 1.00 0.85 H new ATOM 930 N GLN A 60 3.099 4.734 11.423 1.00 0.55 N ATOM 931 CA GLN A 60 4.554 4.569 11.463 1.00 0.55 C ATOM 932 C GLN A 60 5.037 4.517 12.918 1.00 0.55 C ATOM 933 O GLN A 60 5.893 3.718 13.290 1.00 0.58 O ATOM 934 CB GLN A 60 5.224 5.726 10.710 1.00 0.61 C ATOM 935 CG GLN A 60 6.529 5.332 10.013 1.00 0.83 C ATOM 936 CD GLN A 60 7.671 4.916 10.932 1.00 1.18 C ATOM 937 OE1 GLN A 60 7.906 5.530 11.972 1.00 2.55 O ATOM 938 NE2 GLN A 60 8.436 3.917 10.503 1.00 1.31 N ATOM 0 H GLN A 60 2.788 5.510 10.839 1.00 0.55 H new ATOM 0 HA GLN A 60 4.826 3.631 10.978 1.00 0.55 H new ATOM 0 HB2 GLN A 60 4.528 6.115 9.967 1.00 0.61 H new ATOM 0 HB3 GLN A 60 5.427 6.535 11.411 1.00 0.61 H new ATOM 0 HG2 GLN A 60 6.320 4.509 9.329 1.00 0.83 H new ATOM 0 HG3 GLN A 60 6.864 6.174 9.407 1.00 0.83 H new ATOM 0 HE21 GLN A 60 8.205 3.434 9.635 1.00 1.31 H new ATOM 0 HE22 GLN A 60 9.254 3.633 11.042 1.00 1.31 H new ATOM 947 N LYS A 61 4.443 5.365 13.755 1.00 0.59 N ATOM 948 CA LYS A 61 4.699 5.394 15.181 1.00 0.65 C ATOM 949 C LYS A 61 4.344 4.042 15.801 1.00 0.67 C ATOM 950 O LYS A 61 5.184 3.419 16.443 1.00 0.73 O ATOM 951 CB LYS A 61 3.854 6.519 15.768 1.00 0.74 C ATOM 952 CG LYS A 61 4.145 6.902 17.212 1.00 0.74 C ATOM 953 CD LYS A 61 3.457 8.245 17.523 1.00 0.85 C ATOM 954 CE LYS A 61 1.938 8.279 17.240 1.00 2.32 C ATOM 955 NZ LYS A 61 1.578 8.446 15.808 1.00 3.36 N ATOM 0 H LYS A 61 3.761 6.059 13.450 1.00 0.59 H new ATOM 0 HA LYS A 61 5.753 5.576 15.393 1.00 0.65 H new ATOM 0 HB2 LYS A 61 3.986 7.405 15.147 1.00 0.74 H new ATOM 0 HB3 LYS A 61 2.805 6.232 15.696 1.00 0.74 H new ATOM 0 HG2 LYS A 61 3.782 6.128 17.887 1.00 0.74 H new ATOM 0 HG3 LYS A 61 5.220 6.984 17.370 1.00 0.74 H new ATOM 0 HD2 LYS A 61 3.622 8.486 18.573 1.00 0.85 H new ATOM 0 HD3 LYS A 61 3.939 9.028 16.937 1.00 0.85 H new ATOM 0 HE2 LYS A 61 1.493 7.354 17.607 1.00 2.32 H new ATOM 0 HE3 LYS A 61 1.494 9.095 17.810 1.00 2.32 H new ATOM 0 HZ1 LYS A 61 0.590 8.761 15.733 1.00 3.36 H new ATOM 0 HZ2 LYS A 61 2.201 9.156 15.374 1.00 3.36 H new ATOM 0 HZ3 LYS A 61 1.691 7.538 15.314 1.00 3.36 H new ATOM 969 N LYS A 62 3.099 3.587 15.596 1.00 0.70 N ATOM 970 CA LYS A 62 2.647 2.292 16.089 1.00 0.76 C ATOM 971 C LYS A 62 3.587 1.189 15.604 1.00 0.63 C ATOM 972 O LYS A 62 3.913 0.286 16.365 1.00 0.67 O ATOM 973 CB LYS A 62 1.198 1.991 15.674 1.00 0.91 C ATOM 974 CG LYS A 62 0.140 2.708 16.526 1.00 1.60 C ATOM 975 CD LYS A 62 -0.272 4.092 16.005 1.00 3.30 C ATOM 976 CE LYS A 62 -1.302 4.694 16.970 1.00 4.64 C ATOM 977 NZ LYS A 62 -1.917 5.942 16.459 1.00 6.64 N ATOM 0 H LYS A 62 2.386 4.108 15.086 1.00 0.70 H new ATOM 0 HA LYS A 62 2.668 2.326 17.178 1.00 0.76 H new ATOM 0 HB2 LYS A 62 1.063 2.277 14.631 1.00 0.91 H new ATOM 0 HB3 LYS A 62 1.030 0.916 15.734 1.00 0.91 H new ATOM 0 HG2 LYS A 62 -0.747 2.078 16.585 1.00 1.60 H new ATOM 0 HG3 LYS A 62 0.522 2.816 17.541 1.00 1.60 H new ATOM 0 HD2 LYS A 62 0.600 4.742 15.929 1.00 3.30 H new ATOM 0 HD3 LYS A 62 -0.696 4.008 15.004 1.00 3.30 H new ATOM 0 HE2 LYS A 62 -2.086 3.961 17.159 1.00 4.64 H new ATOM 0 HE3 LYS A 62 -0.820 4.899 17.926 1.00 4.64 H new ATOM 0 HZ1 LYS A 62 -2.627 6.282 17.138 1.00 6.64 H new ATOM 0 HZ2 LYS A 62 -1.181 6.666 16.336 1.00 6.64 H new ATOM 0 HZ3 LYS A 62 -2.375 5.754 15.544 1.00 6.64 H new ATOM 991 N LEU A 63 4.068 1.293 14.363 1.00 0.53 N ATOM 992 CA LEU A 63 5.035 0.388 13.774 1.00 0.48 C ATOM 993 C LEU A 63 6.174 0.108 14.746 1.00 0.49 C ATOM 994 O LEU A 63 6.603 -1.029 14.834 1.00 0.52 O ATOM 995 CB LEU A 63 5.555 0.927 12.442 1.00 0.62 C ATOM 996 CG LEU A 63 5.770 -0.155 11.378 1.00 1.06 C ATOM 997 CD1 LEU A 63 6.719 -1.265 11.832 1.00 1.36 C ATOM 998 CD2 LEU A 63 4.463 -0.747 10.838 1.00 1.38 C ATOM 0 H LEU A 63 3.780 2.036 13.727 1.00 0.53 H new ATOM 0 HA LEU A 63 4.533 -0.558 13.568 1.00 0.48 H new ATOM 0 HB2 LEU A 63 4.850 1.665 12.059 1.00 0.62 H new ATOM 0 HB3 LEU A 63 6.498 1.446 12.614 1.00 0.62 H new ATOM 0 HG LEU A 63 6.251 0.370 10.552 1.00 1.06 H new ATOM 0 HD11 LEU A 63 6.829 -1.999 11.034 1.00 1.36 H new ATOM 0 HD12 LEU A 63 7.693 -0.837 12.068 1.00 1.36 H new ATOM 0 HD13 LEU A 63 6.312 -1.751 12.719 1.00 1.36 H new ATOM 0 HD21 LEU A 63 4.689 -1.506 10.089 1.00 1.38 H new ATOM 0 HD22 LEU A 63 3.903 -1.200 11.656 1.00 1.38 H new ATOM 0 HD23 LEU A 63 3.866 0.044 10.384 1.00 1.38 H new ATOM 1010 N LYS A 64 6.644 1.094 15.517 1.00 0.64 N ATOM 1011 CA LYS A 64 7.705 0.845 16.495 1.00 0.85 C ATOM 1012 C LYS A 64 7.382 -0.332 17.436 1.00 0.88 C ATOM 1013 O LYS A 64 8.280 -1.076 17.824 1.00 1.01 O ATOM 1014 CB LYS A 64 8.024 2.111 17.300 1.00 1.08 C ATOM 1015 CG LYS A 64 8.549 3.282 16.453 1.00 1.46 C ATOM 1016 CD LYS A 64 9.821 2.925 15.665 1.00 1.22 C ATOM 1017 CE LYS A 64 9.491 2.668 14.186 1.00 1.92 C ATOM 1018 NZ LYS A 64 10.582 1.989 13.465 1.00 2.28 N ATOM 0 H LYS A 64 6.312 2.058 15.484 1.00 0.64 H new ATOM 0 HA LYS A 64 8.590 0.563 15.925 1.00 0.85 H new ATOM 0 HB2 LYS A 64 7.123 2.431 17.824 1.00 1.08 H new ATOM 0 HB3 LYS A 64 8.765 1.867 18.061 1.00 1.08 H new ATOM 0 HG2 LYS A 64 7.772 3.597 15.756 1.00 1.46 H new ATOM 0 HG3 LYS A 64 8.757 4.131 17.104 1.00 1.46 H new ATOM 0 HD2 LYS A 64 10.544 3.737 15.745 1.00 1.22 H new ATOM 0 HD3 LYS A 64 10.286 2.039 16.098 1.00 1.22 H new ATOM 0 HE2 LYS A 64 8.587 2.063 14.121 1.00 1.92 H new ATOM 0 HE3 LYS A 64 9.275 3.618 13.697 1.00 1.92 H new ATOM 0 HZ1 LYS A 64 10.422 2.067 12.440 1.00 2.28 H new ATOM 0 HZ2 LYS A 64 11.489 2.435 13.709 1.00 2.28 H new ATOM 0 HZ3 LYS A 64 10.606 0.985 13.737 1.00 2.28 H new ATOM 1032 N ALA A 65 6.112 -0.492 17.807 1.00 0.86 N ATOM 1033 CA ALA A 65 5.608 -1.623 18.581 1.00 0.97 C ATOM 1034 C ALA A 65 5.481 -2.889 17.735 1.00 0.86 C ATOM 1035 O ALA A 65 5.820 -3.976 18.192 1.00 0.96 O ATOM 1036 CB ALA A 65 4.274 -1.260 19.239 1.00 1.10 C ATOM 0 H ALA A 65 5.385 0.183 17.569 1.00 0.86 H new ATOM 0 HA ALA A 65 6.336 -1.842 19.362 1.00 0.97 H new ATOM 0 HB1 ALA A 65 3.908 -2.111 19.813 1.00 1.10 H new ATOM 0 HB2 ALA A 65 4.416 -0.408 19.904 1.00 1.10 H new ATOM 0 HB3 ALA A 65 3.547 -1.002 18.469 1.00 1.10 H new ATOM 1042 N GLU A 66 5.000 -2.744 16.499 1.00 0.73 N ATOM 1043 CA GLU A 66 4.824 -3.838 15.564 1.00 0.68 C ATOM 1044 C GLU A 66 6.187 -4.295 15.044 1.00 0.54 C ATOM 1045 O GLU A 66 6.275 -5.349 14.427 1.00 0.55 O ATOM 1046 CB GLU A 66 3.894 -3.443 14.403 1.00 0.71 C ATOM 1047 CG GLU A 66 2.691 -2.570 14.785 1.00 0.93 C ATOM 1048 CD GLU A 66 1.841 -3.155 15.906 1.00 1.04 C ATOM 1049 OE1 GLU A 66 1.480 -4.344 15.784 1.00 2.21 O ATOM 1050 OE2 GLU A 66 1.543 -2.389 16.849 1.00 1.84 O ATOM 0 H GLU A 66 4.718 -1.840 16.120 1.00 0.73 H new ATOM 0 HA GLU A 66 4.348 -4.667 16.087 1.00 0.68 H new ATOM 0 HB2 GLU A 66 4.482 -2.912 13.654 1.00 0.71 H new ATOM 0 HB3 GLU A 66 3.524 -4.353 13.931 1.00 0.71 H new ATOM 0 HG2 GLU A 66 3.049 -1.586 15.088 1.00 0.93 H new ATOM 0 HG3 GLU A 66 2.065 -2.424 13.905 1.00 0.93 H new ATOM 1057 N ASN A 67 7.257 -3.526 15.296 1.00 0.59 N ATOM 1058 CA ASN A 67 8.567 -3.622 14.667 1.00 0.71 C ATOM 1059 C ASN A 67 9.325 -4.918 14.966 1.00 1.11 C ATOM 1060 O ASN A 67 10.530 -4.953 14.735 1.00 2.06 O ATOM 1061 CB ASN A 67 9.445 -2.420 15.074 1.00 0.87 C ATOM 1062 CG ASN A 67 10.277 -1.878 13.915 1.00 1.38 C ATOM 1063 OD1 ASN A 67 10.231 -0.683 13.617 1.00 2.34 O ATOM 1064 ND2 ASN A 67 11.037 -2.733 13.248 1.00 1.83 N ATOM 0 H ASN A 67 7.220 -2.777 15.988 1.00 0.59 H new ATOM 0 HA ASN A 67 8.369 -3.620 13.595 1.00 0.71 H new ATOM 0 HB2 ASN A 67 8.808 -1.625 15.461 1.00 0.87 H new ATOM 0 HB3 ASN A 67 10.110 -2.719 15.884 1.00 0.87 H new ATOM 0 HD21 ASN A 67 11.604 -2.408 12.465 1.00 1.83 H new ATOM 0 HD22 ASN A 67 11.055 -3.717 13.517 1.00 1.83 H new ATOM 1071 N ILE A 68 8.651 -5.948 15.487 1.00 0.92 N ATOM 1072 CA ILE A 68 9.198 -7.298 15.676 1.00 1.16 C ATOM 1073 C ILE A 68 10.147 -7.649 14.515 1.00 1.21 C ATOM 1074 O ILE A 68 11.359 -7.679 14.717 1.00 1.55 O ATOM 1075 CB ILE A 68 8.077 -8.331 15.909 1.00 1.24 C ATOM 1076 CG1 ILE A 68 7.460 -8.226 17.316 1.00 1.41 C ATOM 1077 CG2 ILE A 68 8.605 -9.772 15.787 1.00 1.42 C ATOM 1078 CD1 ILE A 68 6.700 -6.930 17.604 1.00 1.31 C ATOM 0 H ILE A 68 7.683 -5.865 15.798 1.00 0.92 H new ATOM 0 HA ILE A 68 9.799 -7.324 16.585 1.00 1.16 H new ATOM 0 HB ILE A 68 7.330 -8.110 15.146 1.00 1.24 H new ATOM 0 HG12 ILE A 68 6.780 -9.066 17.460 1.00 1.41 H new ATOM 0 HG13 ILE A 68 8.257 -8.331 18.052 1.00 1.41 H new ATOM 0 HG21 ILE A 68 7.789 -10.474 15.957 1.00 1.42 H new ATOM 0 HG22 ILE A 68 9.014 -9.926 14.789 1.00 1.42 H new ATOM 0 HG23 ILE A 68 9.386 -9.937 16.529 1.00 1.42 H new ATOM 0 HD11 ILE A 68 6.306 -6.957 18.620 1.00 1.31 H new ATOM 0 HD12 ILE A 68 7.376 -6.081 17.500 1.00 1.31 H new ATOM 0 HD13 ILE A 68 5.876 -6.827 16.898 1.00 1.31 H new ATOM 1090 N ASP A 69 9.609 -7.828 13.304 1.00 1.03 N ATOM 1091 CA ASP A 69 10.329 -7.642 12.040 1.00 1.08 C ATOM 1092 C ASP A 69 9.358 -7.284 10.906 1.00 0.87 C ATOM 1093 O ASP A 69 9.582 -7.584 9.732 1.00 1.17 O ATOM 1094 CB ASP A 69 11.189 -8.858 11.714 1.00 1.52 C ATOM 1095 CG ASP A 69 12.143 -8.637 10.539 1.00 1.83 C ATOM 1096 OD1 ASP A 69 12.592 -7.484 10.354 1.00 2.19 O ATOM 1097 OD2 ASP A 69 12.446 -9.644 9.861 1.00 2.81 O ATOM 0 H ASP A 69 8.638 -8.113 13.173 1.00 1.03 H new ATOM 0 HA ASP A 69 11.011 -6.799 12.150 1.00 1.08 H new ATOM 0 HB2 ASP A 69 11.769 -9.129 12.596 1.00 1.52 H new ATOM 0 HB3 ASP A 69 10.538 -9.703 11.489 1.00 1.52 H new ATOM 1102 N VAL A 70 8.263 -6.605 11.250 1.00 0.62 N ATOM 1103 CA VAL A 70 7.328 -6.112 10.246 1.00 0.54 C ATOM 1104 C VAL A 70 7.921 -4.845 9.632 1.00 0.56 C ATOM 1105 O VAL A 70 8.671 -4.121 10.288 1.00 0.68 O ATOM 1106 CB VAL A 70 5.914 -5.857 10.812 1.00 0.48 C ATOM 1107 CG1 VAL A 70 5.440 -6.935 11.788 1.00 0.57 C ATOM 1108 CG2 VAL A 70 5.742 -4.475 11.438 1.00 0.52 C ATOM 0 H VAL A 70 8.005 -6.386 12.212 1.00 0.62 H new ATOM 0 HA VAL A 70 7.195 -6.879 9.483 1.00 0.54 H new ATOM 0 HB VAL A 70 5.276 -5.903 9.930 1.00 0.48 H new ATOM 0 HG11 VAL A 70 4.440 -6.689 12.144 1.00 0.57 H new ATOM 0 HG12 VAL A 70 5.418 -7.900 11.282 1.00 0.57 H new ATOM 0 HG13 VAL A 70 6.124 -6.985 12.635 1.00 0.57 H new ATOM 0 HG21 VAL A 70 4.724 -4.370 11.813 1.00 0.52 H new ATOM 0 HG22 VAL A 70 6.446 -4.359 12.262 1.00 0.52 H new ATOM 0 HG23 VAL A 70 5.933 -3.709 10.687 1.00 0.52 H new ATOM 1118 N ARG A 71 7.547 -4.541 8.390 1.00 0.51 N ATOM 1119 CA ARG A 71 7.828 -3.275 7.735 1.00 0.46 C ATOM 1120 C ARG A 71 6.541 -2.833 7.073 1.00 0.50 C ATOM 1121 O ARG A 71 5.759 -3.679 6.642 1.00 0.71 O ATOM 1122 CB ARG A 71 8.961 -3.432 6.717 1.00 0.57 C ATOM 1123 CG ARG A 71 10.320 -3.389 7.427 1.00 0.84 C ATOM 1124 CD ARG A 71 11.445 -3.761 6.464 1.00 0.69 C ATOM 1125 NE ARG A 71 11.385 -5.198 6.148 1.00 0.78 N ATOM 1126 CZ ARG A 71 11.473 -5.761 4.932 1.00 0.80 C ATOM 1127 NH1 ARG A 71 11.606 -5.026 3.822 1.00 0.78 N ATOM 1128 NH2 ARG A 71 11.416 -7.091 4.813 1.00 1.15 N ATOM 0 H ARG A 71 7.026 -5.190 7.800 1.00 0.51 H new ATOM 0 HA ARG A 71 8.162 -2.525 8.452 1.00 0.46 H new ATOM 0 HB2 ARG A 71 8.851 -4.376 6.182 1.00 0.57 H new ATOM 0 HB3 ARG A 71 8.905 -2.636 5.974 1.00 0.57 H new ATOM 0 HG2 ARG A 71 10.494 -2.391 7.829 1.00 0.84 H new ATOM 0 HG3 ARG A 71 10.316 -4.077 8.272 1.00 0.84 H new ATOM 0 HD2 ARG A 71 11.359 -3.175 5.549 1.00 0.69 H new ATOM 0 HD3 ARG A 71 12.410 -3.518 6.909 1.00 0.69 H new ATOM 0 HE ARG A 71 11.264 -5.833 6.937 1.00 0.78 H new ATOM 0 HH11 ARG A 71 11.643 -4.009 3.885 1.00 0.78 H new ATOM 0 HH12 ARG A 71 11.670 -5.483 2.912 1.00 0.78 H new ATOM 0 HH21 ARG A 71 11.306 -7.673 5.643 1.00 1.15 H new ATOM 0 HH22 ARG A 71 11.482 -7.524 3.892 1.00 1.15 H new ATOM 1142 N ILE A 72 6.312 -1.523 7.018 1.00 0.42 N ATOM 1143 CA ILE A 72 5.169 -0.990 6.304 1.00 0.41 C ATOM 1144 C ILE A 72 5.619 -0.736 4.863 1.00 0.39 C ATOM 1145 O ILE A 72 6.536 0.053 4.628 1.00 0.49 O ATOM 1146 CB ILE A 72 4.551 0.204 7.058 1.00 0.40 C ATOM 1147 CG1 ILE A 72 3.259 0.687 6.379 1.00 0.55 C ATOM 1148 CG2 ILE A 72 5.523 1.346 7.384 1.00 0.35 C ATOM 1149 CD1 ILE A 72 3.458 1.808 5.374 1.00 1.59 C ATOM 0 H ILE A 72 6.904 -0.819 7.459 1.00 0.42 H new ATOM 0 HA ILE A 72 4.335 -1.690 6.254 1.00 0.41 H new ATOM 0 HB ILE A 72 4.286 -0.184 8.041 1.00 0.40 H new ATOM 0 HG12 ILE A 72 2.791 -0.158 5.874 1.00 0.55 H new ATOM 0 HG13 ILE A 72 2.564 1.024 7.148 1.00 0.55 H new ATOM 0 HG21 ILE A 72 4.991 2.136 7.914 1.00 0.35 H new ATOM 0 HG22 ILE A 72 6.331 0.968 8.011 1.00 0.35 H new ATOM 0 HG23 ILE A 72 5.938 1.746 6.459 1.00 0.35 H new ATOM 0 HD11 ILE A 72 2.496 2.086 4.944 1.00 1.59 H new ATOM 0 HD12 ILE A 72 3.895 2.672 5.874 1.00 1.59 H new ATOM 0 HD13 ILE A 72 4.126 1.472 4.581 1.00 1.59 H new ATOM 1161 N ILE A 73 5.059 -1.476 3.905 1.00 0.32 N ATOM 1162 CA ILE A 73 5.415 -1.378 2.501 1.00 0.35 C ATOM 1163 C ILE A 73 4.431 -0.439 1.812 1.00 0.39 C ATOM 1164 O ILE A 73 3.288 -0.261 2.238 1.00 0.48 O ATOM 1165 CB ILE A 73 5.448 -2.796 1.893 1.00 0.42 C ATOM 1166 CG1 ILE A 73 6.834 -3.447 2.011 1.00 0.47 C ATOM 1167 CG2 ILE A 73 5.011 -2.864 0.420 1.00 0.50 C ATOM 1168 CD1 ILE A 73 7.281 -3.671 3.458 1.00 0.47 C ATOM 0 H ILE A 73 4.335 -2.169 4.093 1.00 0.32 H new ATOM 0 HA ILE A 73 6.410 -0.954 2.362 1.00 0.35 H new ATOM 0 HB ILE A 73 4.719 -3.346 2.488 1.00 0.42 H new ATOM 0 HG12 ILE A 73 6.823 -4.404 1.490 1.00 0.47 H new ATOM 0 HG13 ILE A 73 7.567 -2.818 1.506 1.00 0.47 H new ATOM 0 HG21 ILE A 73 5.064 -3.896 0.072 1.00 0.50 H new ATOM 0 HG22 ILE A 73 3.987 -2.502 0.327 1.00 0.50 H new ATOM 0 HG23 ILE A 73 5.672 -2.243 -0.185 1.00 0.50 H new ATOM 0 HD11 ILE A 73 8.268 -4.134 3.466 1.00 0.47 H new ATOM 0 HD12 ILE A 73 7.325 -2.714 3.978 1.00 0.47 H new ATOM 0 HD13 ILE A 73 6.569 -4.325 3.962 1.00 0.47 H new ATOM 1180 N SER A 74 4.874 0.185 0.728 1.00 0.50 N ATOM 1181 CA SER A 74 4.039 1.102 -0.015 1.00 0.55 C ATOM 1182 C SER A 74 4.520 1.131 -1.467 1.00 0.60 C ATOM 1183 O SER A 74 5.493 1.820 -1.760 1.00 0.56 O ATOM 1184 CB SER A 74 4.180 2.481 0.646 1.00 0.54 C ATOM 1185 OG SER A 74 3.799 2.454 2.010 1.00 1.60 O ATOM 0 H SER A 74 5.813 0.068 0.347 1.00 0.50 H new ATOM 0 HA SER A 74 2.991 0.801 -0.010 1.00 0.55 H new ATOM 0 HB2 SER A 74 5.213 2.819 0.564 1.00 0.54 H new ATOM 0 HB3 SER A 74 3.565 3.205 0.111 1.00 0.54 H new ATOM 0 HG SER A 74 3.286 3.262 2.223 1.00 1.60 H new ATOM 1191 N PHE A 75 3.907 0.368 -2.377 1.00 0.82 N ATOM 1192 CA PHE A 75 4.345 0.379 -3.771 1.00 0.91 C ATOM 1193 C PHE A 75 3.812 1.614 -4.496 1.00 0.82 C ATOM 1194 O PHE A 75 2.727 2.102 -4.171 1.00 0.81 O ATOM 1195 CB PHE A 75 4.012 -0.929 -4.499 1.00 1.21 C ATOM 1196 CG PHE A 75 2.581 -1.419 -4.401 1.00 0.88 C ATOM 1197 CD1 PHE A 75 2.254 -2.387 -3.434 1.00 2.04 C ATOM 1198 CD2 PHE A 75 1.673 -1.137 -5.440 1.00 1.67 C ATOM 1199 CE1 PHE A 75 1.077 -3.141 -3.563 1.00 2.25 C ATOM 1200 CE2 PHE A 75 0.500 -1.900 -5.575 1.00 1.66 C ATOM 1201 CZ PHE A 75 0.225 -2.932 -4.662 1.00 1.28 C ATOM 0 H PHE A 75 3.122 -0.252 -2.177 1.00 0.82 H new ATOM 0 HA PHE A 75 5.433 0.445 -3.777 1.00 0.91 H new ATOM 0 HB2 PHE A 75 4.257 -0.803 -5.554 1.00 1.21 H new ATOM 0 HB3 PHE A 75 4.666 -1.710 -4.111 1.00 1.21 H new ATOM 0 HD1 PHE A 75 2.909 -2.550 -2.591 1.00 2.04 H new ATOM 0 HD2 PHE A 75 1.878 -0.334 -6.133 1.00 1.67 H new ATOM 0 HE1 PHE A 75 0.826 -3.882 -2.818 1.00 2.25 H new ATOM 0 HE2 PHE A 75 -0.189 -1.693 -6.380 1.00 1.66 H new ATOM 0 HZ PHE A 75 -0.639 -3.564 -4.804 1.00 1.28 H new ATOM 1211 N SER A 76 4.577 2.132 -5.461 1.00 0.78 N ATOM 1212 CA SER A 76 4.228 3.366 -6.136 1.00 0.72 C ATOM 1213 C SER A 76 3.140 3.083 -7.166 1.00 0.77 C ATOM 1214 O SER A 76 3.320 2.311 -8.108 1.00 1.08 O ATOM 1215 CB SER A 76 5.469 4.031 -6.745 1.00 0.80 C ATOM 1216 OG SER A 76 6.152 3.196 -7.657 1.00 2.27 O ATOM 0 H SER A 76 5.445 1.706 -5.787 1.00 0.78 H new ATOM 0 HA SER A 76 3.829 4.082 -5.417 1.00 0.72 H new ATOM 0 HB2 SER A 76 5.170 4.948 -7.254 1.00 0.80 H new ATOM 0 HB3 SER A 76 6.150 4.319 -5.944 1.00 0.80 H new ATOM 0 HG SER A 76 5.506 2.633 -8.132 1.00 2.27 H new ATOM 1222 N VAL A 77 1.978 3.700 -6.982 1.00 0.76 N ATOM 1223 CA VAL A 77 0.877 3.501 -7.897 1.00 0.82 C ATOM 1224 C VAL A 77 1.125 4.362 -9.133 1.00 0.73 C ATOM 1225 O VAL A 77 0.803 5.547 -9.143 1.00 0.76 O ATOM 1226 CB VAL A 77 -0.439 3.828 -7.190 1.00 0.91 C ATOM 1227 CG1 VAL A 77 -1.628 3.659 -8.146 1.00 1.10 C ATOM 1228 CG2 VAL A 77 -0.653 2.891 -5.997 1.00 1.05 C ATOM 0 H VAL A 77 1.782 4.337 -6.210 1.00 0.76 H new ATOM 0 HA VAL A 77 0.805 2.463 -8.221 1.00 0.82 H new ATOM 0 HB VAL A 77 -0.380 4.862 -6.851 1.00 0.91 H new ATOM 0 HG11 VAL A 77 -2.553 3.897 -7.621 1.00 1.10 H new ATOM 0 HG12 VAL A 77 -1.510 4.331 -8.996 1.00 1.10 H new ATOM 0 HG13 VAL A 77 -1.666 2.629 -8.500 1.00 1.10 H new ATOM 0 HG21 VAL A 77 -1.594 3.137 -5.505 1.00 1.05 H new ATOM 0 HG22 VAL A 77 -0.685 1.859 -6.346 1.00 1.05 H new ATOM 0 HG23 VAL A 77 0.168 3.009 -5.290 1.00 1.05 H new ATOM 1238 N ASP A 78 1.687 3.735 -10.167 1.00 0.93 N ATOM 1239 CA ASP A 78 1.826 4.275 -11.515 1.00 0.80 C ATOM 1240 C ASP A 78 3.007 5.239 -11.656 1.00 0.72 C ATOM 1241 O ASP A 78 2.831 6.439 -11.893 1.00 0.90 O ATOM 1242 CB ASP A 78 0.492 4.836 -12.025 1.00 1.05 C ATOM 1243 CG ASP A 78 0.528 5.142 -13.508 1.00 1.26 C ATOM 1244 OD1 ASP A 78 1.514 4.757 -14.167 1.00 2.00 O ATOM 1245 OD2 ASP A 78 -0.439 5.806 -13.949 1.00 2.33 O ATOM 0 H ASP A 78 2.074 2.795 -10.081 1.00 0.93 H new ATOM 0 HA ASP A 78 2.082 3.447 -12.176 1.00 0.80 H new ATOM 0 HB2 ASP A 78 -0.303 4.118 -11.823 1.00 1.05 H new ATOM 0 HB3 ASP A 78 0.248 5.744 -11.474 1.00 1.05 H new ATOM 1250 N PRO A 79 4.238 4.710 -11.552 1.00 0.77 N ATOM 1251 CA PRO A 79 5.438 5.513 -11.632 1.00 0.91 C ATOM 1252 C PRO A 79 5.717 6.022 -13.046 1.00 1.01 C ATOM 1253 O PRO A 79 6.608 6.851 -13.219 1.00 1.26 O ATOM 1254 CB PRO A 79 6.570 4.634 -11.106 1.00 1.12 C ATOM 1255 CG PRO A 79 6.101 3.234 -11.488 1.00 1.13 C ATOM 1256 CD PRO A 79 4.587 3.318 -11.307 1.00 0.91 C ATOM 0 HA PRO A 79 5.331 6.419 -11.036 1.00 0.91 H new ATOM 0 HB2 PRO A 79 7.526 4.883 -11.568 1.00 1.12 H new ATOM 0 HB3 PRO A 79 6.699 4.739 -10.029 1.00 1.12 H new ATOM 0 HG2 PRO A 79 6.372 2.984 -12.514 1.00 1.13 H new ATOM 0 HG3 PRO A 79 6.543 2.471 -10.847 1.00 1.13 H new ATOM 0 HD2 PRO A 79 4.072 2.657 -12.004 1.00 0.91 H new ATOM 0 HD3 PRO A 79 4.295 3.012 -10.302 1.00 0.91 H new ATOM 1264 N GLU A 80 4.962 5.566 -14.055 1.00 0.93 N ATOM 1265 CA GLU A 80 5.031 6.135 -15.391 1.00 1.19 C ATOM 1266 C GLU A 80 4.746 7.639 -15.314 1.00 1.34 C ATOM 1267 O GLU A 80 5.374 8.429 -16.016 1.00 1.85 O ATOM 1268 CB GLU A 80 4.066 5.404 -16.333 1.00 1.20 C ATOM 1269 CG GLU A 80 4.352 3.893 -16.332 1.00 1.55 C ATOM 1270 CD GLU A 80 3.577 3.133 -17.401 1.00 1.83 C ATOM 1271 OE1 GLU A 80 3.292 3.735 -18.457 1.00 1.92 O ATOM 1272 OE2 GLU A 80 3.318 1.936 -17.148 1.00 2.85 O ATOM 0 H GLU A 80 4.295 4.800 -13.961 1.00 0.93 H new ATOM 0 HA GLU A 80 6.032 6.004 -15.803 1.00 1.19 H new ATOM 0 HB2 GLU A 80 3.037 5.585 -16.021 1.00 1.20 H new ATOM 0 HB3 GLU A 80 4.167 5.798 -17.344 1.00 1.20 H new ATOM 0 HG2 GLU A 80 5.419 3.732 -16.483 1.00 1.55 H new ATOM 0 HG3 GLU A 80 4.104 3.484 -15.353 1.00 1.55 H new ATOM 1279 N ASN A 81 3.829 8.030 -14.420 1.00 1.12 N ATOM 1280 CA ASN A 81 3.667 9.416 -13.992 1.00 1.39 C ATOM 1281 C ASN A 81 4.446 9.657 -12.698 1.00 1.22 C ATOM 1282 O ASN A 81 5.324 10.523 -12.673 1.00 1.51 O ATOM 1283 CB ASN A 81 2.194 9.878 -13.910 1.00 1.80 C ATOM 1284 CG ASN A 81 1.144 8.783 -13.727 1.00 2.57 C ATOM 1285 OD1 ASN A 81 0.455 8.705 -12.710 1.00 4.11 O ATOM 1286 ND2 ASN A 81 0.949 7.962 -14.751 1.00 2.46 N ATOM 0 H ASN A 81 3.177 7.386 -13.973 1.00 1.12 H new ATOM 0 HA ASN A 81 4.094 10.049 -14.770 1.00 1.39 H new ATOM 0 HB2 ASN A 81 2.103 10.580 -13.081 1.00 1.80 H new ATOM 0 HB3 ASN A 81 1.958 10.428 -14.821 1.00 1.80 H new ATOM 0 HD21 ASN A 81 0.218 7.252 -14.703 1.00 2.46 H new ATOM 0 HD22 ASN A 81 1.530 8.041 -15.586 1.00 2.46 H new ATOM 1293 N ASP A 82 4.153 8.920 -11.618 1.00 1.23 N ATOM 1294 CA ASP A 82 4.740 9.202 -10.307 1.00 1.18 C ATOM 1295 C ASP A 82 6.155 8.625 -10.170 1.00 1.19 C ATOM 1296 O ASP A 82 6.423 7.747 -9.346 1.00 2.50 O ATOM 1297 CB ASP A 82 3.825 8.699 -9.188 1.00 1.23 C ATOM 1298 CG ASP A 82 4.041 9.502 -7.917 1.00 1.90 C ATOM 1299 OD1 ASP A 82 5.171 9.978 -7.695 1.00 2.92 O ATOM 1300 OD2 ASP A 82 3.046 9.683 -7.184 1.00 2.63 O ATOM 0 H ASP A 82 3.513 8.126 -11.629 1.00 1.23 H new ATOM 0 HA ASP A 82 4.832 10.284 -10.216 1.00 1.18 H new ATOM 0 HB2 ASP A 82 2.784 8.776 -9.500 1.00 1.23 H new ATOM 0 HB3 ASP A 82 4.023 7.644 -8.996 1.00 1.23 H new ATOM 1305 N LYS A 83 7.066 9.082 -11.029 1.00 1.02 N ATOM 1306 CA LYS A 83 8.459 8.661 -11.012 1.00 1.18 C ATOM 1307 C LYS A 83 8.994 8.703 -9.570 1.00 1.07 C ATOM 1308 O LYS A 83 8.846 9.734 -8.920 1.00 1.12 O ATOM 1309 CB LYS A 83 9.257 9.509 -12.006 1.00 1.50 C ATOM 1310 CG LYS A 83 9.230 10.993 -11.632 1.00 3.14 C ATOM 1311 CD LYS A 83 9.220 11.905 -12.866 1.00 3.55 C ATOM 1312 CE LYS A 83 10.466 11.718 -13.744 1.00 3.31 C ATOM 1313 NZ LYS A 83 10.392 12.523 -14.981 1.00 4.10 N ATOM 0 H LYS A 83 6.852 9.760 -11.760 1.00 1.02 H new ATOM 0 HA LYS A 83 8.564 7.627 -11.340 1.00 1.18 H new ATOM 0 HB2 LYS A 83 10.289 9.160 -12.036 1.00 1.50 H new ATOM 0 HB3 LYS A 83 8.847 9.378 -13.007 1.00 1.50 H new ATOM 0 HG2 LYS A 83 8.347 11.196 -11.026 1.00 3.14 H new ATOM 0 HG3 LYS A 83 10.100 11.226 -11.018 1.00 3.14 H new ATOM 0 HD2 LYS A 83 8.328 11.700 -13.458 1.00 3.55 H new ATOM 0 HD3 LYS A 83 9.158 12.945 -12.545 1.00 3.55 H new ATOM 0 HE2 LYS A 83 11.354 12.001 -13.179 1.00 3.31 H new ATOM 0 HE3 LYS A 83 10.574 10.664 -14.002 1.00 3.31 H new ATOM 0 HZ1 LYS A 83 11.251 12.370 -15.547 1.00 4.10 H new ATOM 0 HZ2 LYS A 83 9.558 12.236 -15.533 1.00 4.10 H new ATOM 0 HZ3 LYS A 83 10.314 13.531 -14.735 1.00 4.10 H new ATOM 1327 N PRO A 84 9.578 7.612 -9.041 1.00 1.04 N ATOM 1328 CA PRO A 84 9.661 7.332 -7.605 1.00 0.99 C ATOM 1329 C PRO A 84 10.272 8.443 -6.745 1.00 0.71 C ATOM 1330 O PRO A 84 9.969 8.574 -5.560 1.00 0.71 O ATOM 1331 CB PRO A 84 10.426 6.009 -7.470 1.00 1.18 C ATOM 1332 CG PRO A 84 11.051 5.782 -8.848 1.00 1.19 C ATOM 1333 CD PRO A 84 10.068 6.470 -9.789 1.00 1.19 C ATOM 0 HA PRO A 84 8.648 7.267 -7.207 1.00 0.99 H new ATOM 0 HB2 PRO A 84 11.189 6.070 -6.694 1.00 1.18 H new ATOM 0 HB3 PRO A 84 9.759 5.191 -7.198 1.00 1.18 H new ATOM 0 HG2 PRO A 84 12.047 6.219 -8.916 1.00 1.19 H new ATOM 0 HG3 PRO A 84 11.152 4.721 -9.075 1.00 1.19 H new ATOM 0 HD2 PRO A 84 10.556 6.782 -10.712 1.00 1.19 H new ATOM 0 HD3 PRO A 84 9.254 5.801 -10.069 1.00 1.19 H new ATOM 1341 N LYS A 85 11.121 9.275 -7.342 1.00 0.61 N ATOM 1342 CA LYS A 85 11.718 10.408 -6.658 1.00 0.58 C ATOM 1343 C LYS A 85 10.655 11.401 -6.167 1.00 0.53 C ATOM 1344 O LYS A 85 10.898 12.130 -5.208 1.00 0.59 O ATOM 1345 CB LYS A 85 12.777 11.057 -7.555 1.00 0.79 C ATOM 1346 CG LYS A 85 14.185 10.833 -7.010 1.00 1.26 C ATOM 1347 CD LYS A 85 15.264 11.347 -7.972 1.00 1.50 C ATOM 1348 CE LYS A 85 16.661 11.049 -7.402 1.00 2.31 C ATOM 1349 NZ LYS A 85 17.747 11.457 -8.319 1.00 2.91 N ATOM 0 H LYS A 85 11.412 9.179 -8.315 1.00 0.61 H new ATOM 0 HA LYS A 85 12.221 10.054 -5.758 1.00 0.58 H new ATOM 0 HB2 LYS A 85 12.705 10.644 -8.561 1.00 0.79 H new ATOM 0 HB3 LYS A 85 12.582 12.127 -7.634 1.00 0.79 H new ATOM 0 HG2 LYS A 85 14.286 11.338 -6.049 1.00 1.26 H new ATOM 0 HG3 LYS A 85 14.338 9.769 -6.829 1.00 1.26 H new ATOM 0 HD2 LYS A 85 15.151 10.872 -8.946 1.00 1.50 H new ATOM 0 HD3 LYS A 85 15.146 12.420 -8.125 1.00 1.50 H new ATOM 0 HE2 LYS A 85 16.780 11.568 -6.451 1.00 2.31 H new ATOM 0 HE3 LYS A 85 16.746 9.982 -7.196 1.00 2.31 H new ATOM 0 HZ1 LYS A 85 18.667 11.235 -7.888 1.00 2.91 H new ATOM 0 HZ2 LYS A 85 17.653 10.944 -9.219 1.00 2.91 H new ATOM 0 HZ3 LYS A 85 17.686 12.480 -8.496 1.00 2.91 H new ATOM 1363 N GLN A 86 9.484 11.439 -6.807 1.00 0.53 N ATOM 1364 CA GLN A 86 8.363 12.256 -6.383 1.00 0.60 C ATOM 1365 C GLN A 86 7.744 11.684 -5.109 1.00 0.51 C ATOM 1366 O GLN A 86 7.458 12.448 -4.193 1.00 0.57 O ATOM 1367 CB GLN A 86 7.365 12.429 -7.524 1.00 0.78 C ATOM 1368 CG GLN A 86 7.927 13.304 -8.658 1.00 1.24 C ATOM 1369 CD GLN A 86 8.158 14.758 -8.238 1.00 1.85 C ATOM 1370 OE1 GLN A 86 9.272 15.284 -8.308 1.00 3.03 O ATOM 1371 NE2 GLN A 86 7.101 15.423 -7.781 1.00 1.87 N ATOM 0 H GLN A 86 9.293 10.892 -7.646 1.00 0.53 H new ATOM 0 HA GLN A 86 8.711 13.258 -6.132 1.00 0.60 H new ATOM 0 HB2 GLN A 86 7.096 11.450 -7.921 1.00 0.78 H new ATOM 0 HB3 GLN A 86 6.450 12.879 -7.139 1.00 0.78 H new ATOM 0 HG2 GLN A 86 8.869 12.878 -9.004 1.00 1.24 H new ATOM 0 HG3 GLN A 86 7.238 13.281 -9.502 1.00 1.24 H new ATOM 0 HE21 GLN A 86 6.191 14.964 -7.734 1.00 1.87 H new ATOM 0 HE22 GLN A 86 7.200 16.392 -7.478 1.00 1.87 H new ATOM 1380 N LEU A 87 7.619 10.355 -4.992 1.00 0.44 N ATOM 1381 CA LEU A 87 7.268 9.749 -3.712 1.00 0.43 C ATOM 1382 C LEU A 87 8.316 10.148 -2.667 1.00 0.46 C ATOM 1383 O LEU A 87 7.976 10.606 -1.576 1.00 0.57 O ATOM 1384 CB LEU A 87 7.113 8.220 -3.792 1.00 0.43 C ATOM 1385 CG LEU A 87 5.880 7.761 -4.594 1.00 0.53 C ATOM 1386 CD1 LEU A 87 6.222 7.414 -6.044 1.00 1.09 C ATOM 1387 CD2 LEU A 87 5.266 6.507 -3.962 1.00 0.92 C ATOM 0 H LEU A 87 7.754 9.694 -5.757 1.00 0.44 H new ATOM 0 HA LEU A 87 6.289 10.127 -3.418 1.00 0.43 H new ATOM 0 HB2 LEU A 87 8.009 7.797 -4.247 1.00 0.43 H new ATOM 0 HB3 LEU A 87 7.048 7.817 -2.781 1.00 0.43 H new ATOM 0 HG LEU A 87 5.182 8.598 -4.577 1.00 0.53 H new ATOM 0 HD11 LEU A 87 5.319 7.097 -6.565 1.00 1.09 H new ATOM 0 HD12 LEU A 87 6.638 8.291 -6.540 1.00 1.09 H new ATOM 0 HD13 LEU A 87 6.954 6.606 -6.062 1.00 1.09 H new ATOM 0 HD21 LEU A 87 4.396 6.196 -4.541 1.00 0.92 H new ATOM 0 HD22 LEU A 87 6.003 5.704 -3.956 1.00 0.92 H new ATOM 0 HD23 LEU A 87 4.961 6.727 -2.939 1.00 0.92 H new ATOM 1399 N LYS A 88 9.599 10.022 -3.014 1.00 0.50 N ATOM 1400 CA LYS A 88 10.677 10.352 -2.090 1.00 0.67 C ATOM 1401 C LYS A 88 10.603 11.816 -1.623 1.00 0.76 C ATOM 1402 O LYS A 88 10.741 12.093 -0.434 1.00 0.95 O ATOM 1403 CB LYS A 88 12.036 9.965 -2.696 1.00 0.79 C ATOM 1404 CG LYS A 88 13.022 9.524 -1.604 1.00 0.99 C ATOM 1405 CD LYS A 88 14.227 8.770 -2.189 1.00 1.39 C ATOM 1406 CE LYS A 88 15.051 8.116 -1.067 1.00 1.47 C ATOM 1407 NZ LYS A 88 16.115 7.237 -1.589 1.00 3.23 N ATOM 0 H LYS A 88 9.912 9.694 -3.928 1.00 0.50 H new ATOM 0 HA LYS A 88 10.557 9.759 -1.183 1.00 0.67 H new ATOM 0 HB2 LYS A 88 11.900 9.158 -3.416 1.00 0.79 H new ATOM 0 HB3 LYS A 88 12.449 10.813 -3.242 1.00 0.79 H new ATOM 0 HG2 LYS A 88 13.372 10.399 -1.057 1.00 0.99 H new ATOM 0 HG3 LYS A 88 12.507 8.885 -0.887 1.00 0.99 H new ATOM 0 HD2 LYS A 88 13.882 8.007 -2.887 1.00 1.39 H new ATOM 0 HD3 LYS A 88 14.854 9.459 -2.755 1.00 1.39 H new ATOM 0 HE2 LYS A 88 15.498 8.894 -0.447 1.00 1.47 H new ATOM 0 HE3 LYS A 88 14.388 7.537 -0.424 1.00 1.47 H new ATOM 0 HZ1 LYS A 88 16.755 6.969 -0.814 1.00 3.23 H new ATOM 0 HZ2 LYS A 88 15.689 6.381 -1.998 1.00 3.23 H new ATOM 0 HZ3 LYS A 88 16.652 7.741 -2.323 1.00 3.23 H new ATOM 1421 N LYS A 89 10.351 12.755 -2.540 1.00 0.69 N ATOM 1422 CA LYS A 89 10.090 14.149 -2.183 1.00 0.81 C ATOM 1423 C LYS A 89 8.845 14.268 -1.304 1.00 0.85 C ATOM 1424 O LYS A 89 8.867 14.944 -0.281 1.00 0.96 O ATOM 1425 CB LYS A 89 9.887 15.005 -3.434 1.00 0.82 C ATOM 1426 CG LYS A 89 11.193 15.322 -4.167 1.00 1.49 C ATOM 1427 CD LYS A 89 10.820 16.201 -5.364 1.00 1.58 C ATOM 1428 CE LYS A 89 12.036 16.595 -6.207 1.00 2.53 C ATOM 1429 NZ LYS A 89 11.614 17.352 -7.404 1.00 2.98 N ATOM 0 H LYS A 89 10.323 12.570 -3.543 1.00 0.69 H new ATOM 0 HA LYS A 89 10.960 14.506 -1.632 1.00 0.81 H new ATOM 0 HB2 LYS A 89 9.212 14.487 -4.115 1.00 0.82 H new ATOM 0 HB3 LYS A 89 9.400 15.939 -3.152 1.00 0.82 H new ATOM 0 HG2 LYS A 89 11.891 15.839 -3.509 1.00 1.49 H new ATOM 0 HG3 LYS A 89 11.684 14.407 -4.497 1.00 1.49 H new ATOM 0 HD2 LYS A 89 10.104 15.669 -5.991 1.00 1.58 H new ATOM 0 HD3 LYS A 89 10.323 17.103 -5.007 1.00 1.58 H new ATOM 0 HE2 LYS A 89 12.719 17.199 -5.610 1.00 2.53 H new ATOM 0 HE3 LYS A 89 12.582 15.701 -6.509 1.00 2.53 H new ATOM 0 HZ1 LYS A 89 12.419 17.450 -8.055 1.00 2.98 H new ATOM 0 HZ2 LYS A 89 10.842 16.844 -7.882 1.00 2.98 H new ATOM 0 HZ3 LYS A 89 11.283 18.296 -7.119 1.00 2.98 H new ATOM 1443 N PHE A 90 7.747 13.629 -1.699 1.00 0.78 N ATOM 1444 CA PHE A 90 6.478 13.698 -0.992 1.00 0.81 C ATOM 1445 C PHE A 90 6.657 13.262 0.462 1.00 0.83 C ATOM 1446 O PHE A 90 6.075 13.834 1.381 1.00 0.85 O ATOM 1447 CB PHE A 90 5.465 12.814 -1.716 1.00 0.79 C ATOM 1448 CG PHE A 90 4.088 12.812 -1.098 1.00 0.75 C ATOM 1449 CD1 PHE A 90 3.246 13.921 -1.285 1.00 2.07 C ATOM 1450 CD2 PHE A 90 3.610 11.668 -0.434 1.00 2.05 C ATOM 1451 CE1 PHE A 90 1.895 13.835 -0.921 1.00 2.34 C ATOM 1452 CE2 PHE A 90 2.245 11.566 -0.120 1.00 1.88 C ATOM 1453 CZ PHE A 90 1.380 12.631 -0.413 1.00 1.06 C ATOM 0 H PHE A 90 7.717 13.041 -2.532 1.00 0.78 H new ATOM 0 HA PHE A 90 6.111 14.724 -0.982 1.00 0.81 H new ATOM 0 HB2 PHE A 90 5.385 13.146 -2.751 1.00 0.79 H new ATOM 0 HB3 PHE A 90 5.842 11.792 -1.737 1.00 0.79 H new ATOM 0 HD1 PHE A 90 3.637 14.835 -1.707 1.00 2.07 H new ATOM 0 HD2 PHE A 90 4.289 10.872 -0.167 1.00 2.05 H new ATOM 0 HE1 PHE A 90 1.250 14.694 -1.031 1.00 2.34 H new ATOM 0 HE2 PHE A 90 1.862 10.670 0.346 1.00 1.88 H new ATOM 0 HZ PHE A 90 0.318 12.525 -0.248 1.00 1.06 H new ATOM 1463 N ALA A 91 7.514 12.268 0.676 1.00 0.86 N ATOM 1464 CA ALA A 91 7.836 11.754 1.993 1.00 0.95 C ATOM 1465 C ALA A 91 8.677 12.735 2.816 1.00 1.05 C ATOM 1466 O ALA A 91 8.816 12.578 4.024 1.00 1.41 O ATOM 1467 CB ALA A 91 8.611 10.457 1.800 1.00 0.91 C ATOM 0 H ALA A 91 8.010 11.792 -0.078 1.00 0.86 H new ATOM 0 HA ALA A 91 6.910 11.595 2.545 1.00 0.95 H new ATOM 0 HB1 ALA A 91 8.871 10.040 2.773 1.00 0.91 H new ATOM 0 HB2 ALA A 91 7.995 9.743 1.252 1.00 0.91 H new ATOM 0 HB3 ALA A 91 9.522 10.658 1.236 1.00 0.91 H new ATOM 1473 N ALA A 92 9.280 13.734 2.172 1.00 0.87 N ATOM 1474 CA ALA A 92 9.840 14.883 2.863 1.00 0.90 C ATOM 1475 C ALA A 92 8.724 15.802 3.375 1.00 0.81 C ATOM 1476 O ALA A 92 8.942 16.571 4.307 1.00 0.89 O ATOM 1477 CB ALA A 92 10.790 15.624 1.922 1.00 0.96 C ATOM 0 H ALA A 92 9.391 13.765 1.159 1.00 0.87 H new ATOM 0 HA ALA A 92 10.405 14.546 3.733 1.00 0.90 H new ATOM 0 HB1 ALA A 92 11.212 16.487 2.437 1.00 0.96 H new ATOM 0 HB2 ALA A 92 11.594 14.955 1.616 1.00 0.96 H new ATOM 0 HB3 ALA A 92 10.242 15.959 1.042 1.00 0.96 H new ATOM 1483 N ASN A 93 7.544 15.757 2.741 1.00 0.72 N ATOM 1484 CA ASN A 93 6.425 16.642 3.057 1.00 0.70 C ATOM 1485 C ASN A 93 5.544 15.995 4.121 1.00 0.67 C ATOM 1486 O ASN A 93 5.335 16.576 5.181 1.00 0.72 O ATOM 1487 CB ASN A 93 5.608 17.005 1.805 1.00 0.77 C ATOM 1488 CG ASN A 93 6.442 17.629 0.689 1.00 0.91 C ATOM 1489 OD1 ASN A 93 6.345 17.227 -0.465 1.00 2.10 O ATOM 1490 ND2 ASN A 93 7.260 18.632 1.005 1.00 2.07 N ATOM 0 H ASN A 93 7.342 15.098 1.989 1.00 0.72 H new ATOM 0 HA ASN A 93 6.828 17.576 3.448 1.00 0.70 H new ATOM 0 HB2 ASN A 93 5.123 16.106 1.425 1.00 0.77 H new ATOM 0 HB3 ASN A 93 4.816 17.699 2.087 1.00 0.77 H new ATOM 0 HD21 ASN A 93 7.820 19.081 0.280 1.00 2.07 H new ATOM 0 HD22 ASN A 93 7.326 18.951 1.972 1.00 2.07 H new ATOM 1497 N TYR A 94 5.043 14.785 3.856 1.00 0.69 N ATOM 1498 CA TYR A 94 4.452 13.951 4.896 1.00 0.77 C ATOM 1499 C TYR A 94 5.589 13.504 5.816 1.00 0.86 C ATOM 1500 O TYR A 94 6.440 12.750 5.353 1.00 1.00 O ATOM 1501 CB TYR A 94 3.743 12.754 4.270 1.00 0.83 C ATOM 1502 CG TYR A 94 2.318 13.106 3.921 1.00 0.79 C ATOM 1503 CD1 TYR A 94 2.014 13.677 2.677 1.00 1.61 C ATOM 1504 CD2 TYR A 94 1.319 12.987 4.902 1.00 2.08 C ATOM 1505 CE1 TYR A 94 0.692 14.046 2.382 1.00 1.50 C ATOM 1506 CE2 TYR A 94 -0.003 13.349 4.599 1.00 2.19 C ATOM 1507 CZ TYR A 94 -0.326 13.855 3.331 1.00 0.90 C ATOM 1508 OH TYR A 94 -1.639 14.037 3.007 1.00 1.09 O ATOM 0 H TYR A 94 5.037 14.364 2.927 1.00 0.69 H new ATOM 0 HA TYR A 94 3.705 14.503 5.466 1.00 0.77 H new ATOM 0 HB2 TYR A 94 4.275 12.437 3.373 1.00 0.83 H new ATOM 0 HB3 TYR A 94 3.757 11.913 4.963 1.00 0.83 H new ATOM 0 HD1 TYR A 94 2.795 13.833 1.947 1.00 1.61 H new ATOM 0 HD2 TYR A 94 1.568 12.618 5.886 1.00 2.08 H new ATOM 0 HE1 TYR A 94 0.457 14.479 1.421 1.00 1.50 H new ATOM 0 HE2 TYR A 94 -0.775 13.237 5.346 1.00 2.19 H new ATOM 0 HH TYR A 94 -1.734 14.066 2.032 1.00 1.09 H new ATOM 1518 N PRO A 95 5.660 13.968 7.073 1.00 0.95 N ATOM 1519 CA PRO A 95 6.867 13.867 7.883 1.00 1.14 C ATOM 1520 C PRO A 95 7.066 12.434 8.384 1.00 1.08 C ATOM 1521 O PRO A 95 6.796 12.138 9.547 1.00 1.25 O ATOM 1522 CB PRO A 95 6.655 14.873 9.021 1.00 1.39 C ATOM 1523 CG PRO A 95 5.138 14.866 9.211 1.00 1.32 C ATOM 1524 CD PRO A 95 4.627 14.713 7.778 1.00 1.05 C ATOM 0 HA PRO A 95 7.775 14.096 7.326 1.00 1.14 H new ATOM 0 HB2 PRO A 95 7.176 14.570 9.929 1.00 1.39 H new ATOM 0 HB3 PRO A 95 7.024 15.864 8.757 1.00 1.39 H new ATOM 0 HG2 PRO A 95 4.812 14.044 9.848 1.00 1.32 H new ATOM 0 HG3 PRO A 95 4.782 15.787 9.673 1.00 1.32 H new ATOM 0 HD2 PRO A 95 3.676 14.182 7.755 1.00 1.05 H new ATOM 0 HD3 PRO A 95 4.460 15.686 7.315 1.00 1.05 H new ATOM 1532 N LEU A 96 7.522 11.537 7.505 1.00 0.95 N ATOM 1533 CA LEU A 96 7.620 10.118 7.802 1.00 0.80 C ATOM 1534 C LEU A 96 9.035 9.660 8.128 1.00 0.86 C ATOM 1535 O LEU A 96 10.018 10.133 7.559 1.00 1.31 O ATOM 1536 CB LEU A 96 6.981 9.290 6.683 1.00 0.78 C ATOM 1537 CG LEU A 96 7.635 9.321 5.293 1.00 0.94 C ATOM 1538 CD1 LEU A 96 8.724 8.248 5.150 1.00 1.02 C ATOM 1539 CD2 LEU A 96 6.528 9.046 4.267 1.00 0.94 C ATOM 0 H LEU A 96 7.833 11.783 6.565 1.00 0.95 H new ATOM 0 HA LEU A 96 7.055 9.946 8.718 1.00 0.80 H new ATOM 0 HB2 LEU A 96 6.950 8.252 7.013 1.00 0.78 H new ATOM 0 HB3 LEU A 96 5.948 9.620 6.573 1.00 0.78 H new ATOM 0 HG LEU A 96 8.108 10.291 5.139 1.00 0.94 H new ATOM 0 HD11 LEU A 96 9.161 8.304 4.153 1.00 1.02 H new ATOM 0 HD12 LEU A 96 9.500 8.416 5.897 1.00 1.02 H new ATOM 0 HD13 LEU A 96 8.285 7.262 5.299 1.00 1.02 H new ATOM 0 HD21 LEU A 96 6.951 9.059 3.263 1.00 0.94 H new ATOM 0 HD22 LEU A 96 6.086 8.069 4.462 1.00 0.94 H new ATOM 0 HD23 LEU A 96 5.759 9.814 4.347 1.00 0.94 H new ATOM 1551 N SER A 97 9.120 8.693 9.039 1.00 0.96 N ATOM 1552 CA SER A 97 10.335 7.971 9.355 1.00 1.32 C ATOM 1553 C SER A 97 10.554 6.902 8.279 1.00 0.99 C ATOM 1554 O SER A 97 9.826 5.912 8.228 1.00 1.02 O ATOM 1555 CB SER A 97 10.207 7.349 10.757 1.00 1.73 C ATOM 1556 OG SER A 97 9.164 7.960 11.499 1.00 3.37 O ATOM 0 H SER A 97 8.318 8.387 9.590 1.00 0.96 H new ATOM 0 HA SER A 97 11.197 8.638 9.365 1.00 1.32 H new ATOM 0 HB2 SER A 97 10.014 6.280 10.667 1.00 1.73 H new ATOM 0 HB3 SER A 97 11.150 7.458 11.293 1.00 1.73 H new ATOM 0 HG SER A 97 8.534 7.274 11.804 1.00 3.37 H new ATOM 1562 N PHE A 98 11.564 7.094 7.430 1.00 0.85 N ATOM 1563 CA PHE A 98 11.985 6.103 6.440 1.00 0.72 C ATOM 1564 C PHE A 98 12.415 4.808 7.150 1.00 0.56 C ATOM 1565 O PHE A 98 12.180 3.712 6.646 1.00 0.49 O ATOM 1566 CB PHE A 98 13.132 6.671 5.589 1.00 0.97 C ATOM 1567 CG PHE A 98 12.746 7.743 4.575 1.00 1.03 C ATOM 1568 CD1 PHE A 98 12.212 8.985 4.981 1.00 2.50 C ATOM 1569 CD2 PHE A 98 13.003 7.524 3.208 1.00 1.54 C ATOM 1570 CE1 PHE A 98 11.851 9.953 4.028 1.00 2.47 C ATOM 1571 CE2 PHE A 98 12.704 8.521 2.264 1.00 1.69 C ATOM 1572 CZ PHE A 98 12.100 9.724 2.666 1.00 1.20 C ATOM 0 H PHE A 98 12.118 7.950 7.410 1.00 0.85 H new ATOM 0 HA PHE A 98 11.150 5.871 5.779 1.00 0.72 H new ATOM 0 HB2 PHE A 98 13.884 7.087 6.260 1.00 0.97 H new ATOM 0 HB3 PHE A 98 13.604 5.847 5.054 1.00 0.97 H new ATOM 0 HD1 PHE A 98 12.080 9.193 6.032 1.00 2.50 H new ATOM 0 HD2 PHE A 98 13.431 6.587 2.884 1.00 1.54 H new ATOM 0 HE1 PHE A 98 11.382 10.873 4.344 1.00 2.47 H new ATOM 0 HE2 PHE A 98 12.940 8.361 1.222 1.00 1.69 H new ATOM 0 HZ PHE A 98 11.829 10.468 1.931 1.00 1.20 H new ATOM 1582 N ASP A 99 13.027 4.995 8.329 1.00 0.66 N ATOM 1583 CA ASP A 99 13.413 4.058 9.381 1.00 0.73 C ATOM 1584 C ASP A 99 13.026 2.606 9.095 1.00 0.63 C ATOM 1585 O ASP A 99 13.891 1.747 8.948 1.00 0.69 O ATOM 1586 CB ASP A 99 12.881 4.627 10.719 1.00 1.03 C ATOM 1587 CG ASP A 99 12.127 3.655 11.615 1.00 1.31 C ATOM 1588 OD1 ASP A 99 10.919 3.440 11.362 1.00 2.28 O ATOM 1589 OD2 ASP A 99 12.701 3.150 12.603 1.00 2.50 O ATOM 0 H ASP A 99 13.297 5.941 8.597 1.00 0.66 H new ATOM 0 HA ASP A 99 14.499 3.983 9.435 1.00 0.73 H new ATOM 0 HB2 ASP A 99 13.726 5.025 11.281 1.00 1.03 H new ATOM 0 HB3 ASP A 99 12.223 5.467 10.496 1.00 1.03 H new ATOM 1594 N ASN A 100 11.725 2.344 9.025 1.00 0.58 N ATOM 1595 CA ASN A 100 11.186 1.004 8.872 1.00 0.55 C ATOM 1596 C ASN A 100 9.945 1.078 7.986 1.00 0.52 C ATOM 1597 O ASN A 100 8.878 0.566 8.336 1.00 0.61 O ATOM 1598 CB ASN A 100 10.913 0.496 10.288 1.00 0.67 C ATOM 1599 CG ASN A 100 10.729 -1.006 10.377 1.00 0.93 C ATOM 1600 OD1 ASN A 100 11.655 -1.737 10.715 1.00 1.76 O ATOM 1601 ND2 ASN A 100 9.520 -1.468 10.124 1.00 0.73 N ATOM 0 H ASN A 100 11.009 3.068 9.074 1.00 0.58 H new ATOM 0 HA ASN A 100 11.863 0.306 8.379 1.00 0.55 H new ATOM 0 HB2 ASN A 100 11.740 0.790 10.935 1.00 0.67 H new ATOM 0 HB3 ASN A 100 10.018 0.985 10.673 1.00 0.67 H new ATOM 0 HD21 ASN A 100 9.328 -2.466 10.207 1.00 0.73 H new ATOM 0 HD22 ASN A 100 8.777 -0.827 9.846 1.00 0.73 H new ATOM 1608 N TRP A 101 10.128 1.696 6.813 1.00 0.46 N ATOM 1609 CA TRP A 101 9.107 1.904 5.792 1.00 0.46 C ATOM 1610 C TRP A 101 9.716 1.671 4.409 1.00 0.48 C ATOM 1611 O TRP A 101 10.678 2.343 4.042 1.00 0.66 O ATOM 1612 CB TRP A 101 8.578 3.336 5.916 1.00 0.45 C ATOM 1613 CG TRP A 101 7.311 3.706 5.197 1.00 0.44 C ATOM 1614 CD1 TRP A 101 6.787 3.161 4.073 1.00 0.47 C ATOM 1615 CD2 TRP A 101 6.351 4.710 5.624 1.00 0.47 C ATOM 1616 NE1 TRP A 101 5.563 3.737 3.803 1.00 0.52 N ATOM 1617 CE2 TRP A 101 5.245 4.704 4.731 1.00 0.51 C ATOM 1618 CE3 TRP A 101 6.306 5.620 6.696 1.00 0.53 C ATOM 1619 CZ2 TRP A 101 4.143 5.551 4.906 1.00 0.61 C ATOM 1620 CZ3 TRP A 101 5.177 6.427 6.918 1.00 0.60 C ATOM 1621 CH2 TRP A 101 4.108 6.415 6.012 1.00 0.65 C ATOM 0 H TRP A 101 11.034 2.080 6.543 1.00 0.46 H new ATOM 0 HA TRP A 101 8.283 1.203 5.927 1.00 0.46 H new ATOM 0 HB2 TRP A 101 8.428 3.541 6.976 1.00 0.45 H new ATOM 0 HB3 TRP A 101 9.362 4.009 5.569 1.00 0.45 H new ATOM 0 HD1 TRP A 101 7.257 2.392 3.478 1.00 0.47 H new ATOM 0 HE1 TRP A 101 4.968 3.479 3.015 1.00 0.52 H new ATOM 0 HE3 TRP A 101 7.154 5.700 7.360 1.00 0.53 H new ATOM 0 HZ2 TRP A 101 3.328 5.539 4.197 1.00 0.61 H new ATOM 0 HZ3 TRP A 101 5.133 7.060 7.792 1.00 0.60 H new ATOM 0 HH2 TRP A 101 3.261 7.068 6.164 1.00 0.65 H new ATOM 1632 N ASP A 102 9.151 0.738 3.635 1.00 0.37 N ATOM 1633 CA ASP A 102 9.634 0.396 2.303 1.00 0.40 C ATOM 1634 C ASP A 102 8.700 0.975 1.232 1.00 0.38 C ATOM 1635 O ASP A 102 7.703 0.356 0.855 1.00 0.44 O ATOM 1636 CB ASP A 102 9.782 -1.131 2.180 1.00 0.45 C ATOM 1637 CG ASP A 102 11.219 -1.608 2.325 1.00 0.59 C ATOM 1638 OD1 ASP A 102 12.065 -1.122 1.543 1.00 1.72 O ATOM 1639 OD2 ASP A 102 11.444 -2.491 3.186 1.00 1.35 O ATOM 0 H ASP A 102 8.337 0.196 3.924 1.00 0.37 H new ATOM 0 HA ASP A 102 10.617 0.839 2.145 1.00 0.40 H new ATOM 0 HB2 ASP A 102 9.168 -1.611 2.942 1.00 0.45 H new ATOM 0 HB3 ASP A 102 9.396 -1.450 1.212 1.00 0.45 H new ATOM 1644 N PHE A 103 9.039 2.149 0.690 1.00 0.39 N ATOM 1645 CA PHE A 103 8.370 2.663 -0.493 1.00 0.43 C ATOM 1646 C PHE A 103 8.915 1.909 -1.700 1.00 0.50 C ATOM 1647 O PHE A 103 10.044 2.163 -2.127 1.00 0.56 O ATOM 1648 CB PHE A 103 8.588 4.168 -0.640 1.00 0.48 C ATOM 1649 CG PHE A 103 7.671 4.999 0.227 1.00 0.42 C ATOM 1650 CD1 PHE A 103 6.377 5.314 -0.231 1.00 1.93 C ATOM 1651 CD2 PHE A 103 8.074 5.394 1.516 1.00 1.78 C ATOM 1652 CE1 PHE A 103 5.498 6.042 0.587 1.00 2.06 C ATOM 1653 CE2 PHE A 103 7.196 6.132 2.327 1.00 1.71 C ATOM 1654 CZ PHE A 103 5.911 6.459 1.862 1.00 0.67 C ATOM 0 H PHE A 103 9.773 2.755 1.057 1.00 0.39 H new ATOM 0 HA PHE A 103 7.294 2.510 -0.410 1.00 0.43 H new ATOM 0 HB2 PHE A 103 9.623 4.403 -0.390 1.00 0.48 H new ATOM 0 HB3 PHE A 103 8.441 4.448 -1.683 1.00 0.48 H new ATOM 0 HD1 PHE A 103 6.060 4.995 -1.213 1.00 1.93 H new ATOM 0 HD2 PHE A 103 9.056 5.130 1.881 1.00 1.78 H new ATOM 0 HE1 PHE A 103 4.505 6.281 0.235 1.00 2.06 H new ATOM 0 HE2 PHE A 103 7.510 6.449 3.311 1.00 1.71 H new ATOM 0 HZ PHE A 103 5.241 7.032 2.486 1.00 0.67 H new ATOM 1664 N LEU A 104 8.126 0.963 -2.213 1.00 0.57 N ATOM 1665 CA LEU A 104 8.503 0.104 -3.323 1.00 0.60 C ATOM 1666 C LEU A 104 8.178 0.784 -4.646 1.00 0.63 C ATOM 1667 O LEU A 104 7.305 1.649 -4.700 1.00 0.79 O ATOM 1668 CB LEU A 104 7.880 -1.290 -3.188 1.00 0.62 C ATOM 1669 CG LEU A 104 8.217 -1.968 -1.848 1.00 0.61 C ATOM 1670 CD1 LEU A 104 7.749 -3.423 -1.888 1.00 0.64 C ATOM 1671 CD2 LEU A 104 9.716 -1.940 -1.531 1.00 0.63 C ATOM 0 H LEU A 104 7.189 0.774 -1.857 1.00 0.57 H new ATOM 0 HA LEU A 104 9.581 -0.053 -3.302 1.00 0.60 H new ATOM 0 HB2 LEU A 104 6.797 -1.210 -3.287 1.00 0.62 H new ATOM 0 HB3 LEU A 104 8.229 -1.920 -4.006 1.00 0.62 H new ATOM 0 HG LEU A 104 7.703 -1.409 -1.066 1.00 0.61 H new ATOM 0 HD11 LEU A 104 7.986 -3.907 -0.941 1.00 0.64 H new ATOM 0 HD12 LEU A 104 6.672 -3.454 -2.053 1.00 0.64 H new ATOM 0 HD13 LEU A 104 8.255 -3.946 -2.699 1.00 0.64 H new ATOM 0 HD21 LEU A 104 9.895 -2.432 -0.575 1.00 0.63 H new ATOM 0 HD22 LEU A 104 10.264 -2.462 -2.316 1.00 0.63 H new ATOM 0 HD23 LEU A 104 10.057 -0.906 -1.477 1.00 0.63 H new ATOM 1683 N THR A 105 8.880 0.412 -5.718 1.00 0.56 N ATOM 1684 CA THR A 105 8.502 0.875 -7.039 1.00 0.54 C ATOM 1685 C THR A 105 7.281 0.062 -7.497 1.00 0.64 C ATOM 1686 O THR A 105 6.163 0.287 -7.038 1.00 1.25 O ATOM 1687 CB THR A 105 9.713 0.808 -7.989 1.00 0.50 C ATOM 1688 OG1 THR A 105 10.205 -0.516 -8.074 1.00 0.54 O ATOM 1689 CG2 THR A 105 10.842 1.724 -7.500 1.00 0.61 C ATOM 0 H THR A 105 9.697 -0.198 -5.692 1.00 0.56 H new ATOM 0 HA THR A 105 8.205 1.924 -7.035 1.00 0.54 H new ATOM 0 HB THR A 105 9.379 1.139 -8.972 1.00 0.50 H new ATOM 0 HG1 THR A 105 10.732 -0.721 -7.274 1.00 0.54 H new ATOM 0 HG21 THR A 105 11.686 1.660 -8.187 1.00 0.61 H new ATOM 0 HG22 THR A 105 10.484 2.753 -7.460 1.00 0.61 H new ATOM 0 HG23 THR A 105 11.159 1.411 -6.505 1.00 0.61 H new ATOM 1697 N GLY A 106 7.522 -0.908 -8.378 1.00 0.55 N ATOM 1698 CA GLY A 106 6.519 -1.638 -9.144 1.00 0.74 C ATOM 1699 C GLY A 106 6.755 -1.482 -10.648 1.00 0.70 C ATOM 1700 O GLY A 106 6.219 -2.245 -11.443 1.00 0.94 O ATOM 0 H GLY A 106 8.471 -1.220 -8.585 1.00 0.55 H new ATOM 0 HA2 GLY A 106 6.549 -2.694 -8.875 1.00 0.74 H new ATOM 0 HA3 GLY A 106 5.524 -1.272 -8.889 1.00 0.74 H new ATOM 1704 N TYR A 107 7.554 -0.480 -11.027 1.00 0.66 N ATOM 1705 CA TYR A 107 7.860 -0.115 -12.394 1.00 0.72 C ATOM 1706 C TYR A 107 6.569 0.200 -13.155 1.00 0.81 C ATOM 1707 O TYR A 107 5.534 0.487 -12.551 1.00 1.10 O ATOM 1708 CB TYR A 107 8.732 -1.210 -13.035 1.00 0.97 C ATOM 1709 CG TYR A 107 9.579 -0.783 -14.221 1.00 1.32 C ATOM 1710 CD1 TYR A 107 10.547 0.227 -14.071 1.00 1.85 C ATOM 1711 CD2 TYR A 107 9.437 -1.433 -15.462 1.00 2.59 C ATOM 1712 CE1 TYR A 107 11.334 0.617 -15.167 1.00 2.12 C ATOM 1713 CE2 TYR A 107 10.225 -1.043 -16.558 1.00 2.99 C ATOM 1714 CZ TYR A 107 11.172 -0.016 -16.410 1.00 2.24 C ATOM 1715 OH TYR A 107 11.954 0.354 -17.463 1.00 2.72 O ATOM 0 H TYR A 107 8.022 0.121 -10.349 1.00 0.66 H new ATOM 0 HA TYR A 107 8.450 0.801 -12.431 1.00 0.72 H new ATOM 0 HB2 TYR A 107 9.394 -1.613 -12.269 1.00 0.97 H new ATOM 0 HB3 TYR A 107 8.081 -2.024 -13.354 1.00 0.97 H new ATOM 0 HD1 TYR A 107 10.685 0.703 -13.112 1.00 1.85 H new ATOM 0 HD2 TYR A 107 8.720 -2.234 -15.572 1.00 2.59 H new ATOM 0 HE1 TYR A 107 12.064 1.404 -15.054 1.00 2.12 H new ATOM 0 HE2 TYR A 107 10.103 -1.532 -17.513 1.00 2.99 H new ATOM 0 HH TYR A 107 11.718 -0.180 -18.250 1.00 2.72 H new ATOM 1725 N SER A 108 6.647 0.204 -14.481 1.00 0.98 N ATOM 1726 CA SER A 108 5.531 0.446 -15.367 1.00 1.06 C ATOM 1727 C SER A 108 4.319 -0.405 -14.981 1.00 0.82 C ATOM 1728 O SER A 108 4.487 -1.535 -14.518 1.00 0.70 O ATOM 1729 CB SER A 108 5.999 0.121 -16.786 1.00 1.33 C ATOM 1730 OG SER A 108 7.303 0.646 -16.979 1.00 2.26 O ATOM 0 H SER A 108 7.521 0.032 -14.978 1.00 0.98 H new ATOM 0 HA SER A 108 5.213 1.486 -15.297 1.00 1.06 H new ATOM 0 HB2 SER A 108 6.001 -0.958 -16.943 1.00 1.33 H new ATOM 0 HB3 SER A 108 5.311 0.548 -17.515 1.00 1.33 H new ATOM 0 HG SER A 108 7.965 -0.062 -16.835 1.00 2.26 H new ATOM 1736 N GLN A 109 3.109 0.109 -15.230 1.00 0.98 N ATOM 1737 CA GLN A 109 1.853 -0.608 -15.046 1.00 0.98 C ATOM 1738 C GLN A 109 1.989 -2.045 -15.543 1.00 0.83 C ATOM 1739 O GLN A 109 1.635 -2.979 -14.833 1.00 0.82 O ATOM 1740 CB GLN A 109 0.712 0.118 -15.779 1.00 1.32 C ATOM 1741 CG GLN A 109 0.482 1.587 -15.382 1.00 1.63 C ATOM 1742 CD GLN A 109 0.058 1.743 -13.930 1.00 2.28 C ATOM 1743 OE1 GLN A 109 0.979 1.517 -13.002 1.00 3.20 O flip ATOM 1744 NE2 GLN A 109 -1.098 2.023 -13.622 1.00 2.40 N flip ATOM 0 H GLN A 109 2.979 1.060 -15.574 1.00 0.98 H new ATOM 0 HA GLN A 109 1.614 -0.634 -13.983 1.00 0.98 H new ATOM 0 HB2 GLN A 109 0.912 0.079 -16.850 1.00 1.32 H new ATOM 0 HB3 GLN A 109 -0.212 -0.433 -15.607 1.00 1.32 H new ATOM 0 HG2 GLN A 109 1.398 2.153 -15.551 1.00 1.63 H new ATOM 0 HG3 GLN A 109 -0.283 2.018 -16.028 1.00 1.63 H new ATOM 0 HE21 GLN A 109 -1.793 2.194 -14.349 1.00 2.40 H new ATOM 0 HE22 GLN A 109 -1.363 2.085 -12.639 1.00 2.40 H new ATOM 1753 N SER A 110 2.559 -2.199 -16.741 1.00 0.95 N ATOM 1754 CA SER A 110 2.816 -3.483 -17.381 1.00 1.06 C ATOM 1755 C SER A 110 3.414 -4.516 -16.411 1.00 0.98 C ATOM 1756 O SER A 110 2.985 -5.665 -16.401 1.00 1.12 O ATOM 1757 CB SER A 110 3.724 -3.259 -18.598 1.00 1.41 C ATOM 1758 OG SER A 110 3.769 -4.411 -19.414 1.00 1.99 O ATOM 0 H SER A 110 2.862 -1.406 -17.306 1.00 0.95 H new ATOM 0 HA SER A 110 1.865 -3.903 -17.708 1.00 1.06 H new ATOM 0 HB2 SER A 110 3.358 -2.412 -19.178 1.00 1.41 H new ATOM 0 HB3 SER A 110 4.730 -3.006 -18.264 1.00 1.41 H new ATOM 0 HG SER A 110 4.352 -4.244 -20.184 1.00 1.99 H new ATOM 1764 N GLU A 111 4.407 -4.121 -15.604 1.00 0.89 N ATOM 1765 CA GLU A 111 5.073 -4.995 -14.677 1.00 0.98 C ATOM 1766 C GLU A 111 4.125 -5.344 -13.525 1.00 0.97 C ATOM 1767 O GLU A 111 3.776 -6.503 -13.311 1.00 1.27 O ATOM 1768 CB GLU A 111 6.353 -4.275 -14.218 1.00 0.99 C ATOM 1769 CG GLU A 111 7.192 -5.231 -13.386 1.00 1.49 C ATOM 1770 CD GLU A 111 8.569 -4.671 -13.051 1.00 2.41 C ATOM 1771 OE1 GLU A 111 9.303 -4.375 -14.017 1.00 3.28 O ATOM 1772 OE2 GLU A 111 8.863 -4.550 -11.842 1.00 3.48 O ATOM 0 H GLU A 111 4.764 -3.165 -15.590 1.00 0.89 H new ATOM 0 HA GLU A 111 5.353 -5.945 -15.131 1.00 0.98 H new ATOM 0 HB2 GLU A 111 6.921 -3.931 -15.082 1.00 0.99 H new ATOM 0 HB3 GLU A 111 6.098 -3.392 -13.632 1.00 0.99 H new ATOM 0 HG2 GLU A 111 6.663 -5.460 -12.461 1.00 1.49 H new ATOM 0 HG3 GLU A 111 7.309 -6.170 -13.927 1.00 1.49 H new ATOM 1779 N ILE A 112 3.732 -4.331 -12.752 1.00 0.85 N ATOM 1780 CA ILE A 112 3.016 -4.542 -11.501 1.00 1.16 C ATOM 1781 C ILE A 112 1.561 -5.017 -11.683 1.00 1.13 C ATOM 1782 O ILE A 112 1.001 -5.577 -10.740 1.00 1.25 O ATOM 1783 CB ILE A 112 3.189 -3.331 -10.577 1.00 1.41 C ATOM 1784 CG1 ILE A 112 2.560 -3.611 -9.204 1.00 1.90 C ATOM 1785 CG2 ILE A 112 2.711 -2.012 -11.196 1.00 1.34 C ATOM 1786 CD1 ILE A 112 3.429 -3.094 -8.070 1.00 1.73 C ATOM 0 H ILE A 112 3.901 -3.350 -12.976 1.00 0.85 H new ATOM 0 HA ILE A 112 3.476 -5.391 -10.994 1.00 1.16 H new ATOM 0 HB ILE A 112 4.260 -3.187 -10.433 1.00 1.41 H new ATOM 0 HG12 ILE A 112 1.577 -3.142 -9.152 1.00 1.90 H new ATOM 0 HG13 ILE A 112 2.408 -4.684 -9.086 1.00 1.90 H new ATOM 0 HG21 ILE A 112 2.864 -1.200 -10.485 1.00 1.34 H new ATOM 0 HG22 ILE A 112 3.277 -1.810 -12.105 1.00 1.34 H new ATOM 0 HG23 ILE A 112 1.651 -2.087 -11.438 1.00 1.34 H new ATOM 0 HD11 ILE A 112 2.949 -3.312 -7.116 1.00 1.73 H new ATOM 0 HD12 ILE A 112 4.403 -3.582 -8.106 1.00 1.73 H new ATOM 0 HD13 ILE A 112 3.559 -2.017 -8.173 1.00 1.73 H new ATOM 1798 N GLU A 113 0.944 -4.805 -12.857 1.00 1.02 N ATOM 1799 CA GLU A 113 -0.455 -5.129 -13.153 1.00 0.98 C ATOM 1800 C GLU A 113 -0.915 -6.411 -12.456 1.00 0.90 C ATOM 1801 O GLU A 113 -1.741 -6.350 -11.548 1.00 0.82 O ATOM 1802 CB GLU A 113 -0.675 -5.170 -14.678 1.00 1.15 C ATOM 1803 CG GLU A 113 -2.135 -5.408 -15.103 1.00 2.08 C ATOM 1804 CD GLU A 113 -2.560 -6.871 -15.035 1.00 3.70 C ATOM 1805 OE1 GLU A 113 -1.790 -7.709 -15.545 1.00 4.31 O ATOM 1806 OE2 GLU A 113 -3.645 -7.120 -14.470 1.00 5.03 O ATOM 0 H GLU A 113 1.426 -4.388 -13.653 1.00 1.02 H new ATOM 0 HA GLU A 113 -1.083 -4.337 -12.745 1.00 0.98 H new ATOM 0 HB2 GLU A 113 -0.333 -4.228 -15.108 1.00 1.15 H new ATOM 0 HB3 GLU A 113 -0.053 -5.958 -15.102 1.00 1.15 H new ATOM 0 HG2 GLU A 113 -2.792 -4.818 -14.464 1.00 2.08 H new ATOM 0 HG3 GLU A 113 -2.272 -5.046 -16.122 1.00 2.08 H new ATOM 1813 N GLU A 114 -0.360 -7.559 -12.847 1.00 1.02 N ATOM 1814 CA GLU A 114 -0.829 -8.859 -12.389 1.00 1.06 C ATOM 1815 C GLU A 114 -0.780 -8.952 -10.865 1.00 0.97 C ATOM 1816 O GLU A 114 -1.751 -9.363 -10.221 1.00 0.97 O ATOM 1817 CB GLU A 114 -0.010 -9.956 -13.061 1.00 1.21 C ATOM 1818 CG GLU A 114 -0.592 -11.346 -12.786 1.00 1.44 C ATOM 1819 CD GLU A 114 0.265 -12.474 -13.342 1.00 1.46 C ATOM 1820 OE1 GLU A 114 1.232 -12.188 -14.076 1.00 1.69 O ATOM 1821 OE2 GLU A 114 -0.099 -13.622 -13.000 1.00 2.79 O ATOM 0 H GLU A 114 0.429 -7.609 -13.492 1.00 1.02 H new ATOM 0 HA GLU A 114 -1.873 -8.991 -12.673 1.00 1.06 H new ATOM 0 HB2 GLU A 114 0.021 -9.780 -14.136 1.00 1.21 H new ATOM 0 HB3 GLU A 114 1.018 -9.914 -12.702 1.00 1.21 H new ATOM 0 HG2 GLU A 114 -0.704 -11.480 -11.710 1.00 1.44 H new ATOM 0 HG3 GLU A 114 -1.590 -11.408 -13.221 1.00 1.44 H new ATOM 1828 N PHE A 115 0.359 -8.554 -10.288 1.00 0.95 N ATOM 1829 CA PHE A 115 0.546 -8.547 -8.849 1.00 0.92 C ATOM 1830 C PHE A 115 -0.565 -7.722 -8.205 1.00 0.76 C ATOM 1831 O PHE A 115 -1.272 -8.208 -7.326 1.00 0.75 O ATOM 1832 CB PHE A 115 1.931 -7.988 -8.494 1.00 1.01 C ATOM 1833 CG PHE A 115 2.120 -7.759 -7.003 1.00 1.14 C ATOM 1834 CD1 PHE A 115 2.174 -8.851 -6.117 1.00 2.74 C ATOM 1835 CD2 PHE A 115 2.060 -6.452 -6.485 1.00 1.43 C ATOM 1836 CE1 PHE A 115 2.127 -8.637 -4.727 1.00 2.92 C ATOM 1837 CE2 PHE A 115 2.094 -6.237 -5.100 1.00 1.45 C ATOM 1838 CZ PHE A 115 2.078 -7.328 -4.218 1.00 1.54 C ATOM 0 H PHE A 115 1.171 -8.230 -10.813 1.00 0.95 H new ATOM 0 HA PHE A 115 0.495 -9.566 -8.466 1.00 0.92 H new ATOM 0 HB2 PHE A 115 2.696 -8.678 -8.849 1.00 1.01 H new ATOM 0 HB3 PHE A 115 2.082 -7.046 -9.022 1.00 1.01 H new ATOM 0 HD1 PHE A 115 2.252 -9.856 -6.505 1.00 2.74 H new ATOM 0 HD2 PHE A 115 1.987 -5.610 -7.158 1.00 1.43 H new ATOM 0 HE1 PHE A 115 2.129 -9.479 -4.051 1.00 2.92 H new ATOM 0 HE2 PHE A 115 2.133 -5.230 -4.711 1.00 1.45 H new ATOM 0 HZ PHE A 115 2.028 -7.162 -3.152 1.00 1.54 H new ATOM 1848 N ALA A 116 -0.731 -6.479 -8.661 1.00 0.72 N ATOM 1849 CA ALA A 116 -1.724 -5.548 -8.150 1.00 0.66 C ATOM 1850 C ALA A 116 -3.143 -6.104 -8.263 1.00 0.73 C ATOM 1851 O ALA A 116 -3.960 -5.910 -7.360 1.00 0.77 O ATOM 1852 CB ALA A 116 -1.598 -4.232 -8.899 1.00 0.85 C ATOM 0 H ALA A 116 -0.163 -6.088 -9.413 1.00 0.72 H new ATOM 0 HA ALA A 116 -1.536 -5.388 -7.088 1.00 0.66 H new ATOM 0 HB1 ALA A 116 -2.339 -3.527 -8.523 1.00 0.85 H new ATOM 0 HB2 ALA A 116 -0.599 -3.823 -8.750 1.00 0.85 H new ATOM 0 HB3 ALA A 116 -1.766 -4.401 -9.963 1.00 0.85 H new ATOM 1858 N LEU A 117 -3.428 -6.772 -9.382 1.00 0.80 N ATOM 1859 CA LEU A 117 -4.710 -7.387 -9.682 1.00 0.89 C ATOM 1860 C LEU A 117 -5.019 -8.499 -8.688 1.00 0.93 C ATOM 1861 O LEU A 117 -6.116 -8.530 -8.129 1.00 0.97 O ATOM 1862 CB LEU A 117 -4.718 -7.930 -11.122 1.00 0.99 C ATOM 1863 CG LEU A 117 -5.800 -7.311 -12.021 1.00 1.11 C ATOM 1864 CD1 LEU A 117 -7.213 -7.635 -11.521 1.00 1.45 C ATOM 1865 CD2 LEU A 117 -5.608 -5.798 -12.197 1.00 1.38 C ATOM 0 H LEU A 117 -2.744 -6.901 -10.127 1.00 0.80 H new ATOM 0 HA LEU A 117 -5.486 -6.627 -9.594 1.00 0.89 H new ATOM 0 HB2 LEU A 117 -3.741 -7.751 -11.572 1.00 0.99 H new ATOM 0 HB3 LEU A 117 -4.861 -9.010 -11.091 1.00 0.99 H new ATOM 0 HG LEU A 117 -5.686 -7.769 -13.003 1.00 1.11 H new ATOM 0 HD11 LEU A 117 -7.947 -7.179 -12.185 1.00 1.45 H new ATOM 0 HD12 LEU A 117 -7.356 -8.716 -11.510 1.00 1.45 H new ATOM 0 HD13 LEU A 117 -7.341 -7.241 -10.513 1.00 1.45 H new ATOM 0 HD21 LEU A 117 -6.395 -5.404 -12.840 1.00 1.38 H new ATOM 0 HD22 LEU A 117 -5.655 -5.310 -11.224 1.00 1.38 H new ATOM 0 HD23 LEU A 117 -4.637 -5.605 -12.653 1.00 1.38 H new ATOM 1877 N LYS A 118 -4.066 -9.416 -8.479 1.00 1.01 N ATOM 1878 CA LYS A 118 -4.250 -10.484 -7.510 1.00 1.16 C ATOM 1879 C LYS A 118 -4.399 -9.868 -6.123 1.00 1.10 C ATOM 1880 O LYS A 118 -5.391 -10.095 -5.437 1.00 1.27 O ATOM 1881 CB LYS A 118 -3.068 -11.468 -7.522 1.00 1.34 C ATOM 1882 CG LYS A 118 -3.293 -12.710 -8.396 1.00 1.81 C ATOM 1883 CD LYS A 118 -2.777 -12.547 -9.830 1.00 1.79 C ATOM 1884 CE LYS A 118 -2.943 -13.889 -10.560 1.00 2.46 C ATOM 1885 NZ LYS A 118 -2.386 -13.873 -11.926 1.00 3.39 N ATOM 0 H LYS A 118 -3.170 -9.434 -8.967 1.00 1.01 H new ATOM 0 HA LYS A 118 -5.146 -11.045 -7.774 1.00 1.16 H new ATOM 0 HB2 LYS A 118 -2.178 -10.946 -7.874 1.00 1.34 H new ATOM 0 HB3 LYS A 118 -2.866 -11.788 -6.500 1.00 1.34 H new ATOM 0 HG2 LYS A 118 -2.798 -13.564 -7.935 1.00 1.81 H new ATOM 0 HG3 LYS A 118 -4.359 -12.937 -8.425 1.00 1.81 H new ATOM 0 HD2 LYS A 118 -3.332 -11.763 -10.346 1.00 1.79 H new ATOM 0 HD3 LYS A 118 -1.730 -12.245 -9.824 1.00 1.79 H new ATOM 0 HE2 LYS A 118 -2.454 -14.674 -9.983 1.00 2.46 H new ATOM 0 HE3 LYS A 118 -4.002 -14.142 -10.608 1.00 2.46 H new ATOM 0 HZ1 LYS A 118 -2.616 -14.767 -12.405 1.00 3.39 H new ATOM 0 HZ2 LYS A 118 -2.796 -13.079 -12.459 1.00 3.39 H new ATOM 0 HZ3 LYS A 118 -1.353 -13.761 -11.878 1.00 3.39 H new ATOM 1899 N SER A 119 -3.390 -9.097 -5.717 1.00 0.93 N ATOM 1900 CA SER A 119 -3.275 -8.594 -4.365 1.00 0.93 C ATOM 1901 C SER A 119 -4.482 -7.750 -3.974 1.00 1.01 C ATOM 1902 O SER A 119 -5.172 -8.062 -3.007 1.00 1.11 O ATOM 1903 CB SER A 119 -1.977 -7.792 -4.229 1.00 0.85 C ATOM 1904 OG SER A 119 -1.928 -6.724 -5.149 1.00 2.00 O ATOM 0 H SER A 119 -2.628 -8.807 -6.329 1.00 0.93 H new ATOM 0 HA SER A 119 -3.247 -9.442 -3.681 1.00 0.93 H new ATOM 0 HB2 SER A 119 -1.894 -7.403 -3.214 1.00 0.85 H new ATOM 0 HB3 SER A 119 -1.123 -8.450 -4.389 1.00 0.85 H new ATOM 0 HG SER A 119 -1.710 -7.069 -6.040 1.00 2.00 H new ATOM 1910 N PHE A 120 -4.676 -6.634 -4.678 1.00 1.09 N ATOM 1911 CA PHE A 120 -5.546 -5.562 -4.230 1.00 1.32 C ATOM 1912 C PHE A 120 -6.716 -5.346 -5.174 1.00 1.46 C ATOM 1913 O PHE A 120 -7.837 -5.459 -4.707 1.00 1.71 O ATOM 1914 CB PHE A 120 -4.734 -4.290 -3.947 1.00 1.37 C ATOM 1915 CG PHE A 120 -3.675 -4.391 -2.855 1.00 1.37 C ATOM 1916 CD1 PHE A 120 -3.713 -5.399 -1.869 1.00 2.12 C ATOM 1917 CD2 PHE A 120 -2.659 -3.418 -2.792 1.00 2.70 C ATOM 1918 CE1 PHE A 120 -2.667 -5.529 -0.941 1.00 2.11 C ATOM 1919 CE2 PHE A 120 -1.669 -3.490 -1.796 1.00 2.76 C ATOM 1920 CZ PHE A 120 -1.636 -4.582 -0.914 1.00 1.49 C ATOM 0 H PHE A 120 -4.230 -6.454 -5.577 1.00 1.09 H new ATOM 0 HA PHE A 120 -6.000 -5.856 -3.284 1.00 1.32 H new ATOM 0 HB2 PHE A 120 -4.244 -3.985 -4.871 1.00 1.37 H new ATOM 0 HB3 PHE A 120 -5.428 -3.494 -3.677 1.00 1.37 H new ATOM 0 HD1 PHE A 120 -4.553 -6.076 -1.827 1.00 2.12 H new ATOM 0 HD2 PHE A 120 -2.640 -2.613 -3.512 1.00 2.70 H new ATOM 0 HE1 PHE A 120 -2.658 -6.358 -0.249 1.00 2.11 H new ATOM 0 HE2 PHE A 120 -0.933 -2.704 -1.709 1.00 2.76 H new ATOM 0 HZ PHE A 120 -0.818 -4.691 -0.217 1.00 1.49 H new ATOM 1930 N LYS A 121 -6.517 -5.108 -6.471 1.00 1.41 N ATOM 1931 CA LYS A 121 -7.261 -4.182 -7.344 1.00 1.71 C ATOM 1932 C LYS A 121 -6.624 -2.784 -7.440 1.00 1.82 C ATOM 1933 O LYS A 121 -7.265 -1.819 -7.853 1.00 2.20 O ATOM 1934 CB LYS A 121 -8.797 -4.147 -7.113 1.00 2.18 C ATOM 1935 CG LYS A 121 -9.419 -3.013 -6.260 1.00 2.54 C ATOM 1936 CD LYS A 121 -8.865 -2.910 -4.846 1.00 2.61 C ATOM 1937 CE LYS A 121 -9.408 -1.771 -3.986 1.00 3.03 C ATOM 1938 NZ LYS A 121 -8.745 -1.755 -2.665 1.00 4.05 N ATOM 0 H LYS A 121 -5.778 -5.590 -6.982 1.00 1.41 H new ATOM 0 HA LYS A 121 -7.159 -4.624 -8.335 1.00 1.71 H new ATOM 0 HB2 LYS A 121 -9.273 -4.116 -8.093 1.00 2.18 H new ATOM 0 HB3 LYS A 121 -9.079 -5.094 -6.652 1.00 2.18 H new ATOM 0 HG2 LYS A 121 -9.259 -2.063 -6.769 1.00 2.54 H new ATOM 0 HG3 LYS A 121 -10.497 -3.167 -6.204 1.00 2.54 H new ATOM 0 HD2 LYS A 121 -9.063 -3.851 -4.332 1.00 2.61 H new ATOM 0 HD3 LYS A 121 -7.782 -2.804 -4.910 1.00 2.61 H new ATOM 0 HE2 LYS A 121 -9.248 -0.818 -4.491 1.00 3.03 H new ATOM 0 HE3 LYS A 121 -10.484 -1.886 -3.857 1.00 3.03 H new ATOM 0 HZ1 LYS A 121 -9.229 -1.077 -2.042 1.00 4.05 H new ATOM 0 HZ2 LYS A 121 -8.788 -2.705 -2.243 1.00 4.05 H new ATOM 0 HZ3 LYS A 121 -7.751 -1.472 -2.779 1.00 4.05 H new ATOM 1952 N ALA A 122 -5.326 -2.687 -7.148 1.00 1.76 N ATOM 1953 CA ALA A 122 -4.562 -1.470 -7.375 1.00 1.90 C ATOM 1954 C ALA A 122 -4.190 -1.358 -8.861 1.00 1.45 C ATOM 1955 O ALA A 122 -4.574 -2.209 -9.663 1.00 2.01 O ATOM 1956 CB ALA A 122 -3.331 -1.486 -6.462 1.00 2.20 C ATOM 0 H ALA A 122 -4.780 -3.451 -6.749 1.00 1.76 H new ATOM 0 HA ALA A 122 -5.154 -0.589 -7.129 1.00 1.90 H new ATOM 0 HB1 ALA A 122 -2.748 -0.579 -6.621 1.00 2.20 H new ATOM 0 HB2 ALA A 122 -3.651 -1.534 -5.421 1.00 2.20 H new ATOM 0 HB3 ALA A 122 -2.718 -2.357 -6.693 1.00 2.20 H new ATOM 1962 N ILE A 123 -3.414 -0.323 -9.202 1.00 2.06 N ATOM 1963 CA ILE A 123 -2.813 -0.100 -10.520 1.00 1.69 C ATOM 1964 C ILE A 123 -3.865 0.210 -11.593 1.00 1.02 C ATOM 1965 O ILE A 123 -5.063 0.030 -11.372 1.00 1.78 O ATOM 1966 CB ILE A 123 -1.845 -1.257 -10.861 1.00 2.65 C ATOM 1967 CG1 ILE A 123 -0.711 -1.330 -9.825 1.00 4.66 C ATOM 1968 CG2 ILE A 123 -1.254 -1.242 -12.274 1.00 3.31 C ATOM 1969 CD1 ILE A 123 0.212 -0.110 -9.742 1.00 6.15 C ATOM 0 H ILE A 123 -3.178 0.414 -8.537 1.00 2.06 H new ATOM 0 HA ILE A 123 -2.205 0.804 -10.493 1.00 1.69 H new ATOM 0 HB ILE A 123 -2.470 -2.149 -10.825 1.00 2.65 H new ATOM 0 HG12 ILE A 123 -1.155 -1.491 -8.843 1.00 4.66 H new ATOM 0 HG13 ILE A 123 -0.101 -2.206 -10.046 1.00 4.66 H new ATOM 0 HG21 ILE A 123 -0.591 -2.098 -12.400 1.00 3.31 H new ATOM 0 HG22 ILE A 123 -2.060 -1.296 -13.006 1.00 3.31 H new ATOM 0 HG23 ILE A 123 -0.690 -0.321 -12.423 1.00 3.31 H new ATOM 0 HD11 ILE A 123 0.970 -0.279 -8.978 1.00 6.15 H new ATOM 0 HD12 ILE A 123 0.697 0.046 -10.706 1.00 6.15 H new ATOM 0 HD13 ILE A 123 -0.373 0.772 -9.483 1.00 6.15 H new ATOM 2201 N SER A 138 -6.069 3.859 1.381 1.00 1.14 N ATOM 2202 CA SER A 138 -6.621 2.711 2.090 1.00 0.94 C ATOM 2203 C SER A 138 -5.510 1.851 2.683 1.00 0.76 C ATOM 2204 O SER A 138 -4.489 1.605 2.042 1.00 0.89 O ATOM 2205 CB SER A 138 -7.486 1.833 1.187 1.00 1.16 C ATOM 2206 OG SER A 138 -8.434 2.598 0.471 1.00 1.48 O ATOM 0 HA SER A 138 -7.246 3.117 2.885 1.00 0.94 H new ATOM 0 HB2 SER A 138 -6.850 1.293 0.486 1.00 1.16 H new ATOM 0 HB3 SER A 138 -8.002 1.086 1.791 1.00 1.16 H new ATOM 0 HG SER A 138 -9.334 2.251 0.646 1.00 1.48 H new ATOM 2212 N PHE A 139 -5.759 1.352 3.890 1.00 0.62 N ATOM 2213 CA PHE A 139 -4.874 0.467 4.622 1.00 0.53 C ATOM 2214 C PHE A 139 -5.076 -0.974 4.157 1.00 0.45 C ATOM 2215 O PHE A 139 -6.205 -1.379 3.885 1.00 0.56 O ATOM 2216 CB PHE A 139 -5.210 0.554 6.117 1.00 0.73 C ATOM 2217 CG PHE A 139 -4.368 1.545 6.895 1.00 0.77 C ATOM 2218 CD1 PHE A 139 -2.964 1.453 6.844 1.00 1.60 C ATOM 2219 CD2 PHE A 139 -4.970 2.536 7.691 1.00 2.39 C ATOM 2220 CE1 PHE A 139 -2.170 2.452 7.424 1.00 1.52 C ATOM 2221 CE2 PHE A 139 -4.167 3.473 8.366 1.00 2.65 C ATOM 2222 CZ PHE A 139 -2.773 3.473 8.173 1.00 1.31 C ATOM 0 H PHE A 139 -6.617 1.564 4.400 1.00 0.62 H new ATOM 0 HA PHE A 139 -3.840 0.764 4.445 1.00 0.53 H new ATOM 0 HB2 PHE A 139 -6.260 0.826 6.225 1.00 0.73 H new ATOM 0 HB3 PHE A 139 -5.089 -0.434 6.562 1.00 0.73 H new ATOM 0 HD1 PHE A 139 -2.497 0.610 6.356 1.00 1.60 H new ATOM 0 HD2 PHE A 139 -6.045 2.577 7.784 1.00 2.39 H new ATOM 0 HE1 PHE A 139 -1.098 2.436 7.295 1.00 1.52 H new ATOM 0 HE2 PHE A 139 -4.620 4.192 9.032 1.00 2.65 H new ATOM 0 HZ PHE A 139 -2.168 4.259 8.601 1.00 1.31 H new ATOM 2232 N TYR A 140 -3.991 -1.752 4.139 1.00 0.42 N ATOM 2233 CA TYR A 140 -3.981 -3.191 3.883 1.00 0.49 C ATOM 2234 C TYR A 140 -3.023 -3.888 4.861 1.00 0.54 C ATOM 2235 O TYR A 140 -1.814 -3.858 4.657 1.00 0.92 O ATOM 2236 CB TYR A 140 -3.583 -3.461 2.421 1.00 0.59 C ATOM 2237 CG TYR A 140 -4.731 -3.462 1.432 1.00 0.65 C ATOM 2238 CD1 TYR A 140 -5.337 -2.265 1.012 1.00 1.68 C ATOM 2239 CD2 TYR A 140 -5.208 -4.685 0.940 1.00 2.18 C ATOM 2240 CE1 TYR A 140 -6.466 -2.305 0.173 1.00 1.68 C ATOM 2241 CE2 TYR A 140 -6.295 -4.726 0.059 1.00 2.47 C ATOM 2242 CZ TYR A 140 -6.966 -3.541 -0.270 1.00 1.35 C ATOM 2243 OH TYR A 140 -8.208 -3.622 -0.826 1.00 1.84 O ATOM 0 H TYR A 140 -3.057 -1.379 4.310 1.00 0.42 H new ATOM 0 HA TYR A 140 -4.980 -3.597 4.041 1.00 0.49 H new ATOM 0 HB2 TYR A 140 -2.859 -2.707 2.113 1.00 0.59 H new ATOM 0 HB3 TYR A 140 -3.079 -4.426 2.370 1.00 0.59 H new ATOM 0 HD1 TYR A 140 -4.936 -1.315 1.333 1.00 1.68 H new ATOM 0 HD2 TYR A 140 -4.732 -5.605 1.244 1.00 2.18 H new ATOM 0 HE1 TYR A 140 -6.947 -1.387 -0.130 1.00 1.68 H new ATOM 0 HE2 TYR A 140 -6.615 -5.666 -0.365 1.00 2.47 H new ATOM 0 HH TYR A 140 -8.783 -4.181 -0.263 1.00 1.84 H new ATOM 2253 N LEU A 141 -3.528 -4.532 5.919 1.00 0.41 N ATOM 2254 CA LEU A 141 -2.706 -5.332 6.828 1.00 0.39 C ATOM 2255 C LEU A 141 -2.513 -6.722 6.234 1.00 0.38 C ATOM 2256 O LEU A 141 -3.421 -7.555 6.271 1.00 0.44 O ATOM 2257 CB LEU A 141 -3.343 -5.362 8.222 1.00 0.41 C ATOM 2258 CG LEU A 141 -2.562 -6.200 9.257 1.00 0.42 C ATOM 2259 CD1 LEU A 141 -2.551 -5.455 10.598 1.00 0.77 C ATOM 2260 CD2 LEU A 141 -3.219 -7.572 9.469 1.00 0.64 C ATOM 0 H LEU A 141 -4.517 -4.512 6.167 1.00 0.41 H new ATOM 0 HA LEU A 141 -1.719 -4.885 6.946 1.00 0.39 H new ATOM 0 HB2 LEU A 141 -3.431 -4.340 8.591 1.00 0.41 H new ATOM 0 HB3 LEU A 141 -4.355 -5.759 8.138 1.00 0.41 H new ATOM 0 HG LEU A 141 -1.549 -6.348 8.883 1.00 0.42 H new ATOM 0 HD11 LEU A 141 -2.001 -6.040 11.335 1.00 0.77 H new ATOM 0 HD12 LEU A 141 -2.069 -4.486 10.472 1.00 0.77 H new ATOM 0 HD13 LEU A 141 -3.575 -5.309 10.942 1.00 0.77 H new ATOM 0 HD21 LEU A 141 -2.647 -8.140 10.203 1.00 0.64 H new ATOM 0 HD22 LEU A 141 -4.238 -7.435 9.830 1.00 0.64 H new ATOM 0 HD23 LEU A 141 -3.238 -8.116 8.525 1.00 0.64 H new ATOM 2272 N VAL A 142 -1.324 -6.960 5.679 1.00 0.34 N ATOM 2273 CA VAL A 142 -0.972 -8.209 5.036 1.00 0.35 C ATOM 2274 C VAL A 142 -0.425 -9.166 6.095 1.00 0.43 C ATOM 2275 O VAL A 142 0.569 -8.885 6.765 1.00 0.49 O ATOM 2276 CB VAL A 142 0.038 -7.981 3.908 1.00 0.37 C ATOM 2277 CG1 VAL A 142 0.224 -9.308 3.161 1.00 0.49 C ATOM 2278 CG2 VAL A 142 -0.395 -6.910 2.901 1.00 0.47 C ATOM 0 H VAL A 142 -0.571 -6.272 5.668 1.00 0.34 H new ATOM 0 HA VAL A 142 -1.858 -8.650 4.578 1.00 0.35 H new ATOM 0 HB VAL A 142 0.961 -7.627 4.366 1.00 0.37 H new ATOM 0 HG11 VAL A 142 0.940 -9.172 2.351 1.00 0.49 H new ATOM 0 HG12 VAL A 142 0.596 -10.065 3.851 1.00 0.49 H new ATOM 0 HG13 VAL A 142 -0.732 -9.631 2.749 1.00 0.49 H new ATOM 0 HG21 VAL A 142 0.370 -6.804 2.132 1.00 0.47 H new ATOM 0 HG22 VAL A 142 -1.337 -7.205 2.438 1.00 0.47 H new ATOM 0 HG23 VAL A 142 -0.526 -5.958 3.416 1.00 0.47 H new ATOM 2288 N GLY A 143 -1.100 -10.301 6.254 1.00 0.53 N ATOM 2289 CA GLY A 143 -0.757 -11.310 7.231 1.00 0.65 C ATOM 2290 C GLY A 143 0.457 -12.154 6.842 1.00 0.56 C ATOM 2291 O GLY A 143 1.066 -11.959 5.787 1.00 0.59 O ATOM 0 H GLY A 143 -1.916 -10.543 5.692 1.00 0.53 H new ATOM 0 HA2 GLY A 143 -0.560 -10.825 8.187 1.00 0.65 H new ATOM 0 HA3 GLY A 143 -1.614 -11.968 7.377 1.00 0.65 H new ATOM 2295 N PRO A 144 0.755 -13.160 7.677 1.00 0.60 N ATOM 2296 CA PRO A 144 1.964 -13.956 7.623 1.00 0.69 C ATOM 2297 C PRO A 144 2.021 -14.732 6.318 1.00 0.72 C ATOM 2298 O PRO A 144 3.088 -14.861 5.731 1.00 0.99 O ATOM 2299 CB PRO A 144 1.904 -14.867 8.851 1.00 0.83 C ATOM 2300 CG PRO A 144 0.409 -15.049 9.098 1.00 0.80 C ATOM 2301 CD PRO A 144 -0.174 -13.709 8.644 1.00 0.69 C ATOM 0 HA PRO A 144 2.871 -13.352 7.644 1.00 0.69 H new ATOM 0 HB2 PRO A 144 2.398 -15.821 8.666 1.00 0.83 H new ATOM 0 HB3 PRO A 144 2.399 -14.414 9.710 1.00 0.83 H new ATOM 0 HG2 PRO A 144 0.003 -15.882 8.525 1.00 0.80 H new ATOM 0 HG3 PRO A 144 0.194 -15.249 10.148 1.00 0.80 H new ATOM 0 HD2 PRO A 144 -1.160 -13.846 8.200 1.00 0.69 H new ATOM 0 HD3 PRO A 144 -0.297 -13.033 9.490 1.00 0.69 H new ATOM 2309 N ASP A 145 0.879 -15.228 5.841 1.00 0.85 N ATOM 2310 CA ASP A 145 0.805 -15.948 4.584 1.00 0.83 C ATOM 2311 C ASP A 145 1.097 -15.049 3.383 1.00 0.74 C ATOM 2312 O ASP A 145 1.473 -15.569 2.334 1.00 1.17 O ATOM 2313 CB ASP A 145 -0.587 -16.568 4.422 1.00 1.20 C ATOM 2314 CG ASP A 145 -0.821 -17.724 5.377 1.00 1.72 C ATOM 2315 OD1 ASP A 145 -0.054 -18.702 5.280 1.00 2.23 O ATOM 2316 OD2 ASP A 145 -1.779 -17.610 6.175 1.00 2.90 O ATOM 0 H ASP A 145 -0.017 -15.138 6.320 1.00 0.85 H new ATOM 0 HA ASP A 145 1.568 -16.726 4.613 1.00 0.83 H new ATOM 0 HB2 ASP A 145 -1.344 -15.802 4.590 1.00 1.20 H new ATOM 0 HB3 ASP A 145 -0.709 -16.917 3.397 1.00 1.20 H new ATOM 2321 N GLY A 146 0.891 -13.734 3.499 1.00 0.74 N ATOM 2322 CA GLY A 146 0.675 -12.865 2.351 1.00 0.77 C ATOM 2323 C GLY A 146 -0.820 -12.623 2.105 1.00 0.66 C ATOM 2324 O GLY A 146 -1.175 -11.964 1.132 1.00 0.75 O ATOM 0 H GLY A 146 0.870 -13.247 4.395 1.00 0.74 H new ATOM 0 HA2 GLY A 146 1.177 -11.912 2.515 1.00 0.77 H new ATOM 0 HA3 GLY A 146 1.123 -13.313 1.464 1.00 0.77 H new ATOM 2328 N LYS A 147 -1.702 -13.135 2.977 1.00 0.71 N ATOM 2329 CA LYS A 147 -3.133 -12.869 2.904 1.00 0.68 C ATOM 2330 C LYS A 147 -3.504 -11.657 3.745 1.00 0.62 C ATOM 2331 O LYS A 147 -3.140 -11.586 4.918 1.00 0.64 O ATOM 2332 CB LYS A 147 -3.962 -14.101 3.237 1.00 0.79 C ATOM 2333 CG LYS A 147 -4.011 -14.426 4.725 1.00 0.98 C ATOM 2334 CD LYS A 147 -4.392 -15.897 4.921 1.00 1.14 C ATOM 2335 CE LYS A 147 -4.554 -16.224 6.410 1.00 1.82 C ATOM 2336 NZ LYS A 147 -4.342 -17.660 6.669 1.00 2.13 N ATOM 0 H LYS A 147 -1.435 -13.744 3.750 1.00 0.71 H new ATOM 0 HA LYS A 147 -3.376 -12.623 1.870 1.00 0.68 H new ATOM 0 HB2 LYS A 147 -4.979 -13.952 2.874 1.00 0.79 H new ATOM 0 HB3 LYS A 147 -3.554 -14.958 2.701 1.00 0.79 H new ATOM 0 HG2 LYS A 147 -3.042 -14.228 5.182 1.00 0.98 H new ATOM 0 HG3 LYS A 147 -4.736 -13.783 5.224 1.00 0.98 H new ATOM 0 HD2 LYS A 147 -5.322 -16.110 4.394 1.00 1.14 H new ATOM 0 HD3 LYS A 147 -3.625 -16.537 4.485 1.00 1.14 H new ATOM 0 HE2 LYS A 147 -3.843 -15.638 6.993 1.00 1.82 H new ATOM 0 HE3 LYS A 147 -5.552 -15.936 6.741 1.00 1.82 H new ATOM 0 HZ1 LYS A 147 -4.790 -17.920 7.571 1.00 2.13 H new ATOM 0 HZ2 LYS A 147 -4.764 -18.218 5.899 1.00 2.13 H new ATOM 0 HZ3 LYS A 147 -3.322 -17.857 6.720 1.00 2.13 H new ATOM 2350 N VAL A 148 -4.247 -10.718 3.169 1.00 0.60 N ATOM 2351 CA VAL A 148 -4.736 -9.572 3.912 1.00 0.59 C ATOM 2352 C VAL A 148 -5.917 -10.042 4.740 1.00 0.58 C ATOM 2353 O VAL A 148 -6.865 -10.608 4.193 1.00 0.63 O ATOM 2354 CB VAL A 148 -5.143 -8.438 2.970 1.00 0.62 C ATOM 2355 CG1 VAL A 148 -5.658 -7.221 3.749 1.00 1.21 C ATOM 2356 CG2 VAL A 148 -3.968 -8.031 2.075 1.00 1.15 C ATOM 0 H VAL A 148 -4.522 -10.732 2.187 1.00 0.60 H new ATOM 0 HA VAL A 148 -3.952 -9.175 4.557 1.00 0.59 H new ATOM 0 HB VAL A 148 -5.954 -8.807 2.342 1.00 0.62 H new ATOM 0 HG11 VAL A 148 -5.939 -6.433 3.050 1.00 1.21 H new ATOM 0 HG12 VAL A 148 -6.528 -7.509 4.340 1.00 1.21 H new ATOM 0 HG13 VAL A 148 -4.874 -6.855 4.412 1.00 1.21 H new ATOM 0 HG21 VAL A 148 -4.278 -7.223 1.412 1.00 1.15 H new ATOM 0 HG22 VAL A 148 -3.138 -7.693 2.695 1.00 1.15 H new ATOM 0 HG23 VAL A 148 -3.651 -8.887 1.480 1.00 1.15 H new ATOM 2366 N LEU A 149 -5.822 -9.828 6.052 1.00 0.58 N ATOM 2367 CA LEU A 149 -6.867 -10.176 7.001 1.00 0.57 C ATOM 2368 C LEU A 149 -7.736 -8.967 7.303 1.00 0.50 C ATOM 2369 O LEU A 149 -8.902 -9.129 7.641 1.00 0.57 O ATOM 2370 CB LEU A 149 -6.252 -10.717 8.290 1.00 0.71 C ATOM 2371 CG LEU A 149 -5.476 -12.014 8.019 1.00 0.71 C ATOM 2372 CD1 LEU A 149 -4.027 -11.853 8.474 1.00 1.24 C ATOM 2373 CD2 LEU A 149 -6.118 -13.187 8.758 1.00 0.95 C ATOM 0 H LEU A 149 -5.004 -9.402 6.487 1.00 0.58 H new ATOM 0 HA LEU A 149 -7.492 -10.951 6.557 1.00 0.57 H new ATOM 0 HB2 LEU A 149 -5.584 -9.971 8.721 1.00 0.71 H new ATOM 0 HB3 LEU A 149 -7.037 -10.903 9.023 1.00 0.71 H new ATOM 0 HG LEU A 149 -5.502 -12.218 6.949 1.00 0.71 H new ATOM 0 HD11 LEU A 149 -3.480 -12.776 8.280 1.00 1.24 H new ATOM 0 HD12 LEU A 149 -3.562 -11.033 7.926 1.00 1.24 H new ATOM 0 HD13 LEU A 149 -4.003 -11.635 9.542 1.00 1.24 H new ATOM 0 HD21 LEU A 149 -5.555 -14.098 8.554 1.00 0.95 H new ATOM 0 HD22 LEU A 149 -6.112 -12.989 9.830 1.00 0.95 H new ATOM 0 HD23 LEU A 149 -7.146 -13.313 8.418 1.00 0.95 H new ATOM 2385 N LYS A 150 -7.159 -7.763 7.243 1.00 0.46 N ATOM 2386 CA LYS A 150 -7.860 -6.520 7.477 1.00 0.46 C ATOM 2387 C LYS A 150 -7.375 -5.469 6.479 1.00 0.47 C ATOM 2388 O LYS A 150 -6.235 -5.008 6.558 1.00 0.73 O ATOM 2389 CB LYS A 150 -7.601 -6.053 8.903 1.00 0.59 C ATOM 2390 CG LYS A 150 -8.237 -6.983 9.948 1.00 0.66 C ATOM 2391 CD LYS A 150 -7.824 -6.632 11.380 1.00 1.56 C ATOM 2392 CE LYS A 150 -8.291 -5.228 11.780 1.00 2.59 C ATOM 2393 NZ LYS A 150 -7.986 -4.937 13.195 1.00 4.01 N ATOM 0 H LYS A 150 -6.171 -7.635 7.025 1.00 0.46 H new ATOM 0 HA LYS A 150 -8.931 -6.669 7.343 1.00 0.46 H new ATOM 0 HB2 LYS A 150 -6.526 -5.999 9.075 1.00 0.59 H new ATOM 0 HB3 LYS A 150 -7.995 -5.045 9.030 1.00 0.59 H new ATOM 0 HG2 LYS A 150 -9.322 -6.929 9.864 1.00 0.66 H new ATOM 0 HG3 LYS A 150 -7.951 -8.013 9.734 1.00 0.66 H new ATOM 0 HD2 LYS A 150 -8.244 -7.365 12.069 1.00 1.56 H new ATOM 0 HD3 LYS A 150 -6.740 -6.694 11.471 1.00 1.56 H new ATOM 0 HE2 LYS A 150 -7.807 -4.488 11.143 1.00 2.59 H new ATOM 0 HE3 LYS A 150 -9.364 -5.139 11.613 1.00 2.59 H new ATOM 0 HZ1 LYS A 150 -8.316 -3.979 13.431 1.00 4.01 H new ATOM 0 HZ2 LYS A 150 -8.468 -5.629 13.803 1.00 4.01 H new ATOM 0 HZ3 LYS A 150 -6.959 -4.997 13.348 1.00 4.01 H new ATOM 2407 N ASP A 151 -8.262 -5.070 5.578 1.00 0.96 N ATOM 2408 CA ASP A 151 -8.162 -3.811 4.857 1.00 0.95 C ATOM 2409 C ASP A 151 -8.775 -2.747 5.781 1.00 1.06 C ATOM 2410 O ASP A 151 -9.345 -3.086 6.817 1.00 1.43 O ATOM 2411 CB ASP A 151 -8.908 -3.835 3.515 1.00 1.03 C ATOM 2412 CG ASP A 151 -8.757 -5.042 2.585 1.00 1.44 C ATOM 2413 OD1 ASP A 151 -8.583 -6.186 3.063 1.00 2.33 O ATOM 2414 OD2 ASP A 151 -8.915 -4.816 1.364 1.00 2.22 O ATOM 0 H ASP A 151 -9.083 -5.620 5.325 1.00 0.96 H new ATOM 0 HA ASP A 151 -7.120 -3.604 4.613 1.00 0.95 H new ATOM 0 HB2 ASP A 151 -9.970 -3.721 3.731 1.00 1.03 H new ATOM 0 HB3 ASP A 151 -8.600 -2.952 2.955 1.00 1.03 H new ATOM 2419 N TYR A 152 -8.641 -1.462 5.449 1.00 1.01 N ATOM 2420 CA TYR A 152 -9.300 -0.362 6.139 1.00 1.07 C ATOM 2421 C TYR A 152 -9.211 0.879 5.251 1.00 1.09 C ATOM 2422 O TYR A 152 -8.443 0.896 4.294 1.00 1.19 O ATOM 2423 CB TYR A 152 -8.717 -0.123 7.547 1.00 1.15 C ATOM 2424 CG TYR A 152 -9.773 0.004 8.631 1.00 1.82 C ATOM 2425 CD1 TYR A 152 -10.290 -1.151 9.249 1.00 3.22 C ATOM 2426 CD2 TYR A 152 -10.290 1.267 8.980 1.00 2.89 C ATOM 2427 CE1 TYR A 152 -11.347 -1.050 10.169 1.00 4.39 C ATOM 2428 CE2 TYR A 152 -11.348 1.367 9.900 1.00 4.16 C ATOM 2429 CZ TYR A 152 -11.889 0.208 10.480 1.00 4.61 C ATOM 2430 OH TYR A 152 -12.925 0.310 11.358 1.00 6.07 O ATOM 0 H TYR A 152 -8.055 -1.154 4.673 1.00 1.01 H new ATOM 0 HA TYR A 152 -10.348 -0.611 6.306 1.00 1.07 H new ATOM 0 HB2 TYR A 152 -8.048 -0.946 7.798 1.00 1.15 H new ATOM 0 HB3 TYR A 152 -8.114 0.785 7.532 1.00 1.15 H new ATOM 0 HD1 TYR A 152 -9.872 -2.119 9.015 1.00 3.22 H new ATOM 0 HD2 TYR A 152 -9.873 2.160 8.540 1.00 2.89 H new ATOM 0 HE1 TYR A 152 -11.743 -1.939 10.637 1.00 4.39 H new ATOM 0 HE2 TYR A 152 -11.745 2.337 10.161 1.00 4.16 H new ATOM 0 HH TYR A 152 -13.176 1.252 11.460 1.00 6.07 H new ATOM 2440 N ASN A 153 -9.924 1.944 5.612 1.00 1.06 N ATOM 2441 CA ASN A 153 -9.918 3.201 4.868 1.00 1.09 C ATOM 2442 C ASN A 153 -8.798 4.128 5.328 1.00 1.44 C ATOM 2443 O ASN A 153 -8.259 4.897 4.541 1.00 2.64 O ATOM 2444 CB ASN A 153 -11.296 3.846 5.006 1.00 1.00 C ATOM 2445 CG ASN A 153 -11.461 5.201 4.320 1.00 1.48 C ATOM 2446 OD1 ASN A 153 -10.683 5.604 3.467 1.00 1.99 O ATOM 2447 ND2 ASN A 153 -12.501 5.931 4.694 1.00 2.05 N ATOM 0 H ASN A 153 -10.526 1.959 6.435 1.00 1.06 H new ATOM 0 HA ASN A 153 -9.718 3.003 3.815 1.00 1.09 H new ATOM 0 HB2 ASN A 153 -12.041 3.161 4.601 1.00 1.00 H new ATOM 0 HB3 ASN A 153 -11.517 3.966 6.067 1.00 1.00 H new ATOM 0 HD21 ASN A 153 -12.662 6.844 4.269 1.00 2.05 H new ATOM 0 HD22 ASN A 153 -13.140 5.580 5.407 1.00 2.05 H new ATOM 2520 N PRO A 159 -14.600 1.702 5.882 1.00 1.24 N ATOM 2521 CA PRO A 159 -13.351 1.021 5.575 1.00 1.18 C ATOM 2522 C PRO A 159 -13.248 0.667 4.089 1.00 1.62 C ATOM 2523 O PRO A 159 -12.294 1.054 3.425 1.00 2.13 O ATOM 2524 CB PRO A 159 -13.207 -0.134 6.565 1.00 1.26 C ATOM 2525 CG PRO A 159 -14.624 -0.356 7.081 1.00 1.13 C ATOM 2526 CD PRO A 159 -15.258 1.030 6.982 1.00 1.20 C ATOM 0 HA PRO A 159 -12.484 1.667 5.714 1.00 1.18 H new ATOM 0 HB2 PRO A 159 -12.814 -1.028 6.081 1.00 1.26 H new ATOM 0 HB3 PRO A 159 -12.522 0.117 7.375 1.00 1.26 H new ATOM 0 HG2 PRO A 159 -15.161 -1.088 6.478 1.00 1.13 H new ATOM 0 HG3 PRO A 159 -14.625 -0.726 8.106 1.00 1.13 H new ATOM 0 HD2 PRO A 159 -16.331 0.955 6.805 1.00 1.20 H new ATOM 0 HD3 PRO A 159 -15.126 1.585 7.911 1.00 1.20 H new ATOM 2534 N TYR A 160 -14.261 -0.015 3.561 1.00 1.64 N ATOM 2535 CA TYR A 160 -14.709 -0.061 2.170 1.00 2.72 C ATOM 2536 C TYR A 160 -13.835 -0.939 1.280 1.00 3.53 C ATOM 2537 O TYR A 160 -14.338 -1.615 0.383 1.00 3.82 O ATOM 2538 CB TYR A 160 -14.760 1.360 1.584 1.00 4.21 C ATOM 2539 CG TYR A 160 -15.370 1.362 0.203 1.00 4.27 C ATOM 2540 CD1 TYR A 160 -16.722 0.999 0.090 1.00 5.31 C ATOM 2541 CD2 TYR A 160 -14.528 1.271 -0.922 1.00 3.91 C ATOM 2542 CE1 TYR A 160 -17.189 0.393 -1.083 1.00 5.82 C ATOM 2543 CE2 TYR A 160 -15.018 0.738 -2.125 1.00 4.29 C ATOM 2544 CZ TYR A 160 -16.340 0.265 -2.195 1.00 5.22 C ATOM 2545 OH TYR A 160 -16.795 -0.338 -3.330 1.00 6.14 O ATOM 0 H TYR A 160 -14.845 -0.606 4.152 1.00 1.64 H new ATOM 0 HA TYR A 160 -15.703 -0.507 2.185 1.00 2.72 H new ATOM 0 HB2 TYR A 160 -15.341 2.006 2.242 1.00 4.21 H new ATOM 0 HB3 TYR A 160 -13.753 1.774 1.540 1.00 4.21 H new ATOM 0 HD1 TYR A 160 -17.402 1.187 0.908 1.00 5.31 H new ATOM 0 HD2 TYR A 160 -13.505 1.611 -0.859 1.00 3.91 H new ATOM 0 HE1 TYR A 160 -18.203 0.024 -1.133 1.00 5.82 H new ATOM 0 HE2 TYR A 160 -14.380 0.691 -2.995 1.00 4.29 H new ATOM 0 HH TYR A 160 -16.084 -0.344 -4.005 1.00 6.14 H new ATOM 2555 N ASP A 161 -12.560 -1.052 1.614 1.00 4.19 N ATOM 2556 CA ASP A 161 -11.654 -2.015 1.040 1.00 5.39 C ATOM 2557 C ASP A 161 -11.953 -3.396 1.629 1.00 4.61 C ATOM 2558 O ASP A 161 -11.958 -4.401 0.918 1.00 4.77 O ATOM 2559 CB ASP A 161 -10.229 -1.513 1.272 1.00 6.98 C ATOM 2560 CG ASP A 161 -9.936 -0.261 0.451 1.00 8.36 C ATOM 2561 OD1 ASP A 161 -10.393 0.837 0.832 1.00 8.73 O ATOM 2562 OD2 ASP A 161 -9.245 -0.400 -0.578 1.00 9.53 O ATOM 0 H ASP A 161 -12.120 -0.455 2.314 1.00 4.19 H new ATOM 0 HA ASP A 161 -11.779 -2.124 -0.037 1.00 5.39 H new ATOM 0 HB2 ASP A 161 -10.086 -1.297 2.331 1.00 6.98 H new ATOM 0 HB3 ASP A 161 -9.519 -2.297 1.008 1.00 6.98 H new ATOM 2567 N ASP A 162 -12.256 -3.437 2.931 1.00 4.04 N ATOM 2568 CA ASP A 162 -12.427 -4.659 3.701 1.00 4.31 C ATOM 2569 C ASP A 162 -13.641 -5.420 3.197 1.00 3.12 C ATOM 2570 O ASP A 162 -13.509 -6.565 2.802 1.00 3.44 O ATOM 2571 CB ASP A 162 -12.478 -4.380 5.214 1.00 4.84 C ATOM 2572 CG ASP A 162 -13.612 -3.462 5.638 1.00 4.39 C ATOM 2573 OD1 ASP A 162 -14.024 -2.652 4.779 1.00 4.74 O ATOM 2574 OD2 ASP A 162 -14.041 -3.563 6.803 1.00 4.58 O ATOM 0 H ASP A 162 -12.391 -2.593 3.488 1.00 4.04 H new ATOM 0 HA ASP A 162 -11.554 -5.295 3.552 1.00 4.31 H new ATOM 0 HB2 ASP A 162 -12.574 -5.327 5.744 1.00 4.84 H new ATOM 0 HB3 ASP A 162 -11.531 -3.937 5.523 1.00 4.84 H new ATOM 2579 N ILE A 163 -14.809 -4.790 3.144 1.00 1.96 N ATOM 2580 CA ILE A 163 -15.992 -5.349 2.480 1.00 1.73 C ATOM 2581 C ILE A 163 -15.639 -6.027 1.139 1.00 1.19 C ATOM 2582 O ILE A 163 -16.002 -7.176 0.898 1.00 1.57 O ATOM 2583 CB ILE A 163 -17.076 -4.272 2.297 1.00 2.02 C ATOM 2584 CG1 ILE A 163 -17.384 -3.604 3.646 1.00 2.55 C ATOM 2585 CG2 ILE A 163 -18.364 -4.891 1.734 1.00 3.35 C ATOM 2586 CD1 ILE A 163 -16.689 -2.247 3.751 1.00 1.88 C ATOM 0 H ILE A 163 -14.968 -3.873 3.561 1.00 1.96 H new ATOM 0 HA ILE A 163 -16.393 -6.127 3.129 1.00 1.73 H new ATOM 0 HB ILE A 163 -16.703 -3.527 1.594 1.00 2.02 H new ATOM 0 HG12 ILE A 163 -18.461 -3.476 3.756 1.00 2.55 H new ATOM 0 HG13 ILE A 163 -17.055 -4.250 4.460 1.00 2.55 H new ATOM 0 HG21 ILE A 163 -19.118 -4.114 1.612 1.00 3.35 H new ATOM 0 HG22 ILE A 163 -18.155 -5.349 0.767 1.00 3.35 H new ATOM 0 HG23 ILE A 163 -18.734 -5.650 2.423 1.00 3.35 H new ATOM 0 HD11 ILE A 163 -16.921 -1.793 4.714 1.00 1.88 H new ATOM 0 HD12 ILE A 163 -15.611 -2.383 3.664 1.00 1.88 H new ATOM 0 HD13 ILE A 163 -17.038 -1.596 2.949 1.00 1.88 H new ATOM 2598 N ILE A 164 -14.923 -5.338 0.248 1.00 1.32 N ATOM 2599 CA ILE A 164 -14.511 -5.908 -1.031 1.00 1.97 C ATOM 2600 C ILE A 164 -13.611 -7.135 -0.814 1.00 2.18 C ATOM 2601 O ILE A 164 -13.800 -8.168 -1.455 1.00 2.00 O ATOM 2602 CB ILE A 164 -13.877 -4.791 -1.873 1.00 3.27 C ATOM 2603 CG1 ILE A 164 -14.956 -3.927 -2.552 1.00 3.92 C ATOM 2604 CG2 ILE A 164 -12.936 -5.325 -2.962 1.00 4.23 C ATOM 2605 CD1 ILE A 164 -16.218 -3.604 -1.746 1.00 3.60 C ATOM 0 H ILE A 164 -14.616 -4.376 0.393 1.00 1.32 H new ATOM 0 HA ILE A 164 -15.365 -6.289 -1.591 1.00 1.97 H new ATOM 0 HB ILE A 164 -13.295 -4.193 -1.172 1.00 3.27 H new ATOM 0 HG12 ILE A 164 -14.495 -2.984 -2.846 1.00 3.92 H new ATOM 0 HG13 ILE A 164 -15.263 -4.432 -3.468 1.00 3.92 H new ATOM 0 HG21 ILE A 164 -12.518 -4.489 -3.524 1.00 4.23 H new ATOM 0 HG22 ILE A 164 -12.128 -5.891 -2.499 1.00 4.23 H new ATOM 0 HG23 ILE A 164 -13.493 -5.974 -3.638 1.00 4.23 H new ATOM 0 HD11 ILE A 164 -16.887 -2.990 -2.349 1.00 3.60 H new ATOM 0 HD12 ILE A 164 -16.723 -4.531 -1.473 1.00 3.60 H new ATOM 0 HD13 ILE A 164 -15.943 -3.061 -0.842 1.00 3.60 H new ATOM 2617 N SER A 165 -12.647 -7.029 0.097 1.00 3.00 N ATOM 2618 CA SER A 165 -11.808 -8.132 0.562 1.00 3.84 C ATOM 2619 C SER A 165 -12.669 -9.313 1.048 1.00 3.52 C ATOM 2620 O SER A 165 -12.370 -10.467 0.735 1.00 3.80 O ATOM 2621 CB SER A 165 -10.890 -7.578 1.649 1.00 5.04 C ATOM 2622 OG SER A 165 -9.657 -8.249 1.785 1.00 6.68 O ATOM 0 H SER A 165 -12.420 -6.143 0.548 1.00 3.00 H new ATOM 0 HA SER A 165 -11.200 -8.533 -0.249 1.00 3.84 H new ATOM 0 HB2 SER A 165 -10.693 -6.527 1.437 1.00 5.04 H new ATOM 0 HB3 SER A 165 -11.416 -7.618 2.603 1.00 5.04 H new ATOM 0 HG SER A 165 -8.978 -7.622 2.110 1.00 6.68 H new ATOM 2628 N ASP A 166 -13.761 -9.049 1.778 1.00 3.27 N ATOM 2629 CA ASP A 166 -14.681 -10.096 2.205 1.00 3.79 C ATOM 2630 C ASP A 166 -15.305 -10.746 0.978 1.00 3.24 C ATOM 2631 O ASP A 166 -15.185 -11.953 0.801 1.00 3.71 O ATOM 2632 CB ASP A 166 -15.765 -9.580 3.159 1.00 4.12 C ATOM 2633 CG ASP A 166 -16.834 -10.649 3.345 1.00 5.00 C ATOM 2634 OD1 ASP A 166 -16.566 -11.588 4.121 1.00 6.53 O ATOM 2635 OD2 ASP A 166 -17.875 -10.534 2.664 1.00 4.42 O ATOM 0 H ASP A 166 -14.024 -8.112 2.083 1.00 3.27 H new ATOM 0 HA ASP A 166 -14.109 -10.835 2.766 1.00 3.79 H new ATOM 0 HB2 ASP A 166 -15.323 -9.322 4.122 1.00 4.12 H new ATOM 0 HB3 ASP A 166 -16.212 -8.670 2.759 1.00 4.12 H new ATOM 2640 N VAL A 167 -15.923 -9.954 0.099 1.00 2.40 N ATOM 2641 CA VAL A 167 -16.544 -10.462 -1.118 1.00 2.30 C ATOM 2642 C VAL A 167 -15.555 -11.338 -1.904 1.00 1.91 C ATOM 2643 O VAL A 167 -15.902 -12.436 -2.341 1.00 2.27 O ATOM 2644 CB VAL A 167 -17.106 -9.287 -1.939 1.00 2.26 C ATOM 2645 CG1 VAL A 167 -17.593 -9.742 -3.318 1.00 2.82 C ATOM 2646 CG2 VAL A 167 -18.287 -8.638 -1.203 1.00 2.98 C ATOM 0 H VAL A 167 -16.005 -8.944 0.214 1.00 2.40 H new ATOM 0 HA VAL A 167 -17.385 -11.109 -0.868 1.00 2.30 H new ATOM 0 HB VAL A 167 -16.294 -8.570 -2.065 1.00 2.26 H new ATOM 0 HG11 VAL A 167 -17.982 -8.885 -3.867 1.00 2.82 H new ATOM 0 HG12 VAL A 167 -16.762 -10.180 -3.871 1.00 2.82 H new ATOM 0 HG13 VAL A 167 -18.381 -10.485 -3.198 1.00 2.82 H new ATOM 0 HG21 VAL A 167 -18.674 -7.809 -1.796 1.00 2.98 H new ATOM 0 HG22 VAL A 167 -19.074 -9.377 -1.056 1.00 2.98 H new ATOM 0 HG23 VAL A 167 -17.952 -8.267 -0.234 1.00 2.98 H new ATOM 2656 N LYS A 168 -14.314 -10.875 -2.069 1.00 1.65 N ATOM 2657 CA LYS A 168 -13.235 -11.631 -2.690 1.00 1.92 C ATOM 2658 C LYS A 168 -13.012 -12.971 -1.979 1.00 2.51 C ATOM 2659 O LYS A 168 -13.001 -14.030 -2.614 1.00 2.37 O ATOM 2660 CB LYS A 168 -11.963 -10.776 -2.643 1.00 2.54 C ATOM 2661 CG LYS A 168 -12.006 -9.597 -3.622 1.00 2.89 C ATOM 2662 CD LYS A 168 -11.515 -10.068 -4.993 1.00 3.59 C ATOM 2663 CE LYS A 168 -11.461 -8.929 -6.020 1.00 3.98 C ATOM 2664 NZ LYS A 168 -10.177 -8.941 -6.754 1.00 5.08 N ATOM 0 H LYS A 168 -14.030 -9.943 -1.767 1.00 1.65 H new ATOM 0 HA LYS A 168 -13.498 -11.858 -3.723 1.00 1.92 H new ATOM 0 HB2 LYS A 168 -11.822 -10.397 -1.631 1.00 2.54 H new ATOM 0 HB3 LYS A 168 -11.101 -11.402 -2.872 1.00 2.54 H new ATOM 0 HG2 LYS A 168 -13.022 -9.209 -3.699 1.00 2.89 H new ATOM 0 HG3 LYS A 168 -11.380 -8.782 -3.258 1.00 2.89 H new ATOM 0 HD2 LYS A 168 -10.523 -10.507 -4.889 1.00 3.59 H new ATOM 0 HD3 LYS A 168 -12.174 -10.854 -5.361 1.00 3.59 H new ATOM 0 HE2 LYS A 168 -12.288 -9.029 -6.723 1.00 3.98 H new ATOM 0 HE3 LYS A 168 -11.587 -7.972 -5.514 1.00 3.98 H new ATOM 0 HZ1 LYS A 168 -10.276 -8.397 -7.635 1.00 5.08 H new ATOM 0 HZ2 LYS A 168 -9.436 -8.513 -6.164 1.00 5.08 H new ATOM 0 HZ3 LYS A 168 -9.916 -9.922 -6.980 1.00 5.08 H new ATOM 2678 N SER A 169 -12.825 -12.917 -0.659 1.00 3.38 N ATOM 2679 CA SER A 169 -12.610 -14.084 0.187 1.00 4.39 C ATOM 2680 C SER A 169 -13.761 -15.086 0.027 1.00 4.39 C ATOM 2681 O SER A 169 -13.546 -16.288 -0.122 1.00 4.68 O ATOM 2682 CB SER A 169 -12.449 -13.611 1.643 1.00 5.32 C ATOM 2683 OG SER A 169 -11.903 -14.594 2.506 1.00 6.54 O ATOM 0 H SER A 169 -12.819 -12.039 -0.140 1.00 3.38 H new ATOM 0 HA SER A 169 -11.701 -14.606 -0.112 1.00 4.39 H new ATOM 0 HB2 SER A 169 -11.808 -12.729 1.660 1.00 5.32 H new ATOM 0 HB3 SER A 169 -13.423 -13.305 2.026 1.00 5.32 H new ATOM 0 HG SER A 169 -12.198 -14.423 3.425 1.00 6.54 H new ATOM 2689 N ALA A 170 -14.987 -14.565 0.069 1.00 4.28 N ATOM 2690 CA ALA A 170 -16.232 -15.310 0.132 1.00 4.85 C ATOM 2691 C ALA A 170 -16.532 -15.976 -1.204 1.00 4.24 C ATOM 2692 O ALA A 170 -16.905 -17.144 -1.244 1.00 4.91 O ATOM 2693 CB ALA A 170 -17.368 -14.368 0.543 1.00 5.22 C ATOM 0 H ALA A 170 -15.140 -13.557 0.059 1.00 4.28 H new ATOM 0 HA ALA A 170 -16.139 -16.099 0.878 1.00 4.85 H new ATOM 0 HB1 ALA A 170 -18.304 -14.925 0.591 1.00 5.22 H new ATOM 0 HB2 ALA A 170 -17.150 -13.940 1.522 1.00 5.22 H new ATOM 0 HB3 ALA A 170 -17.460 -13.567 -0.191 1.00 5.22 H new ATOM 2699 N SER A 171 -16.390 -15.208 -2.290 1.00 3.13 N ATOM 2700 CA SER A 171 -16.632 -15.657 -3.651 1.00 2.78 C ATOM 2701 C SER A 171 -15.913 -16.988 -3.892 1.00 2.51 C ATOM 2702 O SER A 171 -16.563 -17.990 -4.175 1.00 3.09 O ATOM 2703 CB SER A 171 -16.197 -14.548 -4.621 1.00 2.43 C ATOM 2704 OG SER A 171 -16.277 -14.979 -5.965 1.00 3.50 O ATOM 0 H SER A 171 -16.096 -14.233 -2.237 1.00 3.13 H new ATOM 0 HA SER A 171 -17.692 -15.844 -3.821 1.00 2.78 H new ATOM 0 HB2 SER A 171 -16.829 -13.671 -4.480 1.00 2.43 H new ATOM 0 HB3 SER A 171 -15.175 -14.245 -4.395 1.00 2.43 H new ATOM 0 HG SER A 171 -15.996 -14.252 -6.559 1.00 3.50 H new ATOM 2710 N THR A 172 -14.581 -16.980 -3.755 1.00 2.16 N ATOM 2711 CA THR A 172 -13.689 -18.139 -3.766 1.00 2.35 C ATOM 2712 C THR A 172 -12.247 -17.662 -3.910 1.00 2.68 C ATOM 2713 O THR A 172 -11.331 -18.296 -3.392 1.00 2.73 O ATOM 2714 CB THR A 172 -14.012 -19.135 -4.902 1.00 2.57 C ATOM 2715 OG1 THR A 172 -13.089 -20.211 -4.919 1.00 3.16 O ATOM 2716 CG2 THR A 172 -14.008 -18.440 -6.268 1.00 3.47 C ATOM 0 H THR A 172 -14.069 -16.108 -3.626 1.00 2.16 H new ATOM 0 HA THR A 172 -13.834 -18.667 -2.823 1.00 2.35 H new ATOM 0 HB THR A 172 -15.010 -19.527 -4.708 1.00 2.57 H new ATOM 0 HG1 THR A 172 -13.318 -20.827 -5.646 1.00 3.16 H new ATOM 0 HG21 THR A 172 -14.239 -19.167 -7.047 1.00 3.47 H new ATOM 0 HG22 THR A 172 -14.758 -17.649 -6.276 1.00 3.47 H new ATOM 0 HG23 THR A 172 -13.024 -18.009 -6.454 1.00 3.47 H new