USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 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 91 THR OG1 : rot 64:sc=-0.00234 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.183 X(o=0.18,f=0.0051) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.676 K(o=-0.21,f=-0.91) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.275 K(o=-0.21,f=-5.8!) USER MOD Set 2.3: A 82 HIS : +bothHN:sc= -1.16 K(o=-0.21,f=-10!) USER MOD Single : A 13 SER OG : rot -15:sc= 0.843 USER MOD Single : A 14 GLN : amide:sc= 0.616 K(o=0.62,f=-0.47) USER MOD Single : A 15 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -119:sc= -0.946! USER MOD Single : A 27 HIS : no HE2:sc= 0.235 K(o=0.23,f=-5.3!) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= 0.543 (180deg=-0.28) USER MOD Single : A 30 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.0083) USER MOD Single : A 32 GLN : amide:sc= 0.08 X(o=0.08,f=-0.0029) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0124) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.0741 USER MOD Single : A 45 MET CE :methyl -145:sc= -0.114 (180deg=-0.661) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0407) USER MOD Single : A 58 ASN : amide:sc= 0.63 K(o=0.63,f=-0.75) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.447 K(o=0.45,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0.551 (180deg=0.404) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.901 (180deg=0.742) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0731) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.328 USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0567) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 90 SER OG : rot 42:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 15.974 -7.121 -1.602 1.00 71.14 N ATOM 90 CA GLU A 7 15.312 -6.658 -0.379 1.00 24.34 C ATOM 91 C GLU A 7 14.661 -5.274 -0.551 1.00 1.01 C ATOM 92 O GLU A 7 15.345 -4.247 -0.633 1.00 35.40 O ATOM 93 CB GLU A 7 16.305 -6.659 0.791 1.00 51.33 C ATOM 94 CG GLU A 7 16.747 -8.067 1.188 1.00 11.05 C ATOM 95 CD GLU A 7 17.755 -8.085 2.325 1.00 72.33 C ATOM 96 OE1 GLU A 7 17.364 -7.820 3.483 1.00 34.31 O ATOM 97 OE2 GLU A 7 18.941 -8.394 2.069 1.00 62.20 O ATOM 0 HA GLU A 7 14.503 -7.355 -0.159 1.00 24.34 H new ATOM 0 HB2 GLU A 7 17.181 -6.071 0.519 1.00 51.33 H new ATOM 0 HB3 GLU A 7 15.847 -6.170 1.651 1.00 51.33 H new ATOM 0 HG2 GLU A 7 15.871 -8.646 1.480 1.00 11.05 H new ATOM 0 HG3 GLU A 7 17.181 -8.562 0.319 1.00 11.05 H new ATOM 104 N VAL A 8 13.328 -5.266 -0.620 1.00 71.11 N ATOM 105 CA VAL A 8 12.546 -4.030 -0.764 1.00 63.31 C ATOM 106 C VAL A 8 11.469 -3.905 0.333 1.00 13.23 C ATOM 107 O VAL A 8 10.985 -4.903 0.874 1.00 53.45 O ATOM 108 CB VAL A 8 11.864 -3.948 -2.158 1.00 11.22 C ATOM 109 CG1 VAL A 8 12.905 -3.902 -3.277 1.00 10.23 C ATOM 110 CG2 VAL A 8 10.899 -5.116 -2.361 1.00 4.22 C ATOM 0 H VAL A 8 12.759 -6.112 -0.578 1.00 71.11 H new ATOM 0 HA VAL A 8 13.251 -3.205 -0.662 1.00 63.31 H new ATOM 0 HB VAL A 8 11.289 -3.022 -2.196 1.00 11.22 H new ATOM 0 HG11 VAL A 8 12.400 -3.845 -4.241 1.00 10.23 H new ATOM 0 HG12 VAL A 8 13.540 -3.026 -3.147 1.00 10.23 H new ATOM 0 HG13 VAL A 8 13.518 -4.803 -3.241 1.00 10.23 H new ATOM 0 HG21 VAL A 8 10.434 -5.037 -3.344 1.00 4.22 H new ATOM 0 HG22 VAL A 8 11.446 -6.056 -2.293 1.00 4.22 H new ATOM 0 HG23 VAL A 8 10.128 -5.089 -1.591 1.00 4.22 H new ATOM 120 N VAL A 9 11.103 -2.668 0.655 1.00 72.10 N ATOM 121 CA VAL A 9 10.082 -2.383 1.670 1.00 63.13 C ATOM 122 C VAL A 9 8.978 -1.464 1.111 1.00 64.33 C ATOM 123 O VAL A 9 9.244 -0.584 0.288 1.00 4.24 O ATOM 124 CB VAL A 9 10.707 -1.727 2.933 1.00 74.20 C ATOM 125 CG1 VAL A 9 11.735 -2.656 3.579 1.00 24.14 C ATOM 126 CG2 VAL A 9 11.343 -0.377 2.593 1.00 71.44 C ATOM 0 H VAL A 9 11.502 -1.834 0.224 1.00 72.10 H new ATOM 0 HA VAL A 9 9.639 -3.339 1.950 1.00 63.13 H new ATOM 0 HB VAL A 9 9.904 -1.554 3.650 1.00 74.20 H new ATOM 0 HG11 VAL A 9 12.158 -2.174 4.461 1.00 24.14 H new ATOM 0 HG12 VAL A 9 11.250 -3.587 3.872 1.00 24.14 H new ATOM 0 HG13 VAL A 9 12.531 -2.870 2.866 1.00 24.14 H new ATOM 0 HG21 VAL A 9 11.773 0.060 3.494 1.00 71.44 H new ATOM 0 HG22 VAL A 9 12.128 -0.521 1.850 1.00 71.44 H new ATOM 0 HG23 VAL A 9 10.582 0.293 2.192 1.00 71.44 H new ATOM 136 N ALA A 10 7.738 -1.684 1.549 1.00 14.01 N ATOM 137 CA ALA A 10 6.608 -0.842 1.134 1.00 41.22 C ATOM 138 C ALA A 10 6.219 0.149 2.244 1.00 30.02 C ATOM 139 O ALA A 10 5.697 -0.245 3.289 1.00 24.31 O ATOM 140 CB ALA A 10 5.413 -1.711 0.754 1.00 22.23 C ATOM 0 H ALA A 10 7.487 -2.436 2.190 1.00 14.01 H new ATOM 0 HA ALA A 10 6.916 -0.266 0.261 1.00 41.22 H new ATOM 0 HB1 ALA A 10 4.583 -1.074 0.448 1.00 22.23 H new ATOM 0 HB2 ALA A 10 5.689 -2.368 -0.071 1.00 22.23 H new ATOM 0 HB3 ALA A 10 5.113 -2.312 1.612 1.00 22.23 H new ATOM 146 N ILE A 11 6.490 1.434 2.019 1.00 4.21 N ATOM 147 CA ILE A 11 6.200 2.471 3.015 1.00 40.25 C ATOM 148 C ILE A 11 4.837 3.133 2.754 1.00 42.45 C ATOM 149 O ILE A 11 4.698 3.948 1.840 1.00 70.55 O ATOM 150 CB ILE A 11 7.294 3.570 3.018 1.00 63.53 C ATOM 151 CG1 ILE A 11 8.701 2.946 3.013 1.00 64.20 C ATOM 152 CG2 ILE A 11 7.120 4.504 4.217 1.00 4.54 C ATOM 153 CD1 ILE A 11 9.002 2.074 4.214 1.00 33.24 C ATOM 0 H ILE A 11 6.909 1.784 1.158 1.00 4.21 H new ATOM 0 HA ILE A 11 6.181 1.976 3.986 1.00 40.25 H new ATOM 0 HB ILE A 11 7.183 4.159 2.108 1.00 63.53 H new ATOM 0 HG12 ILE A 11 8.818 2.350 2.108 1.00 64.20 H new ATOM 0 HG13 ILE A 11 9.440 3.746 2.965 1.00 64.20 H new ATOM 0 HG21 ILE A 11 7.898 5.267 4.200 1.00 4.54 H new ATOM 0 HG22 ILE A 11 6.142 4.982 4.167 1.00 4.54 H new ATOM 0 HG23 ILE A 11 7.196 3.929 5.140 1.00 4.54 H new ATOM 0 HD11 ILE A 11 10.013 1.675 4.130 1.00 33.24 H new ATOM 0 HD12 ILE A 11 8.921 2.668 5.124 1.00 33.24 H new ATOM 0 HD13 ILE A 11 8.289 1.250 4.253 1.00 33.24 H new ATOM 165 N ILE A 12 3.831 2.781 3.552 1.00 3.24 N ATOM 166 CA ILE A 12 2.502 3.381 3.416 1.00 73.44 C ATOM 167 C ILE A 12 2.383 4.655 4.275 1.00 54.13 C ATOM 168 O ILE A 12 2.363 4.599 5.509 1.00 54.05 O ATOM 169 CB ILE A 12 1.363 2.392 3.797 1.00 11.04 C ATOM 170 CG1 ILE A 12 1.377 1.140 2.895 1.00 31.13 C ATOM 171 CG2 ILE A 12 0.008 3.090 3.708 1.00 53.43 C ATOM 172 CD1 ILE A 12 2.463 0.135 3.223 1.00 74.45 C ATOM 0 H ILE A 12 3.908 2.088 4.296 1.00 3.24 H new ATOM 0 HA ILE A 12 2.387 3.638 2.363 1.00 73.44 H new ATOM 0 HB ILE A 12 1.532 2.067 4.823 1.00 11.04 H new ATOM 0 HG12 ILE A 12 0.409 0.645 2.969 1.00 31.13 H new ATOM 0 HG13 ILE A 12 1.495 1.457 1.859 1.00 31.13 H new ATOM 0 HG21 ILE A 12 -0.781 2.388 3.977 1.00 53.43 H new ATOM 0 HG22 ILE A 12 -0.011 3.937 4.394 1.00 53.43 H new ATOM 0 HG23 ILE A 12 -0.153 3.444 2.690 1.00 53.43 H new ATOM 0 HD11 ILE A 12 2.395 -0.710 2.538 1.00 74.45 H new ATOM 0 HD12 ILE A 12 3.440 0.608 3.120 1.00 74.45 H new ATOM 0 HD13 ILE A 12 2.336 -0.216 4.247 1.00 74.45 H new ATOM 184 N SER A 13 2.322 5.803 3.607 1.00 50.10 N ATOM 185 CA SER A 13 2.191 7.100 4.283 1.00 15.52 C ATOM 186 C SER A 13 0.872 7.787 3.906 1.00 54.25 C ATOM 187 O SER A 13 0.570 7.956 2.728 1.00 24.05 O ATOM 188 CB SER A 13 3.377 8.008 3.918 1.00 12.13 C ATOM 189 OG SER A 13 3.487 8.198 2.512 1.00 61.34 O ATOM 0 H SER A 13 2.361 5.866 2.590 1.00 50.10 H new ATOM 0 HA SER A 13 2.190 6.923 5.359 1.00 15.52 H new ATOM 0 HB2 SER A 13 3.258 8.975 4.407 1.00 12.13 H new ATOM 0 HB3 SER A 13 4.300 7.570 4.298 1.00 12.13 H new ATOM 0 HG SER A 13 2.946 7.525 2.048 1.00 61.34 H new ATOM 195 N GLN A 14 0.095 8.194 4.907 1.00 35.35 N ATOM 196 CA GLN A 14 -1.191 8.863 4.670 1.00 5.41 C ATOM 197 C GLN A 14 -1.184 10.277 5.270 1.00 35.32 C ATOM 198 O GLN A 14 -0.544 10.522 6.290 1.00 64.43 O ATOM 199 CB GLN A 14 -2.341 8.034 5.262 1.00 14.02 C ATOM 200 CG GLN A 14 -3.734 8.541 4.892 1.00 55.50 C ATOM 201 CD GLN A 14 -4.849 7.670 5.451 1.00 0.32 C ATOM 202 OE1 GLN A 14 -4.711 7.061 6.504 1.00 2.23 O ATOM 203 NE2 GLN A 14 -5.964 7.602 4.749 1.00 31.34 N ATOM 0 H GLN A 14 0.330 8.074 5.892 1.00 35.35 H new ATOM 0 HA GLN A 14 -1.342 8.949 3.594 1.00 5.41 H new ATOM 0 HB2 GLN A 14 -2.241 7.002 4.925 1.00 14.02 H new ATOM 0 HB3 GLN A 14 -2.246 8.026 6.348 1.00 14.02 H new ATOM 0 HG2 GLN A 14 -3.855 9.559 5.262 1.00 55.50 H new ATOM 0 HG3 GLN A 14 -3.823 8.584 3.806 1.00 55.50 H new ATOM 0 HE21 GLN A 14 -6.049 8.121 3.875 1.00 31.34 H new ATOM 0 HE22 GLN A 14 -6.741 7.030 5.080 1.00 31.34 H new ATOM 212 N ASN A 15 -1.886 11.208 4.616 1.00 50.43 N ATOM 213 CA ASN A 15 -1.918 12.625 5.033 1.00 50.31 C ATOM 214 C ASN A 15 -0.536 13.290 4.904 1.00 74.03 C ATOM 215 O ASN A 15 -0.354 14.437 5.313 1.00 53.53 O ATOM 216 CB ASN A 15 -2.430 12.776 6.478 1.00 1.24 C ATOM 217 CG ASN A 15 -3.860 12.307 6.650 1.00 34.23 C ATOM 218 OD1 ASN A 15 -4.806 13.065 6.455 1.00 41.31 O ATOM 219 ND2 ASN A 15 -4.036 11.061 7.037 1.00 25.20 N ATOM 0 H ASN A 15 -2.447 11.009 3.787 1.00 50.43 H new ATOM 0 HA ASN A 15 -2.610 13.130 4.359 1.00 50.31 H new ATOM 0 HB2 ASN A 15 -1.784 12.208 7.148 1.00 1.24 H new ATOM 0 HB3 ASN A 15 -2.358 13.822 6.776 1.00 1.24 H new ATOM 0 HD21 ASN A 15 -4.979 10.701 7.183 1.00 25.20 H new ATOM 0 HD22 ASN A 15 -3.229 10.456 7.191 1.00 25.20 H new ATOM 226 N GLY A 16 0.426 12.572 4.322 1.00 4.21 N ATOM 227 CA GLY A 16 1.787 13.092 4.192 1.00 2.23 C ATOM 228 C GLY A 16 2.754 12.514 5.225 1.00 64.43 C ATOM 229 O GLY A 16 3.949 12.808 5.195 1.00 3.42 O ATOM 0 H GLY A 16 0.290 11.637 3.937 1.00 4.21 H new ATOM 0 HA2 GLY A 16 2.159 12.871 3.192 1.00 2.23 H new ATOM 0 HA3 GLY A 16 1.765 14.177 4.291 1.00 2.23 H new ATOM 233 N LYS A 17 2.239 11.688 6.138 1.00 73.02 N ATOM 234 CA LYS A 17 3.064 11.068 7.186 1.00 72.31 C ATOM 235 C LYS A 17 2.930 9.535 7.179 1.00 42.31 C ATOM 236 O LYS A 17 1.899 8.991 6.781 1.00 21.15 O ATOM 237 CB LYS A 17 2.678 11.629 8.564 1.00 31.34 C ATOM 238 CG LYS A 17 1.198 11.477 8.907 1.00 40.11 C ATOM 239 CD LYS A 17 0.877 12.063 10.281 1.00 33.21 C ATOM 240 CE LYS A 17 -0.615 12.025 10.590 1.00 51.04 C ATOM 241 NZ LYS A 17 -0.915 12.602 11.927 1.00 64.32 N ATOM 0 H LYS A 17 1.253 11.430 6.176 1.00 73.02 H new ATOM 0 HA LYS A 17 4.106 11.311 6.978 1.00 72.31 H new ATOM 0 HB2 LYS A 17 3.270 11.126 9.328 1.00 31.34 H new ATOM 0 HB3 LYS A 17 2.942 12.686 8.601 1.00 31.34 H new ATOM 0 HG2 LYS A 17 0.595 11.975 8.148 1.00 40.11 H new ATOM 0 HG3 LYS A 17 0.926 10.422 8.888 1.00 40.11 H new ATOM 0 HD2 LYS A 17 1.419 11.507 11.046 1.00 33.21 H new ATOM 0 HD3 LYS A 17 1.229 13.094 10.326 1.00 33.21 H new ATOM 0 HE2 LYS A 17 -1.159 12.578 9.825 1.00 51.04 H new ATOM 0 HE3 LYS A 17 -0.969 10.995 10.551 1.00 51.04 H new ATOM 0 HZ1 LYS A 17 -1.939 12.559 12.102 1.00 64.32 H new ATOM 0 HZ2 LYS A 17 -0.415 12.059 12.660 1.00 64.32 H new ATOM 0 HZ3 LYS A 17 -0.600 13.593 11.956 1.00 64.32 H new ATOM 255 N VAL A 18 3.978 8.844 7.622 1.00 32.32 N ATOM 256 CA VAL A 18 4.005 7.375 7.612 1.00 15.12 C ATOM 257 C VAL A 18 3.041 6.777 8.650 1.00 34.44 C ATOM 258 O VAL A 18 3.097 7.115 9.836 1.00 73.02 O ATOM 259 CB VAL A 18 5.434 6.833 7.871 1.00 1.34 C ATOM 260 CG1 VAL A 18 5.457 5.304 7.813 1.00 61.41 C ATOM 261 CG2 VAL A 18 6.422 7.433 6.870 1.00 55.14 C ATOM 0 H VAL A 18 4.824 9.275 7.994 1.00 32.32 H new ATOM 0 HA VAL A 18 3.681 7.069 6.617 1.00 15.12 H new ATOM 0 HB VAL A 18 5.738 7.133 8.874 1.00 1.34 H new ATOM 0 HG11 VAL A 18 6.471 4.948 7.998 1.00 61.41 H new ATOM 0 HG12 VAL A 18 4.787 4.901 8.572 1.00 61.41 H new ATOM 0 HG13 VAL A 18 5.130 4.972 6.827 1.00 61.41 H new ATOM 0 HG21 VAL A 18 7.421 7.042 7.066 1.00 55.14 H new ATOM 0 HG22 VAL A 18 6.120 7.167 5.857 1.00 55.14 H new ATOM 0 HG23 VAL A 18 6.430 8.518 6.973 1.00 55.14 H new ATOM 271 N ILE A 19 2.155 5.888 8.197 1.00 5.11 N ATOM 272 CA ILE A 19 1.179 5.237 9.087 1.00 51.12 C ATOM 273 C ILE A 19 1.467 3.734 9.251 1.00 1.12 C ATOM 274 O ILE A 19 1.097 3.127 10.259 1.00 71.33 O ATOM 275 CB ILE A 19 -0.272 5.420 8.569 1.00 11.34 C ATOM 276 CG1 ILE A 19 -0.463 4.714 7.213 1.00 64.13 C ATOM 277 CG2 ILE A 19 -0.604 6.909 8.453 1.00 42.13 C ATOM 278 CD1 ILE A 19 -1.890 4.737 6.701 1.00 54.53 C ATOM 0 H ILE A 19 2.089 5.599 7.221 1.00 5.11 H new ATOM 0 HA ILE A 19 1.279 5.723 10.058 1.00 51.12 H new ATOM 0 HB ILE A 19 -0.956 4.963 9.285 1.00 11.34 H new ATOM 0 HG12 ILE A 19 0.185 5.187 6.475 1.00 64.13 H new ATOM 0 HG13 ILE A 19 -0.138 3.678 7.306 1.00 64.13 H new ATOM 0 HG21 ILE A 19 -1.625 7.027 8.089 1.00 42.13 H new ATOM 0 HG22 ILE A 19 -0.511 7.380 9.432 1.00 42.13 H new ATOM 0 HG23 ILE A 19 0.087 7.383 7.756 1.00 42.13 H new ATOM 0 HD11 ILE A 19 -1.941 4.220 5.743 1.00 54.53 H new ATOM 0 HD12 ILE A 19 -2.542 4.238 7.418 1.00 54.53 H new ATOM 0 HD13 ILE A 19 -2.214 5.770 6.574 1.00 54.53 H new ATOM 290 N ARG A 20 2.123 3.142 8.252 1.00 1.21 N ATOM 291 CA ARG A 20 2.439 1.707 8.267 1.00 35.23 C ATOM 292 C ARG A 20 3.502 1.374 7.210 1.00 3.33 C ATOM 293 O ARG A 20 3.334 1.691 6.038 1.00 2.35 O ATOM 294 CB ARG A 20 1.162 0.888 7.996 1.00 41.31 C ATOM 295 CG ARG A 20 1.358 -0.631 7.997 1.00 11.52 C ATOM 296 CD ARG A 20 1.461 -1.224 9.405 1.00 32.03 C ATOM 297 NE ARG A 20 2.687 -0.838 10.110 1.00 24.13 N ATOM 298 CZ ARG A 20 3.435 -1.671 10.790 1.00 31.13 C ATOM 299 NH1 ARG A 20 3.149 -2.936 10.833 1.00 23.50 N ATOM 300 NH2 ARG A 20 4.476 -1.233 11.414 1.00 54.21 N ATOM 0 H ARG A 20 2.448 3.633 7.419 1.00 1.21 H new ATOM 0 HA ARG A 20 2.834 1.450 9.250 1.00 35.23 H new ATOM 0 HB2 ARG A 20 0.417 1.144 8.749 1.00 41.31 H new ATOM 0 HB3 ARG A 20 0.754 1.187 7.030 1.00 41.31 H new ATOM 0 HG2 ARG A 20 0.525 -1.099 7.473 1.00 11.52 H new ATOM 0 HG3 ARG A 20 2.263 -0.875 7.440 1.00 11.52 H new ATOM 0 HD2 ARG A 20 0.598 -0.905 9.990 1.00 32.03 H new ATOM 0 HD3 ARG A 20 1.416 -2.311 9.338 1.00 32.03 H new ATOM 0 HE ARG A 20 2.975 0.140 10.068 1.00 24.13 H new ATOM 0 HH11 ARG A 20 2.334 -3.292 10.334 1.00 23.50 H new ATOM 0 HH12 ARG A 20 3.739 -3.575 11.366 1.00 23.50 H new ATOM 0 HH21 ARG A 20 4.714 -0.242 11.377 1.00 54.21 H new ATOM 0 HH22 ARG A 20 5.061 -1.878 11.945 1.00 54.21 H new ATOM 314 N GLU A 21 4.600 0.746 7.621 1.00 24.50 N ATOM 315 CA GLU A 21 5.639 0.330 6.672 1.00 2.05 C ATOM 316 C GLU A 21 5.898 -1.182 6.768 1.00 33.04 C ATOM 317 O GLU A 21 6.254 -1.702 7.827 1.00 3.11 O ATOM 318 CB GLU A 21 6.934 1.130 6.898 1.00 62.22 C ATOM 319 CG GLU A 21 7.545 0.984 8.287 1.00 20.33 C ATOM 320 CD GLU A 21 8.776 1.857 8.483 1.00 10.21 C ATOM 321 OE1 GLU A 21 9.796 1.619 7.803 1.00 23.23 O ATOM 322 OE2 GLU A 21 8.730 2.781 9.325 1.00 70.22 O ATOM 0 H GLU A 21 4.796 0.514 8.595 1.00 24.50 H new ATOM 0 HA GLU A 21 5.283 0.542 5.664 1.00 2.05 H new ATOM 0 HB2 GLU A 21 7.671 0.817 6.158 1.00 62.22 H new ATOM 0 HB3 GLU A 21 6.728 2.185 6.717 1.00 62.22 H new ATOM 0 HG2 GLU A 21 6.798 1.243 9.037 1.00 20.33 H new ATOM 0 HG3 GLU A 21 7.814 -0.059 8.453 1.00 20.33 H new ATOM 329 N ILE A 22 5.698 -1.888 5.657 1.00 43.23 N ATOM 330 CA ILE A 22 5.823 -3.352 5.634 1.00 0.53 C ATOM 331 C ILE A 22 6.942 -3.821 4.691 1.00 11.41 C ATOM 332 O ILE A 22 6.837 -3.686 3.468 1.00 11.45 O ATOM 333 CB ILE A 22 4.485 -4.017 5.209 1.00 13.22 C ATOM 334 CG1 ILE A 22 3.369 -3.649 6.204 1.00 70.13 C ATOM 335 CG2 ILE A 22 4.637 -5.540 5.104 1.00 73.31 C ATOM 336 CD1 ILE A 22 2.011 -4.199 5.838 1.00 50.20 C ATOM 0 H ILE A 22 5.449 -1.474 4.759 1.00 43.23 H new ATOM 0 HA ILE A 22 6.077 -3.658 6.649 1.00 0.53 H new ATOM 0 HB ILE A 22 4.212 -3.640 4.223 1.00 13.22 H new ATOM 0 HG12 ILE A 22 3.643 -4.016 7.193 1.00 70.13 H new ATOM 0 HG13 ILE A 22 3.303 -2.563 6.274 1.00 70.13 H new ATOM 0 HG21 ILE A 22 3.686 -5.981 4.805 1.00 73.31 H new ATOM 0 HG22 ILE A 22 5.398 -5.779 4.361 1.00 73.31 H new ATOM 0 HG23 ILE A 22 4.936 -5.943 6.072 1.00 73.31 H new ATOM 0 HD11 ILE A 22 1.281 -3.895 6.588 1.00 50.20 H new ATOM 0 HD12 ILE A 22 1.712 -3.812 4.864 1.00 50.20 H new ATOM 0 HD13 ILE A 22 2.058 -5.287 5.797 1.00 50.20 H new ATOM 348 N PRO A 23 8.042 -4.364 5.249 1.00 31.14 N ATOM 349 CA PRO A 23 9.092 -5.023 4.452 1.00 33.22 C ATOM 350 C PRO A 23 8.540 -6.215 3.648 1.00 21.12 C ATOM 351 O PRO A 23 8.048 -7.189 4.224 1.00 24.34 O ATOM 352 CB PRO A 23 10.103 -5.500 5.511 1.00 2.53 C ATOM 353 CG PRO A 23 9.847 -4.635 6.700 1.00 63.41 C ATOM 354 CD PRO A 23 8.370 -4.349 6.687 1.00 55.25 C ATOM 0 HA PRO A 23 9.527 -4.354 3.710 1.00 33.22 H new ATOM 0 HB2 PRO A 23 9.958 -6.554 5.750 1.00 2.53 H new ATOM 0 HB3 PRO A 23 11.128 -5.392 5.156 1.00 2.53 H new ATOM 0 HG2 PRO A 23 10.140 -5.139 7.621 1.00 63.41 H new ATOM 0 HG3 PRO A 23 10.425 -3.712 6.644 1.00 63.41 H new ATOM 0 HD2 PRO A 23 7.808 -5.104 7.237 1.00 55.25 H new ATOM 0 HD3 PRO A 23 8.141 -3.386 7.143 1.00 55.25 H new ATOM 362 N LEU A 24 8.621 -6.127 2.321 1.00 34.20 N ATOM 363 CA LEU A 24 8.069 -7.162 1.436 1.00 73.00 C ATOM 364 C LEU A 24 8.944 -8.423 1.430 1.00 15.10 C ATOM 365 O LEU A 24 8.471 -9.525 1.717 1.00 73.30 O ATOM 366 CB LEU A 24 7.932 -6.609 0.008 1.00 21.41 C ATOM 367 CG LEU A 24 7.039 -5.365 -0.132 1.00 54.21 C ATOM 368 CD1 LEU A 24 6.980 -4.899 -1.585 1.00 21.22 C ATOM 369 CD2 LEU A 24 5.638 -5.640 0.406 1.00 15.52 C ATOM 0 H LEU A 24 9.064 -5.350 1.831 1.00 34.20 H new ATOM 0 HA LEU A 24 7.086 -7.440 1.815 1.00 73.00 H new ATOM 0 HB2 LEU A 24 8.926 -6.366 -0.367 1.00 21.41 H new ATOM 0 HB3 LEU A 24 7.533 -7.396 -0.632 1.00 21.41 H new ATOM 0 HG LEU A 24 7.479 -4.564 0.462 1.00 54.21 H new ATOM 0 HD11 LEU A 24 6.343 -4.018 -1.659 1.00 21.22 H new ATOM 0 HD12 LEU A 24 7.984 -4.650 -1.928 1.00 21.22 H new ATOM 0 HD13 LEU A 24 6.571 -5.696 -2.206 1.00 21.22 H new ATOM 0 HD21 LEU A 24 5.024 -4.746 0.297 1.00 15.52 H new ATOM 0 HD22 LEU A 24 5.188 -6.460 -0.154 1.00 15.52 H new ATOM 0 HD23 LEU A 24 5.700 -5.911 1.460 1.00 15.52 H new ATOM 381 N THR A 25 10.221 -8.249 1.102 1.00 51.00 N ATOM 382 CA THR A 25 11.176 -9.361 1.048 1.00 4.24 C ATOM 383 C THR A 25 11.248 -10.114 2.384 1.00 71.51 C ATOM 384 O THR A 25 11.339 -9.503 3.454 1.00 54.22 O ATOM 385 CB THR A 25 12.591 -8.864 0.679 1.00 54.44 C ATOM 386 OG1 THR A 25 12.517 -7.976 -0.447 1.00 50.21 O ATOM 387 CG2 THR A 25 13.517 -10.028 0.346 1.00 54.32 C ATOM 0 H THR A 25 10.625 -7.342 0.867 1.00 51.00 H new ATOM 0 HA THR A 25 10.816 -10.042 0.277 1.00 4.24 H new ATOM 0 HB THR A 25 12.998 -8.336 1.542 1.00 54.44 H new ATOM 0 HG1 THR A 25 13.036 -8.347 -1.191 1.00 50.21 H new ATOM 0 HG21 THR A 25 14.505 -9.645 0.090 1.00 54.32 H new ATOM 0 HG22 THR A 25 13.596 -10.689 1.209 1.00 54.32 H new ATOM 0 HG23 THR A 25 13.113 -10.584 -0.500 1.00 54.32 H new ATOM 395 N GLY A 26 11.206 -11.439 2.315 1.00 14.22 N ATOM 396 CA GLY A 26 11.211 -12.264 3.517 1.00 53.24 C ATOM 397 C GLY A 26 9.821 -12.765 3.898 1.00 63.51 C ATOM 398 O GLY A 26 9.681 -13.795 4.566 1.00 65.43 O ATOM 0 H GLY A 26 11.168 -11.964 1.442 1.00 14.22 H new ATOM 0 HA2 GLY A 26 11.870 -13.118 3.363 1.00 53.24 H new ATOM 0 HA3 GLY A 26 11.624 -11.688 4.345 1.00 53.24 H new ATOM 402 N HIS A 27 8.794 -12.033 3.467 1.00 13.21 N ATOM 403 CA HIS A 27 7.408 -12.391 3.760 1.00 21.14 C ATOM 404 C HIS A 27 6.938 -13.581 2.908 1.00 3.41 C ATOM 405 O HIS A 27 7.190 -13.644 1.708 1.00 1.13 O ATOM 406 CB HIS A 27 6.485 -11.187 3.530 1.00 44.04 C ATOM 407 CG HIS A 27 5.034 -11.503 3.730 1.00 10.11 C ATOM 408 ND1 HIS A 27 4.162 -11.713 2.686 1.00 60.14 N ATOM 409 CD2 HIS A 27 4.306 -11.666 4.861 1.00 4.51 C ATOM 410 CE1 HIS A 27 2.966 -11.994 3.160 1.00 64.54 C ATOM 411 NE2 HIS A 27 3.024 -11.971 4.476 1.00 63.41 N ATOM 0 H HIS A 27 8.898 -11.184 2.911 1.00 13.21 H new ATOM 0 HA HIS A 27 7.360 -12.687 4.808 1.00 21.14 H new ATOM 0 HB2 HIS A 27 6.771 -10.384 4.209 1.00 44.04 H new ATOM 0 HB3 HIS A 27 6.632 -10.814 2.516 1.00 44.04 H new ATOM 0 HD1 HIS A 27 4.405 -11.659 1.697 1.00 60.14 H new ATOM 0 HD2 HIS A 27 4.666 -11.573 5.875 1.00 4.51 H new ATOM 0 HE1 HIS A 27 2.087 -12.207 2.570 1.00 64.54 H new ATOM 420 N LYS A 28 6.245 -14.517 3.544 1.00 1.14 N ATOM 421 CA LYS A 28 5.709 -15.693 2.858 1.00 52.43 C ATOM 422 C LYS A 28 4.192 -15.805 3.069 1.00 42.31 C ATOM 423 O LYS A 28 3.668 -15.432 4.123 1.00 3.11 O ATOM 424 CB LYS A 28 6.431 -16.950 3.365 1.00 73.13 C ATOM 425 CG LYS A 28 6.309 -17.164 4.873 1.00 70.20 C ATOM 426 CD LYS A 28 7.368 -18.128 5.407 1.00 65.44 C ATOM 427 CE LYS A 28 8.775 -17.553 5.273 1.00 52.23 C ATOM 428 NZ LYS A 28 8.926 -16.265 6.008 1.00 42.00 N ATOM 0 H LYS A 28 6.038 -14.486 4.542 1.00 1.14 H new ATOM 0 HA LYS A 28 5.882 -15.593 1.787 1.00 52.43 H new ATOM 0 HB2 LYS A 28 6.028 -17.822 2.850 1.00 73.13 H new ATOM 0 HB3 LYS A 28 7.486 -16.883 3.101 1.00 73.13 H new ATOM 0 HG2 LYS A 28 6.403 -16.205 5.383 1.00 70.20 H new ATOM 0 HG3 LYS A 28 5.317 -17.552 5.104 1.00 70.20 H new ATOM 0 HD2 LYS A 28 7.164 -18.349 6.455 1.00 65.44 H new ATOM 0 HD3 LYS A 28 7.308 -19.072 4.865 1.00 65.44 H new ATOM 0 HE2 LYS A 28 9.499 -18.274 5.653 1.00 52.23 H new ATOM 0 HE3 LYS A 28 9.004 -17.397 4.219 1.00 52.23 H new ATOM 0 HZ1 LYS A 28 9.038 -15.487 5.326 1.00 42.00 H new ATOM 0 HZ2 LYS A 28 8.081 -16.096 6.590 1.00 42.00 H new ATOM 0 HZ3 LYS A 28 9.765 -16.311 6.621 1.00 42.00 H new ATOM 442 N GLY A 29 3.487 -16.302 2.061 1.00 22.00 N ATOM 443 CA GLY A 29 2.035 -16.400 2.132 1.00 2.10 C ATOM 444 C GLY A 29 1.332 -15.119 1.681 1.00 14.41 C ATOM 445 O GLY A 29 1.918 -14.289 0.986 1.00 1.44 O ATOM 0 H GLY A 29 3.894 -16.642 1.190 1.00 22.00 H new ATOM 0 HA2 GLY A 29 1.701 -17.231 1.510 1.00 2.10 H new ATOM 0 HA3 GLY A 29 1.740 -16.629 3.156 1.00 2.10 H new ATOM 449 N ASN A 30 0.079 -14.944 2.097 1.00 30.41 N ATOM 450 CA ASN A 30 -0.731 -13.792 1.672 1.00 22.11 C ATOM 451 C ASN A 30 -1.147 -12.931 2.881 1.00 24.01 C ATOM 452 O ASN A 30 -1.678 -13.440 3.870 1.00 52.23 O ATOM 453 CB ASN A 30 -1.967 -14.281 0.906 1.00 5.44 C ATOM 454 CG ASN A 30 -2.767 -13.147 0.289 1.00 43.41 C ATOM 455 OD1 ASN A 30 -3.657 -12.587 0.918 1.00 25.30 O ATOM 456 ND2 ASN A 30 -2.465 -12.805 -0.949 1.00 33.34 N ATOM 0 H ASN A 30 -0.403 -15.584 2.729 1.00 30.41 H new ATOM 0 HA ASN A 30 -0.128 -13.168 1.013 1.00 22.11 H new ATOM 0 HB2 ASN A 30 -1.653 -14.967 0.119 1.00 5.44 H new ATOM 0 HB3 ASN A 30 -2.608 -14.845 1.583 1.00 5.44 H new ATOM 0 HD21 ASN A 30 -2.978 -12.054 -1.410 1.00 33.34 H new ATOM 0 HD22 ASN A 30 -1.718 -13.292 -1.445 1.00 33.34 H new ATOM 463 N GLU A 31 -0.901 -11.626 2.789 1.00 52.23 N ATOM 464 CA GLU A 31 -1.194 -10.687 3.884 1.00 3.43 C ATOM 465 C GLU A 31 -2.128 -9.568 3.392 1.00 62.22 C ATOM 466 O GLU A 31 -1.913 -9.014 2.318 1.00 13.21 O ATOM 467 CB GLU A 31 0.119 -10.078 4.405 1.00 35.14 C ATOM 468 CG GLU A 31 -0.004 -9.367 5.750 1.00 23.00 C ATOM 469 CD GLU A 31 -0.159 -10.337 6.911 1.00 62.01 C ATOM 470 OE1 GLU A 31 0.874 -10.785 7.454 1.00 33.15 O ATOM 471 OE2 GLU A 31 -1.306 -10.669 7.277 1.00 32.42 O ATOM 0 H GLU A 31 -0.496 -11.186 1.963 1.00 52.23 H new ATOM 0 HA GLU A 31 -1.690 -11.227 4.691 1.00 3.43 H new ATOM 0 HB2 GLU A 31 0.862 -10.870 4.494 1.00 35.14 H new ATOM 0 HB3 GLU A 31 0.495 -9.370 3.667 1.00 35.14 H new ATOM 0 HG2 GLU A 31 0.879 -8.749 5.913 1.00 23.00 H new ATOM 0 HG3 GLU A 31 -0.862 -8.696 5.725 1.00 23.00 H new ATOM 478 N GLN A 32 -3.157 -9.230 4.170 1.00 35.44 N ATOM 479 CA GLN A 32 -4.142 -8.219 3.744 1.00 22.52 C ATOM 480 C GLN A 32 -4.453 -7.219 4.877 1.00 54.24 C ATOM 481 O GLN A 32 -4.760 -7.617 6.001 1.00 3.55 O ATOM 482 CB GLN A 32 -5.444 -8.910 3.297 1.00 2.51 C ATOM 483 CG GLN A 32 -5.233 -10.080 2.338 1.00 1.22 C ATOM 484 CD GLN A 32 -6.527 -10.795 1.981 1.00 11.31 C ATOM 485 OE1 GLN A 32 -6.966 -11.700 2.680 1.00 60.14 O ATOM 486 NE2 GLN A 32 -7.128 -10.421 0.872 1.00 32.12 N ATOM 0 H GLN A 32 -3.335 -9.633 5.090 1.00 35.44 H new ATOM 0 HA GLN A 32 -3.711 -7.666 2.910 1.00 22.52 H new ATOM 0 HB2 GLN A 32 -5.973 -9.269 4.180 1.00 2.51 H new ATOM 0 HB3 GLN A 32 -6.088 -8.173 2.817 1.00 2.51 H new ATOM 0 HG2 GLN A 32 -4.762 -9.714 1.425 1.00 1.22 H new ATOM 0 HG3 GLN A 32 -4.543 -10.793 2.789 1.00 1.22 H new ATOM 0 HE21 GLN A 32 -6.738 -9.664 0.311 1.00 32.12 H new ATOM 0 HE22 GLN A 32 -7.984 -10.888 0.573 1.00 32.12 H new ATOM 495 N PHE A 33 -4.380 -5.921 4.574 1.00 43.25 N ATOM 496 CA PHE A 33 -4.707 -4.877 5.557 1.00 14.02 C ATOM 497 C PHE A 33 -5.525 -3.737 4.926 1.00 73.42 C ATOM 498 O PHE A 33 -5.231 -3.274 3.821 1.00 72.33 O ATOM 499 CB PHE A 33 -3.432 -4.328 6.226 1.00 4.44 C ATOM 500 CG PHE A 33 -2.425 -3.711 5.284 1.00 25.01 C ATOM 501 CD1 PHE A 33 -1.483 -4.499 4.637 1.00 52.31 C ATOM 502 CD2 PHE A 33 -2.406 -2.339 5.061 1.00 2.43 C ATOM 503 CE1 PHE A 33 -0.548 -3.934 3.791 1.00 71.21 C ATOM 504 CE2 PHE A 33 -1.473 -1.771 4.216 1.00 64.31 C ATOM 505 CZ PHE A 33 -0.544 -2.570 3.580 1.00 62.35 C ATOM 0 H PHE A 33 -4.099 -5.565 3.660 1.00 43.25 H new ATOM 0 HA PHE A 33 -5.325 -5.340 6.326 1.00 14.02 H new ATOM 0 HB2 PHE A 33 -3.722 -3.579 6.963 1.00 4.44 H new ATOM 0 HB3 PHE A 33 -2.948 -5.140 6.769 1.00 4.44 H new ATOM 0 HD1 PHE A 33 -1.481 -5.567 4.797 1.00 52.31 H new ATOM 0 HD2 PHE A 33 -3.131 -1.709 5.555 1.00 2.43 H new ATOM 0 HE1 PHE A 33 0.179 -4.559 3.295 1.00 71.21 H new ATOM 0 HE2 PHE A 33 -1.470 -0.703 4.053 1.00 64.31 H new ATOM 0 HZ PHE A 33 0.186 -2.128 2.918 1.00 62.35 H new ATOM 515 N THR A 34 -6.561 -3.295 5.639 1.00 1.33 N ATOM 516 CA THR A 34 -7.480 -2.264 5.137 1.00 22.22 C ATOM 517 C THR A 34 -7.226 -0.896 5.786 1.00 71.31 C ATOM 518 O THR A 34 -7.422 -0.718 6.990 1.00 72.05 O ATOM 519 CB THR A 34 -8.958 -2.658 5.391 1.00 20.03 C ATOM 520 OG1 THR A 34 -9.217 -3.969 4.866 1.00 12.04 O ATOM 521 CG2 THR A 34 -9.917 -1.653 4.754 1.00 41.42 C ATOM 0 H THR A 34 -6.789 -3.636 6.573 1.00 1.33 H new ATOM 0 HA THR A 34 -7.293 -2.189 4.066 1.00 22.22 H new ATOM 0 HB THR A 34 -9.123 -2.656 6.468 1.00 20.03 H new ATOM 0 HG1 THR A 34 -10.152 -4.209 5.033 1.00 12.04 H new ATOM 0 HG21 THR A 34 -10.945 -1.957 4.950 1.00 41.42 H new ATOM 0 HG22 THR A 34 -9.744 -0.665 5.179 1.00 41.42 H new ATOM 0 HG23 THR A 34 -9.747 -1.620 3.678 1.00 41.42 H new ATOM 529 N ILE A 35 -6.786 0.065 4.980 1.00 63.03 N ATOM 530 CA ILE A 35 -6.593 1.443 5.437 1.00 44.31 C ATOM 531 C ILE A 35 -7.930 2.204 5.446 1.00 73.34 C ATOM 532 O ILE A 35 -8.742 2.046 4.537 1.00 62.34 O ATOM 533 CB ILE A 35 -5.591 2.191 4.522 1.00 74.33 C ATOM 534 CG1 ILE A 35 -4.282 1.389 4.392 1.00 21.20 C ATOM 535 CG2 ILE A 35 -5.313 3.599 5.054 1.00 10.31 C ATOM 536 CD1 ILE A 35 -3.291 1.986 3.413 1.00 35.55 C ATOM 0 H ILE A 35 -6.554 -0.084 3.998 1.00 63.03 H new ATOM 0 HA ILE A 35 -6.193 1.402 6.450 1.00 44.31 H new ATOM 0 HB ILE A 35 -6.037 2.288 3.532 1.00 74.33 H new ATOM 0 HG12 ILE A 35 -3.812 1.319 5.373 1.00 21.20 H new ATOM 0 HG13 ILE A 35 -4.520 0.372 4.079 1.00 21.20 H new ATOM 0 HG21 ILE A 35 -4.607 4.104 4.395 1.00 10.31 H new ATOM 0 HG22 ILE A 35 -6.244 4.165 5.090 1.00 10.31 H new ATOM 0 HG23 ILE A 35 -4.890 3.532 6.056 1.00 10.31 H new ATOM 0 HD11 ILE A 35 -2.396 1.365 3.377 1.00 35.55 H new ATOM 0 HD12 ILE A 35 -3.741 2.031 2.421 1.00 35.55 H new ATOM 0 HD13 ILE A 35 -3.022 2.992 3.735 1.00 35.55 H new ATOM 548 N LYS A 36 -8.161 3.019 6.473 1.00 2.32 N ATOM 549 CA LYS A 36 -9.419 3.769 6.597 1.00 44.42 C ATOM 550 C LYS A 36 -9.195 5.290 6.518 1.00 51.22 C ATOM 551 O LYS A 36 -8.590 5.888 7.409 1.00 21.35 O ATOM 552 CB LYS A 36 -10.119 3.397 7.914 1.00 53.11 C ATOM 553 CG LYS A 36 -10.485 1.917 8.007 1.00 23.22 C ATOM 554 CD LYS A 36 -11.164 1.577 9.331 1.00 21.42 C ATOM 555 CE LYS A 36 -11.582 0.109 9.384 1.00 74.11 C ATOM 556 NZ LYS A 36 -12.248 -0.240 10.664 1.00 70.54 N ATOM 0 H LYS A 36 -7.499 3.180 7.232 1.00 2.32 H new ATOM 0 HA LYS A 36 -10.056 3.494 5.756 1.00 44.42 H new ATOM 0 HB2 LYS A 36 -9.468 3.656 8.749 1.00 53.11 H new ATOM 0 HB3 LYS A 36 -11.024 3.995 8.018 1.00 53.11 H new ATOM 0 HG2 LYS A 36 -11.148 1.655 7.182 1.00 23.22 H new ATOM 0 HG3 LYS A 36 -9.584 1.313 7.896 1.00 23.22 H new ATOM 0 HD2 LYS A 36 -10.485 1.793 10.156 1.00 21.42 H new ATOM 0 HD3 LYS A 36 -12.040 2.211 9.465 1.00 21.42 H new ATOM 0 HE2 LYS A 36 -12.257 -0.105 8.555 1.00 74.11 H new ATOM 0 HE3 LYS A 36 -10.703 -0.522 9.250 1.00 74.11 H new ATOM 0 HZ1 LYS A 36 -12.514 -1.245 10.654 1.00 70.54 H new ATOM 0 HZ2 LYS A 36 -11.596 -0.062 11.454 1.00 70.54 H new ATOM 0 HZ3 LYS A 36 -13.102 0.342 10.781 1.00 70.54 H new ATOM 570 N GLY A 37 -9.682 5.907 5.441 1.00 41.23 N ATOM 571 CA GLY A 37 -9.559 7.355 5.271 1.00 42.44 C ATOM 572 C GLY A 37 -10.804 8.120 5.726 1.00 25.21 C ATOM 573 O GLY A 37 -11.424 7.772 6.732 1.00 2.33 O ATOM 0 H GLY A 37 -10.162 5.430 4.678 1.00 41.23 H new ATOM 0 HA2 GLY A 37 -8.696 7.709 5.835 1.00 42.44 H new ATOM 0 HA3 GLY A 37 -9.367 7.577 4.221 1.00 42.44 H new ATOM 577 N LYS A 38 -11.172 9.163 4.983 1.00 1.14 N ATOM 578 CA LYS A 38 -12.329 9.996 5.338 1.00 21.12 C ATOM 579 C LYS A 38 -13.662 9.317 4.963 1.00 13.44 C ATOM 580 O LYS A 38 -14.207 9.517 3.874 1.00 64.33 O ATOM 581 CB LYS A 38 -12.205 11.395 4.695 1.00 53.12 C ATOM 582 CG LYS A 38 -12.029 11.386 3.174 1.00 21.45 C ATOM 583 CD LYS A 38 -11.683 12.773 2.622 1.00 12.12 C ATOM 584 CE LYS A 38 -12.780 13.800 2.895 1.00 53.12 C ATOM 585 NZ LYS A 38 -14.035 13.504 2.150 1.00 11.21 N ATOM 0 H LYS A 38 -10.689 9.454 4.133 1.00 1.14 H new ATOM 0 HA LYS A 38 -12.333 10.118 6.421 1.00 21.12 H new ATOM 0 HB2 LYS A 38 -13.096 11.973 4.941 1.00 53.12 H new ATOM 0 HB3 LYS A 38 -11.356 11.912 5.142 1.00 53.12 H new ATOM 0 HG2 LYS A 38 -11.240 10.683 2.906 1.00 21.45 H new ATOM 0 HG3 LYS A 38 -12.947 11.029 2.706 1.00 21.45 H new ATOM 0 HD2 LYS A 38 -10.749 13.116 3.068 1.00 12.12 H new ATOM 0 HD3 LYS A 38 -11.515 12.702 1.547 1.00 12.12 H new ATOM 0 HE2 LYS A 38 -12.993 13.825 3.964 1.00 53.12 H new ATOM 0 HE3 LYS A 38 -12.422 14.792 2.618 1.00 53.12 H new ATOM 0 HZ1 LYS A 38 -14.731 14.256 2.329 1.00 11.21 H new ATOM 0 HZ2 LYS A 38 -13.831 13.456 1.131 1.00 11.21 H new ATOM 0 HZ3 LYS A 38 -14.421 12.593 2.469 1.00 11.21 H new ATOM 599 N GLY A 39 -14.165 8.479 5.869 1.00 70.11 N ATOM 600 CA GLY A 39 -15.448 7.806 5.660 1.00 75.22 C ATOM 601 C GLY A 39 -15.323 6.518 4.850 1.00 30.03 C ATOM 602 O GLY A 39 -14.626 5.589 5.254 1.00 51.42 O ATOM 0 H GLY A 39 -13.707 8.250 6.751 1.00 70.11 H new ATOM 0 HA2 GLY A 39 -15.894 7.578 6.628 1.00 75.22 H new ATOM 0 HA3 GLY A 39 -16.129 8.486 5.148 1.00 75.22 H new ATOM 606 N ALA A 40 -15.997 6.462 3.702 1.00 24.22 N ATOM 607 CA ALA A 40 -15.947 5.285 2.823 1.00 25.13 C ATOM 608 C ALA A 40 -14.629 5.210 2.031 1.00 41.00 C ATOM 609 O ALA A 40 -14.405 4.274 1.261 1.00 31.43 O ATOM 610 CB ALA A 40 -17.135 5.298 1.866 1.00 55.34 C ATOM 0 H ALA A 40 -16.587 7.218 3.355 1.00 24.22 H new ATOM 0 HA ALA A 40 -15.998 4.399 3.456 1.00 25.13 H new ATOM 0 HB1 ALA A 40 -17.090 4.422 1.218 1.00 55.34 H new ATOM 0 HB2 ALA A 40 -18.063 5.279 2.438 1.00 55.34 H new ATOM 0 HB3 ALA A 40 -17.102 6.202 1.257 1.00 55.34 H new ATOM 616 N GLN A 41 -13.758 6.193 2.228 1.00 61.04 N ATOM 617 CA GLN A 41 -12.480 6.255 1.515 1.00 4.44 C ATOM 618 C GLN A 41 -11.448 5.279 2.109 1.00 71.43 C ATOM 619 O GLN A 41 -10.436 5.694 2.673 1.00 62.24 O ATOM 620 CB GLN A 41 -11.937 7.692 1.545 1.00 40.40 C ATOM 621 CG GLN A 41 -12.894 8.719 0.947 1.00 62.44 C ATOM 622 CD GLN A 41 -13.099 8.542 -0.548 1.00 42.13 C ATOM 623 OE1 GLN A 41 -13.950 7.781 -0.986 1.00 45.43 O ATOM 624 NE2 GLN A 41 -12.331 9.263 -1.342 1.00 41.55 N ATOM 0 H GLN A 41 -13.912 6.964 2.878 1.00 61.04 H new ATOM 0 HA GLN A 41 -12.655 5.955 0.482 1.00 4.44 H new ATOM 0 HB2 GLN A 41 -11.720 7.968 2.577 1.00 40.40 H new ATOM 0 HB3 GLN A 41 -10.994 7.726 1.000 1.00 40.40 H new ATOM 0 HG2 GLN A 41 -13.858 8.646 1.451 1.00 62.44 H new ATOM 0 HG3 GLN A 41 -12.509 9.721 1.139 1.00 62.44 H new ATOM 0 HE21 GLN A 41 -11.630 9.888 -0.944 1.00 41.55 H new ATOM 0 HE22 GLN A 41 -12.438 9.195 -2.354 1.00 41.55 H new ATOM 633 N TYR A 42 -11.716 3.980 1.983 1.00 60.40 N ATOM 634 CA TYR A 42 -10.798 2.949 2.487 1.00 60.34 C ATOM 635 C TYR A 42 -9.862 2.449 1.374 1.00 44.22 C ATOM 636 O TYR A 42 -10.084 2.727 0.196 1.00 51.32 O ATOM 637 CB TYR A 42 -11.590 1.765 3.071 1.00 11.43 C ATOM 638 CG TYR A 42 -12.156 0.807 2.032 1.00 55.54 C ATOM 639 CD1 TYR A 42 -13.331 1.092 1.346 1.00 12.24 C ATOM 640 CD2 TYR A 42 -11.509 -0.395 1.746 1.00 53.01 C ATOM 641 CE1 TYR A 42 -13.845 0.213 0.409 1.00 73.04 C ATOM 642 CE2 TYR A 42 -12.014 -1.273 0.809 1.00 63.33 C ATOM 643 CZ TYR A 42 -13.180 -0.967 0.144 1.00 2.53 C ATOM 644 OH TYR A 42 -13.688 -1.853 -0.781 1.00 72.12 O ATOM 0 H TYR A 42 -12.558 3.613 1.538 1.00 60.40 H new ATOM 0 HA TYR A 42 -10.191 3.398 3.273 1.00 60.34 H new ATOM 0 HB2 TYR A 42 -10.940 1.207 3.745 1.00 11.43 H new ATOM 0 HB3 TYR A 42 -12.411 2.155 3.672 1.00 11.43 H new ATOM 0 HD1 TYR A 42 -13.852 2.016 1.548 1.00 12.24 H new ATOM 0 HD2 TYR A 42 -10.596 -0.643 2.267 1.00 53.01 H new ATOM 0 HE1 TYR A 42 -14.761 0.449 -0.112 1.00 73.04 H new ATOM 0 HE2 TYR A 42 -11.496 -2.197 0.598 1.00 63.33 H new ATOM 0 HH TYR A 42 -14.185 -1.360 -1.467 1.00 72.12 H new ATOM 654 N ASN A 43 -8.817 1.717 1.756 1.00 11.21 N ATOM 655 CA ASN A 43 -7.908 1.082 0.789 1.00 73.43 C ATOM 656 C ASN A 43 -7.494 -0.321 1.256 1.00 20.12 C ATOM 657 O ASN A 43 -6.755 -0.463 2.232 1.00 72.24 O ATOM 658 CB ASN A 43 -6.649 1.936 0.572 1.00 70.00 C ATOM 659 CG ASN A 43 -6.942 3.250 -0.124 1.00 51.13 C ATOM 660 OD1 ASN A 43 -7.170 4.271 0.514 1.00 34.43 O ATOM 661 ND2 ASN A 43 -6.958 3.229 -1.441 1.00 1.03 N ATOM 0 H ASN A 43 -8.574 1.545 2.732 1.00 11.21 H new ATOM 0 HA ASN A 43 -8.449 0.997 -0.153 1.00 73.43 H new ATOM 0 HB2 ASN A 43 -6.182 2.137 1.536 1.00 70.00 H new ATOM 0 HB3 ASN A 43 -5.929 1.370 -0.019 1.00 70.00 H new ATOM 0 HD21 ASN A 43 -7.165 4.081 -1.962 1.00 1.03 H new ATOM 0 HD22 ASN A 43 -6.763 2.361 -1.940 1.00 1.03 H new ATOM 668 N LEU A 44 -7.966 -1.357 0.565 1.00 61.33 N ATOM 669 CA LEU A 44 -7.577 -2.733 0.892 1.00 13.30 C ATOM 670 C LEU A 44 -6.262 -3.103 0.189 1.00 33.51 C ATOM 671 O LEU A 44 -6.236 -3.383 -1.013 1.00 3.13 O ATOM 672 CB LEU A 44 -8.692 -3.716 0.496 1.00 3.32 C ATOM 673 CG LEU A 44 -8.388 -5.207 0.747 1.00 43.20 C ATOM 674 CD1 LEU A 44 -8.099 -5.465 2.225 1.00 15.34 C ATOM 675 CD2 LEU A 44 -9.545 -6.079 0.259 1.00 0.34 C ATOM 0 H LEU A 44 -8.613 -1.274 -0.219 1.00 61.33 H new ATOM 0 HA LEU A 44 -7.423 -2.800 1.969 1.00 13.30 H new ATOM 0 HB2 LEU A 44 -9.596 -3.451 1.044 1.00 3.32 H new ATOM 0 HB3 LEU A 44 -8.910 -3.582 -0.563 1.00 3.32 H new ATOM 0 HG LEU A 44 -7.495 -5.473 0.181 1.00 43.20 H new ATOM 0 HD11 LEU A 44 -7.888 -6.524 2.375 1.00 15.34 H new ATOM 0 HD12 LEU A 44 -7.236 -4.875 2.535 1.00 15.34 H new ATOM 0 HD13 LEU A 44 -8.966 -5.180 2.820 1.00 15.34 H new ATOM 0 HD21 LEU A 44 -9.313 -7.128 0.444 1.00 0.34 H new ATOM 0 HD22 LEU A 44 -10.455 -5.809 0.794 1.00 0.34 H new ATOM 0 HD23 LEU A 44 -9.693 -5.923 -0.810 1.00 0.34 H new ATOM 687 N MET A 45 -5.171 -3.096 0.951 1.00 70.54 N ATOM 688 CA MET A 45 -3.845 -3.425 0.423 1.00 43.25 C ATOM 689 C MET A 45 -3.497 -4.891 0.704 1.00 71.40 C ATOM 690 O MET A 45 -3.807 -5.416 1.774 1.00 25.10 O ATOM 691 CB MET A 45 -2.787 -2.512 1.051 1.00 22.12 C ATOM 692 CG MET A 45 -3.013 -1.028 0.791 1.00 65.22 C ATOM 693 SD MET A 45 -2.878 -0.603 -0.958 1.00 40.22 S ATOM 694 CE MET A 45 -1.154 -0.981 -1.276 1.00 20.03 C ATOM 0 H MET A 45 -5.178 -2.864 1.944 1.00 70.54 H new ATOM 0 HA MET A 45 -3.859 -3.271 -0.656 1.00 43.25 H new ATOM 0 HB2 MET A 45 -2.768 -2.683 2.127 1.00 22.12 H new ATOM 0 HB3 MET A 45 -1.806 -2.792 0.666 1.00 22.12 H new ATOM 0 HG2 MET A 45 -4.001 -0.745 1.155 1.00 65.22 H new ATOM 0 HG3 MET A 45 -2.286 -0.448 1.359 1.00 65.22 H new ATOM 0 HE1 MET A 45 -0.752 -0.269 -1.997 1.00 20.03 H new ATOM 0 HE2 MET A 45 -0.589 -0.914 -0.346 1.00 20.03 H new ATOM 0 HE3 MET A 45 -1.071 -1.991 -1.679 1.00 20.03 H new ATOM 704 N GLU A 46 -2.847 -5.545 -0.253 1.00 41.22 N ATOM 705 CA GLU A 46 -2.536 -6.973 -0.126 1.00 54.03 C ATOM 706 C GLU A 46 -1.084 -7.293 -0.518 1.00 0.02 C ATOM 707 O GLU A 46 -0.635 -6.960 -1.619 1.00 22.24 O ATOM 708 CB GLU A 46 -3.507 -7.786 -0.989 1.00 63.12 C ATOM 709 CG GLU A 46 -3.289 -9.294 -0.920 1.00 41.22 C ATOM 710 CD GLU A 46 -4.310 -10.060 -1.745 1.00 10.44 C ATOM 711 OE1 GLU A 46 -5.488 -10.098 -1.343 1.00 30.03 O ATOM 712 OE2 GLU A 46 -3.944 -10.618 -2.797 1.00 14.32 O ATOM 0 H GLU A 46 -2.525 -5.117 -1.121 1.00 41.22 H new ATOM 0 HA GLU A 46 -2.650 -7.245 0.923 1.00 54.03 H new ATOM 0 HB2 GLU A 46 -4.527 -7.563 -0.677 1.00 63.12 H new ATOM 0 HB3 GLU A 46 -3.412 -7.463 -2.026 1.00 63.12 H new ATOM 0 HG2 GLU A 46 -2.286 -9.531 -1.275 1.00 41.22 H new ATOM 0 HG3 GLU A 46 -3.345 -9.620 0.118 1.00 41.22 H new ATOM 719 N VAL A 47 -0.364 -7.937 0.400 1.00 14.33 N ATOM 720 CA VAL A 47 1.001 -8.413 0.155 1.00 21.44 C ATOM 721 C VAL A 47 1.002 -9.919 -0.159 1.00 13.13 C ATOM 722 O VAL A 47 0.733 -10.746 0.715 1.00 1.13 O ATOM 723 CB VAL A 47 1.916 -8.162 1.381 1.00 10.14 C ATOM 724 CG1 VAL A 47 3.357 -8.575 1.082 1.00 44.50 C ATOM 725 CG2 VAL A 47 1.848 -6.702 1.825 1.00 1.32 C ATOM 0 H VAL A 47 -0.710 -8.145 1.337 1.00 14.33 H new ATOM 0 HA VAL A 47 1.386 -7.855 -0.699 1.00 21.44 H new ATOM 0 HB VAL A 47 1.553 -8.780 2.202 1.00 10.14 H new ATOM 0 HG11 VAL A 47 3.978 -8.389 1.958 1.00 44.50 H new ATOM 0 HG12 VAL A 47 3.387 -9.636 0.835 1.00 44.50 H new ATOM 0 HG13 VAL A 47 3.734 -7.995 0.240 1.00 44.50 H new ATOM 0 HG21 VAL A 47 2.499 -6.553 2.687 1.00 1.32 H new ATOM 0 HG22 VAL A 47 2.174 -6.058 1.008 1.00 1.32 H new ATOM 0 HG23 VAL A 47 0.823 -6.452 2.097 1.00 1.32 H new ATOM 735 N ASP A 48 1.325 -10.270 -1.395 1.00 13.12 N ATOM 736 CA ASP A 48 1.337 -11.669 -1.833 1.00 50.40 C ATOM 737 C ASP A 48 2.784 -12.148 -2.025 1.00 64.22 C ATOM 738 O ASP A 48 3.455 -11.772 -2.982 1.00 4.13 O ATOM 739 CB ASP A 48 0.541 -11.803 -3.135 1.00 53.21 C ATOM 740 CG ASP A 48 0.324 -13.244 -3.555 1.00 11.35 C ATOM 741 OD1 ASP A 48 -0.449 -13.951 -2.870 1.00 41.34 O ATOM 742 OD2 ASP A 48 0.901 -13.670 -4.580 1.00 14.42 O ATOM 0 H ASP A 48 1.585 -9.603 -2.122 1.00 13.12 H new ATOM 0 HA ASP A 48 0.871 -12.294 -1.072 1.00 50.40 H new ATOM 0 HB2 ASP A 48 -0.427 -11.317 -3.014 1.00 53.21 H new ATOM 0 HB3 ASP A 48 1.066 -11.274 -3.931 1.00 53.21 H new ATOM 747 N GLY A 49 3.266 -12.964 -1.098 1.00 51.12 N ATOM 748 CA GLY A 49 4.675 -13.324 -1.087 1.00 24.52 C ATOM 749 C GLY A 49 5.568 -12.123 -0.774 1.00 73.04 C ATOM 750 O GLY A 49 5.617 -11.663 0.366 1.00 44.23 O ATOM 0 H GLY A 49 2.710 -13.384 -0.353 1.00 51.12 H new ATOM 0 HA2 GLY A 49 4.844 -14.105 -0.346 1.00 24.52 H new ATOM 0 HA3 GLY A 49 4.951 -13.739 -2.056 1.00 24.52 H new ATOM 754 N GLU A 50 6.232 -11.581 -1.796 1.00 11.25 N ATOM 755 CA GLU A 50 7.139 -10.435 -1.615 1.00 62.24 C ATOM 756 C GLU A 50 6.742 -9.251 -2.525 1.00 71.44 C ATOM 757 O GLU A 50 7.577 -8.424 -2.895 1.00 11.31 O ATOM 758 CB GLU A 50 8.587 -10.882 -1.889 1.00 32.40 C ATOM 759 CG GLU A 50 9.006 -12.103 -1.065 1.00 2.42 C ATOM 760 CD GLU A 50 10.449 -12.533 -1.295 1.00 73.22 C ATOM 761 OE1 GLU A 50 10.840 -12.750 -2.460 1.00 40.44 O ATOM 762 OE2 GLU A 50 11.199 -12.680 -0.303 1.00 3.22 O ATOM 0 H GLU A 50 6.162 -11.913 -2.758 1.00 11.25 H new ATOM 0 HA GLU A 50 7.061 -10.085 -0.586 1.00 62.24 H new ATOM 0 HB2 GLU A 50 8.695 -11.112 -2.949 1.00 32.40 H new ATOM 0 HB3 GLU A 50 9.263 -10.055 -1.672 1.00 32.40 H new ATOM 0 HG2 GLU A 50 8.867 -11.881 -0.007 1.00 2.42 H new ATOM 0 HG3 GLU A 50 8.346 -12.936 -1.305 1.00 2.42 H new ATOM 769 N ARG A 51 5.449 -9.167 -2.857 1.00 72.21 N ATOM 770 CA ARG A 51 4.905 -8.091 -3.709 1.00 12.14 C ATOM 771 C ARG A 51 3.602 -7.525 -3.111 1.00 53.12 C ATOM 772 O ARG A 51 2.894 -8.227 -2.386 1.00 2.21 O ATOM 773 CB ARG A 51 4.641 -8.636 -5.122 1.00 43.34 C ATOM 774 CG ARG A 51 3.702 -9.835 -5.125 1.00 54.23 C ATOM 775 CD ARG A 51 3.574 -10.487 -6.493 1.00 3.14 C ATOM 776 NE ARG A 51 2.779 -11.714 -6.418 1.00 25.00 N ATOM 777 CZ ARG A 51 2.681 -12.595 -7.373 1.00 45.23 C ATOM 778 NH1 ARG A 51 3.292 -12.425 -8.506 1.00 42.25 N ATOM 779 NH2 ARG A 51 1.971 -13.658 -7.183 1.00 45.11 N ATOM 0 H ARG A 51 4.747 -9.839 -2.546 1.00 72.21 H new ATOM 0 HA ARG A 51 5.636 -7.284 -3.761 1.00 12.14 H new ATOM 0 HB2 ARG A 51 4.214 -7.844 -5.738 1.00 43.34 H new ATOM 0 HB3 ARG A 51 5.588 -8.921 -5.580 1.00 43.34 H new ATOM 0 HG2 ARG A 51 4.063 -10.574 -4.409 1.00 54.23 H new ATOM 0 HG3 ARG A 51 2.716 -9.518 -4.786 1.00 54.23 H new ATOM 0 HD2 ARG A 51 3.108 -9.790 -7.190 1.00 3.14 H new ATOM 0 HD3 ARG A 51 4.565 -10.715 -6.885 1.00 3.14 H new ATOM 0 HE ARG A 51 2.264 -11.892 -5.556 1.00 25.00 H new ATOM 0 HH11 ARG A 51 3.860 -11.592 -8.659 1.00 42.25 H new ATOM 0 HH12 ARG A 51 3.204 -13.125 -9.243 1.00 42.25 H new ATOM 0 HH21 ARG A 51 1.494 -13.801 -6.293 1.00 45.11 H new ATOM 0 HH22 ARG A 51 1.887 -14.354 -7.924 1.00 45.11 H new ATOM 793 N ILE A 52 3.269 -6.269 -3.424 1.00 51.22 N ATOM 794 CA ILE A 52 2.066 -5.632 -2.861 1.00 71.11 C ATOM 795 C ILE A 52 1.339 -4.721 -3.873 1.00 45.31 C ATOM 796 O ILE A 52 1.966 -4.062 -4.703 1.00 55.50 O ATOM 797 CB ILE A 52 2.423 -4.799 -1.598 1.00 24.31 C ATOM 798 CG1 ILE A 52 1.158 -4.183 -0.969 1.00 51.42 C ATOM 799 CG2 ILE A 52 3.441 -3.710 -1.944 1.00 52.32 C ATOM 800 CD1 ILE A 52 1.419 -3.378 0.289 1.00 34.44 C ATOM 0 H ILE A 52 3.806 -5.676 -4.056 1.00 51.22 H new ATOM 0 HA ILE A 52 1.391 -6.446 -2.597 1.00 71.11 H new ATOM 0 HB ILE A 52 2.871 -5.469 -0.864 1.00 24.31 H new ATOM 0 HG12 ILE A 52 0.676 -3.540 -1.705 1.00 51.42 H new ATOM 0 HG13 ILE A 52 0.455 -4.983 -0.736 1.00 51.42 H new ATOM 0 HG21 ILE A 52 3.679 -3.137 -1.048 1.00 52.32 H new ATOM 0 HG22 ILE A 52 4.349 -4.171 -2.332 1.00 52.32 H new ATOM 0 HG23 ILE A 52 3.021 -3.045 -2.699 1.00 52.32 H new ATOM 0 HD11 ILE A 52 0.478 -2.980 0.668 1.00 34.44 H new ATOM 0 HD12 ILE A 52 1.871 -4.020 1.045 1.00 34.44 H new ATOM 0 HD13 ILE A 52 2.096 -2.555 0.060 1.00 34.44 H new ATOM 812 N ARG A 53 0.003 -4.718 -3.810 1.00 13.40 N ATOM 813 CA ARG A 53 -0.816 -3.739 -4.543 1.00 70.11 C ATOM 814 C ARG A 53 -2.235 -3.634 -3.966 1.00 44.43 C ATOM 815 O ARG A 53 -2.649 -4.462 -3.146 1.00 60.41 O ATOM 816 CB ARG A 53 -0.857 -4.046 -6.055 1.00 54.00 C ATOM 817 CG ARG A 53 -1.301 -5.462 -6.446 1.00 54.25 C ATOM 818 CD ARG A 53 -2.818 -5.663 -6.406 1.00 65.22 C ATOM 819 NE ARG A 53 -3.254 -6.349 -5.187 1.00 51.04 N ATOM 820 CZ ARG A 53 -4.046 -7.389 -5.177 1.00 2.22 C ATOM 821 NH1 ARG A 53 -4.529 -7.864 -6.278 1.00 22.31 N ATOM 822 NH2 ARG A 53 -4.352 -7.961 -4.064 1.00 11.12 N ATOM 0 H ARG A 53 -0.538 -5.384 -3.258 1.00 13.40 H new ATOM 0 HA ARG A 53 -0.335 -2.769 -4.414 1.00 70.11 H new ATOM 0 HB2 ARG A 53 -1.529 -3.332 -6.532 1.00 54.00 H new ATOM 0 HB3 ARG A 53 0.137 -3.872 -6.467 1.00 54.00 H new ATOM 0 HG2 ARG A 53 -0.940 -5.682 -7.451 1.00 54.25 H new ATOM 0 HG3 ARG A 53 -0.830 -6.180 -5.774 1.00 54.25 H new ATOM 0 HD2 ARG A 53 -3.313 -4.694 -6.472 1.00 65.22 H new ATOM 0 HD3 ARG A 53 -3.129 -6.240 -7.277 1.00 65.22 H new ATOM 0 HE ARG A 53 -2.919 -5.993 -4.292 1.00 51.04 H new ATOM 0 HH11 ARG A 53 -4.293 -7.427 -7.169 1.00 22.31 H new ATOM 0 HH12 ARG A 53 -5.146 -8.676 -6.256 1.00 22.31 H new ATOM 0 HH21 ARG A 53 -3.976 -7.603 -3.186 1.00 11.12 H new ATOM 0 HH22 ARG A 53 -4.970 -8.772 -4.061 1.00 11.12 H new ATOM 836 N ILE A 54 -2.978 -2.615 -4.401 1.00 60.11 N ATOM 837 CA ILE A 54 -4.370 -2.424 -3.972 1.00 11.42 C ATOM 838 C ILE A 54 -5.282 -3.516 -4.547 1.00 4.03 C ATOM 839 O ILE A 54 -5.372 -3.685 -5.763 1.00 62.20 O ATOM 840 CB ILE A 54 -4.922 -1.039 -4.408 1.00 41.20 C ATOM 841 CG1 ILE A 54 -4.032 0.094 -3.873 1.00 1.14 C ATOM 842 CG2 ILE A 54 -6.366 -0.858 -3.933 1.00 45.14 C ATOM 843 CD1 ILE A 54 -4.461 1.477 -4.320 1.00 21.41 C ATOM 0 H ILE A 54 -2.640 -1.906 -5.052 1.00 60.11 H new ATOM 0 HA ILE A 54 -4.368 -2.481 -2.884 1.00 11.42 H new ATOM 0 HB ILE A 54 -4.912 -0.997 -5.497 1.00 41.20 H new ATOM 0 HG12 ILE A 54 -4.032 0.059 -2.784 1.00 1.14 H new ATOM 0 HG13 ILE A 54 -3.006 -0.080 -4.197 1.00 1.14 H new ATOM 0 HG21 ILE A 54 -6.733 0.118 -4.249 1.00 45.14 H new ATOM 0 HG22 ILE A 54 -6.992 -1.638 -4.366 1.00 45.14 H new ATOM 0 HG23 ILE A 54 -6.402 -0.925 -2.846 1.00 45.14 H new ATOM 0 HD11 ILE A 54 -3.784 2.221 -3.901 1.00 21.41 H new ATOM 0 HD12 ILE A 54 -4.433 1.533 -5.408 1.00 21.41 H new ATOM 0 HD13 ILE A 54 -5.475 1.673 -3.973 1.00 21.41 H new ATOM 855 N LYS A 55 -5.947 -4.259 -3.670 1.00 11.13 N ATOM 856 CA LYS A 55 -6.867 -5.319 -4.098 1.00 24.34 C ATOM 857 C LYS A 55 -8.241 -4.741 -4.463 1.00 24.34 C ATOM 858 O LYS A 55 -8.854 -5.133 -5.461 1.00 32.42 O ATOM 859 CB LYS A 55 -7.028 -6.364 -2.987 1.00 35.52 C ATOM 860 CG LYS A 55 -7.783 -7.621 -3.425 1.00 21.45 C ATOM 861 CD LYS A 55 -8.083 -8.542 -2.246 1.00 44.11 C ATOM 862 CE LYS A 55 -8.589 -9.909 -2.699 1.00 45.33 C ATOM 863 NZ LYS A 55 -9.801 -9.808 -3.557 1.00 13.54 N ATOM 0 H LYS A 55 -5.870 -4.151 -2.659 1.00 11.13 H new ATOM 0 HA LYS A 55 -6.443 -5.794 -4.983 1.00 24.34 H new ATOM 0 HB2 LYS A 55 -6.041 -6.652 -2.626 1.00 35.52 H new ATOM 0 HB3 LYS A 55 -7.554 -5.910 -2.147 1.00 35.52 H new ATOM 0 HG2 LYS A 55 -8.717 -7.334 -3.909 1.00 21.45 H new ATOM 0 HG3 LYS A 55 -7.193 -8.160 -4.166 1.00 21.45 H new ATOM 0 HD2 LYS A 55 -7.181 -8.670 -1.648 1.00 44.11 H new ATOM 0 HD3 LYS A 55 -8.829 -8.075 -1.602 1.00 44.11 H new ATOM 0 HE2 LYS A 55 -7.800 -10.422 -3.248 1.00 45.33 H new ATOM 0 HE3 LYS A 55 -8.816 -10.518 -1.824 1.00 45.33 H new ATOM 0 HZ1 LYS A 55 -10.186 -10.759 -3.728 1.00 13.54 H new ATOM 0 HZ2 LYS A 55 -10.517 -9.225 -3.079 1.00 13.54 H new ATOM 0 HZ3 LYS A 55 -9.548 -9.369 -4.465 1.00 13.54 H new ATOM 877 N GLU A 56 -8.710 -3.808 -3.640 1.00 54.32 N ATOM 878 CA GLU A 56 -10.038 -3.208 -3.799 1.00 61.40 C ATOM 879 C GLU A 56 -10.170 -1.944 -2.934 1.00 62.23 C ATOM 880 O GLU A 56 -9.719 -1.921 -1.785 1.00 43.02 O ATOM 881 CB GLU A 56 -11.112 -4.232 -3.394 1.00 13.44 C ATOM 882 CG GLU A 56 -12.546 -3.721 -3.487 1.00 34.24 C ATOM 883 CD GLU A 56 -12.924 -3.279 -4.891 1.00 23.12 C ATOM 884 OE1 GLU A 56 -13.117 -4.153 -5.765 1.00 12.15 O ATOM 885 OE2 GLU A 56 -13.031 -2.057 -5.127 1.00 51.44 O ATOM 0 H GLU A 56 -8.185 -3.445 -2.845 1.00 54.32 H new ATOM 0 HA GLU A 56 -10.174 -2.926 -4.843 1.00 61.40 H new ATOM 0 HB2 GLU A 56 -11.013 -5.113 -4.028 1.00 13.44 H new ATOM 0 HB3 GLU A 56 -10.921 -4.553 -2.370 1.00 13.44 H new ATOM 0 HG2 GLU A 56 -13.228 -4.506 -3.162 1.00 34.24 H new ATOM 0 HG3 GLU A 56 -12.674 -2.884 -2.801 1.00 34.24 H new ATOM 892 N ASP A 57 -10.790 -0.896 -3.477 1.00 74.20 N ATOM 893 CA ASP A 57 -11.000 0.340 -2.719 1.00 34.42 C ATOM 894 C ASP A 57 -11.954 1.298 -3.456 1.00 63.34 C ATOM 895 O ASP A 57 -12.269 1.107 -4.631 1.00 75.51 O ATOM 896 CB ASP A 57 -9.657 1.032 -2.432 1.00 20.11 C ATOM 897 CG ASP A 57 -9.149 1.866 -3.596 1.00 64.14 C ATOM 898 OD1 ASP A 57 -8.945 1.313 -4.693 1.00 21.22 O ATOM 899 OD2 ASP A 57 -8.957 3.084 -3.406 1.00 45.44 O ATOM 0 H ASP A 57 -11.153 -0.876 -4.430 1.00 74.20 H new ATOM 0 HA ASP A 57 -11.465 0.072 -1.770 1.00 34.42 H new ATOM 0 HB2 ASP A 57 -9.766 1.672 -1.556 1.00 20.11 H new ATOM 0 HB3 ASP A 57 -8.912 0.276 -2.184 1.00 20.11 H new ATOM 904 N ASN A 58 -12.395 2.342 -2.757 1.00 22.24 N ATOM 905 CA ASN A 58 -13.347 3.313 -3.318 1.00 30.02 C ATOM 906 C ASN A 58 -12.637 4.566 -3.868 1.00 42.15 C ATOM 907 O ASN A 58 -13.050 5.694 -3.600 1.00 40.33 O ATOM 908 CB ASN A 58 -14.372 3.716 -2.250 1.00 33.33 C ATOM 909 CG ASN A 58 -15.250 2.558 -1.818 1.00 55.34 C ATOM 910 OD1 ASN A 58 -15.513 1.633 -2.581 1.00 43.44 O ATOM 911 ND2 ASN A 58 -15.713 2.601 -0.587 1.00 63.12 N ATOM 0 H ASN A 58 -12.110 2.542 -1.798 1.00 22.24 H new ATOM 0 HA ASN A 58 -13.856 2.832 -4.153 1.00 30.02 H new ATOM 0 HB2 ASN A 58 -13.848 4.114 -1.381 1.00 33.33 H new ATOM 0 HB3 ASN A 58 -15.000 4.518 -2.639 1.00 33.33 H new ATOM 0 HD21 ASN A 58 -16.310 1.850 -0.240 1.00 63.12 H new ATOM 0 HD22 ASN A 58 -15.475 3.385 0.020 1.00 63.12 H new ATOM 918 N SER A 59 -11.552 4.371 -4.613 1.00 63.54 N ATOM 919 CA SER A 59 -10.887 5.488 -5.307 1.00 12.35 C ATOM 920 C SER A 59 -11.331 5.558 -6.767 1.00 23.44 C ATOM 921 O SER A 59 -11.157 4.598 -7.517 1.00 41.23 O ATOM 922 CB SER A 59 -9.361 5.360 -5.253 1.00 33.12 C ATOM 923 OG SER A 59 -8.720 6.408 -5.968 1.00 53.11 O ATOM 0 H SER A 59 -11.112 3.462 -4.756 1.00 63.54 H new ATOM 0 HA SER A 59 -11.179 6.402 -4.790 1.00 12.35 H new ATOM 0 HB2 SER A 59 -9.031 5.373 -4.214 1.00 33.12 H new ATOM 0 HB3 SER A 59 -9.061 4.399 -5.670 1.00 33.12 H new ATOM 0 HG SER A 59 -7.748 6.296 -5.911 1.00 53.11 H new ATOM 929 N PRO A 60 -11.881 6.706 -7.202 1.00 43.12 N ATOM 930 CA PRO A 60 -12.380 6.873 -8.577 1.00 43.12 C ATOM 931 C PRO A 60 -11.276 6.680 -9.623 1.00 25.41 C ATOM 932 O PRO A 60 -11.539 6.284 -10.759 1.00 12.23 O ATOM 933 CB PRO A 60 -12.914 8.316 -8.597 1.00 74.20 C ATOM 934 CG PRO A 60 -12.248 8.995 -7.445 1.00 75.22 C ATOM 935 CD PRO A 60 -12.044 7.932 -6.400 1.00 72.41 C ATOM 0 HA PRO A 60 -13.137 6.131 -8.831 1.00 43.12 H new ATOM 0 HB2 PRO A 60 -12.675 8.811 -9.538 1.00 74.20 H new ATOM 0 HB3 PRO A 60 -13.999 8.336 -8.493 1.00 74.20 H new ATOM 0 HG2 PRO A 60 -11.297 9.433 -7.747 1.00 75.22 H new ATOM 0 HG3 PRO A 60 -12.865 9.807 -7.061 1.00 75.22 H new ATOM 0 HD2 PRO A 60 -11.166 8.133 -5.786 1.00 72.41 H new ATOM 0 HD3 PRO A 60 -12.896 7.862 -5.724 1.00 72.41 H new ATOM 943 N ASP A 61 -10.039 6.958 -9.223 1.00 64.41 N ATOM 944 CA ASP A 61 -8.881 6.787 -10.096 1.00 55.21 C ATOM 945 C ASP A 61 -8.458 5.305 -10.196 1.00 51.34 C ATOM 946 O ASP A 61 -8.003 4.854 -11.251 1.00 42.30 O ATOM 947 CB ASP A 61 -7.723 7.638 -9.573 1.00 50.31 C ATOM 948 CG ASP A 61 -8.103 9.104 -9.448 1.00 1.33 C ATOM 949 OD1 ASP A 61 -8.623 9.505 -8.387 1.00 31.14 O ATOM 950 OD2 ASP A 61 -7.908 9.862 -10.423 1.00 30.40 O ATOM 0 H ASP A 61 -9.811 7.306 -8.292 1.00 64.41 H new ATOM 0 HA ASP A 61 -9.154 7.115 -11.099 1.00 55.21 H new ATOM 0 HB2 ASP A 61 -7.407 7.261 -8.600 1.00 50.31 H new ATOM 0 HB3 ASP A 61 -6.870 7.541 -10.245 1.00 50.31 H new ATOM 955 N GLN A 62 -8.620 4.556 -9.093 1.00 40.53 N ATOM 956 CA GLN A 62 -8.221 3.133 -9.037 1.00 32.43 C ATOM 957 C GLN A 62 -6.742 2.932 -9.432 1.00 0.22 C ATOM 958 O GLN A 62 -6.381 1.913 -10.026 1.00 13.43 O ATOM 959 CB GLN A 62 -9.134 2.284 -9.946 1.00 33.31 C ATOM 960 CG GLN A 62 -10.544 2.080 -9.398 1.00 43.13 C ATOM 961 CD GLN A 62 -10.561 1.237 -8.131 1.00 1.32 C ATOM 962 OE1 GLN A 62 -10.664 0.017 -8.183 1.00 4.21 O ATOM 963 NE2 GLN A 62 -10.463 1.883 -6.987 1.00 52.14 N ATOM 0 H GLN A 62 -9.024 4.909 -8.226 1.00 40.53 H new ATOM 0 HA GLN A 62 -8.334 2.803 -8.004 1.00 32.43 H new ATOM 0 HB2 GLN A 62 -9.201 2.762 -10.923 1.00 33.31 H new ATOM 0 HB3 GLN A 62 -8.671 1.309 -10.099 1.00 33.31 H new ATOM 0 HG2 GLN A 62 -10.994 3.051 -9.190 1.00 43.13 H new ATOM 0 HG3 GLN A 62 -11.160 1.600 -10.158 1.00 43.13 H new ATOM 0 HE21 GLN A 62 -10.379 2.899 -6.981 1.00 52.14 H new ATOM 0 HE22 GLN A 62 -10.471 1.367 -6.107 1.00 52.14 H new ATOM 972 N VAL A 63 -5.887 3.885 -9.049 1.00 44.42 N ATOM 973 CA VAL A 63 -4.473 3.887 -9.459 1.00 41.11 C ATOM 974 C VAL A 63 -3.757 2.561 -9.135 1.00 42.45 C ATOM 975 O VAL A 63 -3.166 1.945 -10.017 1.00 22.33 O ATOM 976 CB VAL A 63 -3.701 5.056 -8.794 1.00 71.42 C ATOM 977 CG1 VAL A 63 -2.232 5.053 -9.217 1.00 52.10 C ATOM 978 CG2 VAL A 63 -4.360 6.395 -9.128 1.00 63.42 C ATOM 0 H VAL A 63 -6.148 4.670 -8.453 1.00 44.42 H new ATOM 0 HA VAL A 63 -4.475 4.014 -10.542 1.00 41.11 H new ATOM 0 HB VAL A 63 -3.739 4.916 -7.714 1.00 71.42 H new ATOM 0 HG11 VAL A 63 -1.713 5.883 -8.737 1.00 52.10 H new ATOM 0 HG12 VAL A 63 -1.769 4.113 -8.917 1.00 52.10 H new ATOM 0 HG13 VAL A 63 -2.165 5.161 -10.300 1.00 52.10 H new ATOM 0 HG21 VAL A 63 -3.804 7.203 -8.652 1.00 63.42 H new ATOM 0 HG22 VAL A 63 -4.360 6.541 -10.208 1.00 63.42 H new ATOM 0 HG23 VAL A 63 -5.387 6.397 -8.762 1.00 63.42 H new ATOM 988 N GLY A 64 -3.840 2.112 -7.883 1.00 43.21 N ATOM 989 CA GLY A 64 -3.137 0.891 -7.478 1.00 31.05 C ATOM 990 C GLY A 64 -3.637 -0.365 -8.188 1.00 52.33 C ATOM 991 O GLY A 64 -2.841 -1.221 -8.578 1.00 4.33 O ATOM 0 H GLY A 64 -4.376 2.564 -7.142 1.00 43.21 H new ATOM 0 HA2 GLY A 64 -2.072 1.012 -7.677 1.00 31.05 H new ATOM 0 HA3 GLY A 64 -3.247 0.758 -6.402 1.00 31.05 H new ATOM 995 N VAL A 65 -4.954 -0.476 -8.354 1.00 14.22 N ATOM 996 CA VAL A 65 -5.546 -1.604 -9.080 1.00 1.32 C ATOM 997 C VAL A 65 -5.041 -1.638 -10.532 1.00 10.43 C ATOM 998 O VAL A 65 -4.751 -2.700 -11.083 1.00 53.34 O ATOM 999 CB VAL A 65 -7.098 -1.532 -9.063 1.00 22.14 C ATOM 1000 CG1 VAL A 65 -7.713 -2.739 -9.772 1.00 2.34 C ATOM 1001 CG2 VAL A 65 -7.613 -1.423 -7.625 1.00 41.34 C ATOM 0 H VAL A 65 -5.632 0.198 -7.998 1.00 14.22 H new ATOM 0 HA VAL A 65 -5.238 -2.519 -8.575 1.00 1.32 H new ATOM 0 HB VAL A 65 -7.403 -0.637 -9.606 1.00 22.14 H new ATOM 0 HG11 VAL A 65 -8.800 -2.662 -9.745 1.00 2.34 H new ATOM 0 HG12 VAL A 65 -7.377 -2.762 -10.809 1.00 2.34 H new ATOM 0 HG13 VAL A 65 -7.401 -3.654 -9.269 1.00 2.34 H new ATOM 0 HG21 VAL A 65 -8.702 -1.374 -7.631 1.00 41.34 H new ATOM 0 HG22 VAL A 65 -7.293 -2.296 -7.057 1.00 41.34 H new ATOM 0 HG23 VAL A 65 -7.212 -0.522 -7.162 1.00 41.34 H new ATOM 1011 N LYS A 66 -4.921 -0.455 -11.136 1.00 61.04 N ATOM 1012 CA LYS A 66 -4.376 -0.321 -12.494 1.00 61.55 C ATOM 1013 C LYS A 66 -2.843 -0.485 -12.518 1.00 14.22 C ATOM 1014 O LYS A 66 -2.272 -0.909 -13.522 1.00 43.32 O ATOM 1015 CB LYS A 66 -4.785 1.032 -13.088 1.00 74.23 C ATOM 1016 CG LYS A 66 -6.299 1.205 -13.187 1.00 11.05 C ATOM 1017 CD LYS A 66 -6.696 2.600 -13.657 1.00 64.44 C ATOM 1018 CE LYS A 66 -8.212 2.749 -13.730 1.00 53.41 C ATOM 1019 NZ LYS A 66 -8.620 4.144 -14.028 1.00 3.30 N ATOM 0 H LYS A 66 -5.194 0.429 -10.707 1.00 61.04 H new ATOM 0 HA LYS A 66 -4.793 -1.122 -13.104 1.00 61.55 H new ATOM 0 HB2 LYS A 66 -4.372 1.832 -12.474 1.00 74.23 H new ATOM 0 HB3 LYS A 66 -4.347 1.134 -14.081 1.00 74.23 H new ATOM 0 HG2 LYS A 66 -6.702 0.464 -13.877 1.00 11.05 H new ATOM 0 HG3 LYS A 66 -6.748 1.011 -12.213 1.00 11.05 H new ATOM 0 HD2 LYS A 66 -6.287 3.346 -12.975 1.00 64.44 H new ATOM 0 HD3 LYS A 66 -6.262 2.793 -14.638 1.00 64.44 H new ATOM 0 HE2 LYS A 66 -8.605 2.084 -14.499 1.00 53.41 H new ATOM 0 HE3 LYS A 66 -8.653 2.437 -12.783 1.00 53.41 H new ATOM 0 HZ1 LYS A 66 -9.614 4.157 -14.334 1.00 3.30 H new ATOM 0 HZ2 LYS A 66 -8.514 4.727 -13.173 1.00 3.30 H new ATOM 0 HZ3 LYS A 66 -8.019 4.527 -14.785 1.00 3.30 H new ATOM 1033 N MET A 67 -2.189 -0.141 -11.409 1.00 31.12 N ATOM 1034 CA MET A 67 -0.732 -0.292 -11.277 1.00 3.10 C ATOM 1035 C MET A 67 -0.305 -1.771 -11.263 1.00 23.15 C ATOM 1036 O MET A 67 0.733 -2.132 -11.822 1.00 1.31 O ATOM 1037 CB MET A 67 -0.237 0.418 -10.004 1.00 53.23 C ATOM 1038 CG MET A 67 -0.116 1.929 -10.154 1.00 75.42 C ATOM 1039 SD MET A 67 1.049 2.407 -11.448 1.00 2.44 S ATOM 1040 CE MET A 67 0.952 4.195 -11.351 1.00 20.01 C ATOM 0 H MET A 67 -2.644 0.247 -10.582 1.00 31.12 H new ATOM 0 HA MET A 67 -0.274 0.172 -12.150 1.00 3.10 H new ATOM 0 HB2 MET A 67 -0.922 0.197 -9.185 1.00 53.23 H new ATOM 0 HB3 MET A 67 0.735 0.010 -9.726 1.00 53.23 H new ATOM 0 HG2 MET A 67 -1.097 2.348 -10.380 1.00 75.42 H new ATOM 0 HG3 MET A 67 0.203 2.360 -9.205 1.00 75.42 H new ATOM 0 HE1 MET A 67 1.618 4.636 -12.092 1.00 20.01 H new ATOM 0 HE2 MET A 67 -0.071 4.515 -11.547 1.00 20.01 H new ATOM 0 HE3 MET A 67 1.250 4.522 -10.355 1.00 20.01 H new ATOM 1050 N GLY A 68 -1.109 -2.619 -10.625 1.00 0.01 N ATOM 1051 CA GLY A 68 -0.798 -4.046 -10.559 1.00 23.40 C ATOM 1052 C GLY A 68 0.226 -4.391 -9.475 1.00 3.31 C ATOM 1053 O GLY A 68 0.620 -3.529 -8.690 1.00 13.31 O ATOM 0 H GLY A 68 -1.971 -2.348 -10.151 1.00 0.01 H new ATOM 0 HA2 GLY A 68 -1.716 -4.603 -10.373 1.00 23.40 H new ATOM 0 HA3 GLY A 68 -0.417 -4.373 -11.527 1.00 23.40 H new ATOM 1057 N TRP A 69 0.651 -5.657 -9.426 1.00 1.22 N ATOM 1058 CA TRP A 69 1.612 -6.118 -8.407 1.00 61.10 C ATOM 1059 C TRP A 69 2.940 -5.353 -8.481 1.00 10.13 C ATOM 1060 O TRP A 69 3.627 -5.375 -9.502 1.00 41.53 O ATOM 1061 CB TRP A 69 1.878 -7.626 -8.547 1.00 52.32 C ATOM 1062 CG TRP A 69 0.698 -8.486 -8.187 1.00 73.44 C ATOM 1063 CD1 TRP A 69 -0.072 -9.227 -9.035 1.00 3.13 C ATOM 1064 CD2 TRP A 69 0.157 -8.690 -6.875 1.00 50.42 C ATOM 1065 NE1 TRP A 69 -1.053 -9.878 -8.332 1.00 61.12 N ATOM 1066 CE2 TRP A 69 -0.936 -9.565 -7.007 1.00 21.24 C ATOM 1067 CE3 TRP A 69 0.491 -8.219 -5.601 1.00 62.04 C ATOM 1068 CZ2 TRP A 69 -1.697 -9.977 -5.917 1.00 32.13 C ATOM 1069 CZ3 TRP A 69 -0.266 -8.627 -4.520 1.00 0.30 C ATOM 1070 CH2 TRP A 69 -1.348 -9.499 -4.682 1.00 24.01 C ATOM 0 H TRP A 69 0.349 -6.383 -10.076 1.00 1.22 H new ATOM 0 HA TRP A 69 1.159 -5.920 -7.435 1.00 61.10 H new ATOM 0 HB2 TRP A 69 2.172 -7.840 -9.575 1.00 52.32 H new ATOM 0 HB3 TRP A 69 2.721 -7.897 -7.912 1.00 52.32 H new ATOM 0 HD1 TRP A 69 0.070 -9.291 -10.104 1.00 3.13 H new ATOM 0 HE1 TRP A 69 -1.757 -10.497 -8.734 1.00 61.12 H new ATOM 0 HE3 TRP A 69 1.326 -7.548 -5.465 1.00 62.04 H new ATOM 0 HZ2 TRP A 69 -2.533 -10.650 -6.041 1.00 32.13 H new ATOM 0 HZ3 TRP A 69 -0.018 -8.267 -3.533 1.00 0.30 H new ATOM 0 HH2 TRP A 69 -1.919 -9.801 -3.816 1.00 24.01 H new ATOM 1081 N LYS A 70 3.294 -4.678 -7.387 1.00 21.21 N ATOM 1082 CA LYS A 70 4.551 -3.928 -7.308 1.00 73.41 C ATOM 1083 C LYS A 70 5.498 -4.508 -6.244 1.00 54.03 C ATOM 1084 O LYS A 70 5.117 -4.705 -5.088 1.00 54.11 O ATOM 1085 CB LYS A 70 4.265 -2.450 -7.009 1.00 73.11 C ATOM 1086 CG LYS A 70 3.535 -1.721 -8.135 1.00 53.05 C ATOM 1087 CD LYS A 70 4.357 -1.708 -9.423 1.00 33.45 C ATOM 1088 CE LYS A 70 3.662 -0.936 -10.539 1.00 73.31 C ATOM 1089 NZ LYS A 70 4.505 -0.844 -11.763 1.00 12.23 N ATOM 0 H LYS A 70 2.727 -4.634 -6.540 1.00 21.21 H new ATOM 0 HA LYS A 70 5.048 -4.014 -8.274 1.00 73.41 H new ATOM 0 HB2 LYS A 70 3.669 -2.382 -6.099 1.00 73.11 H new ATOM 0 HB3 LYS A 70 5.208 -1.940 -6.811 1.00 73.11 H new ATOM 0 HG2 LYS A 70 2.576 -2.204 -8.320 1.00 53.05 H new ATOM 0 HG3 LYS A 70 3.322 -0.697 -7.828 1.00 53.05 H new ATOM 0 HD2 LYS A 70 5.332 -1.261 -9.226 1.00 33.45 H new ATOM 0 HD3 LYS A 70 4.536 -2.733 -9.749 1.00 33.45 H new ATOM 0 HE2 LYS A 70 2.719 -1.424 -10.784 1.00 73.31 H new ATOM 0 HE3 LYS A 70 3.420 0.068 -10.189 1.00 73.31 H new ATOM 0 HZ1 LYS A 70 3.929 -0.496 -12.556 1.00 12.23 H new ATOM 0 HZ2 LYS A 70 5.293 -0.187 -11.593 1.00 12.23 H new ATOM 0 HZ3 LYS A 70 4.883 -1.785 -11.996 1.00 12.23 H new ATOM 1103 N SER A 71 6.729 -4.793 -6.658 1.00 65.45 N ATOM 1104 CA SER A 71 7.782 -5.253 -5.740 1.00 44.02 C ATOM 1105 C SER A 71 9.137 -4.647 -6.117 1.00 41.33 C ATOM 1106 O SER A 71 10.186 -5.126 -5.688 1.00 0.22 O ATOM 1107 CB SER A 71 7.886 -6.785 -5.756 1.00 53.40 C ATOM 1108 OG SER A 71 8.259 -7.271 -7.041 1.00 33.25 O ATOM 0 H SER A 71 7.030 -4.715 -7.630 1.00 65.45 H new ATOM 0 HA SER A 71 7.513 -4.924 -4.737 1.00 44.02 H new ATOM 0 HB2 SER A 71 8.619 -7.108 -5.017 1.00 53.40 H new ATOM 0 HB3 SER A 71 6.929 -7.218 -5.466 1.00 53.40 H new ATOM 0 HG SER A 71 8.318 -8.249 -7.016 1.00 33.25 H new ATOM 1114 N LYS A 72 9.107 -3.579 -6.912 1.00 51.22 N ATOM 1115 CA LYS A 72 10.332 -2.949 -7.412 1.00 43.31 C ATOM 1116 C LYS A 72 10.557 -1.571 -6.770 1.00 35.33 C ATOM 1117 O LYS A 72 9.655 -0.731 -6.743 1.00 13.44 O ATOM 1118 CB LYS A 72 10.260 -2.808 -8.941 1.00 14.34 C ATOM 1119 CG LYS A 72 9.932 -4.116 -9.664 1.00 62.44 C ATOM 1120 CD LYS A 72 10.973 -5.202 -9.392 1.00 33.42 C ATOM 1121 CE LYS A 72 10.553 -6.544 -9.980 1.00 60.34 C ATOM 1122 NZ LYS A 72 10.366 -6.479 -11.454 1.00 61.22 N ATOM 0 H LYS A 72 8.247 -3.129 -7.225 1.00 51.22 H new ATOM 0 HA LYS A 72 11.174 -3.587 -7.143 1.00 43.31 H new ATOM 0 HB2 LYS A 72 9.504 -2.064 -9.193 1.00 14.34 H new ATOM 0 HB3 LYS A 72 11.214 -2.430 -9.308 1.00 14.34 H new ATOM 0 HG2 LYS A 72 8.950 -4.468 -9.347 1.00 62.44 H new ATOM 0 HG3 LYS A 72 9.873 -3.932 -10.737 1.00 62.44 H new ATOM 0 HD2 LYS A 72 11.931 -4.902 -9.817 1.00 33.42 H new ATOM 0 HD3 LYS A 72 11.119 -5.305 -8.317 1.00 33.42 H new ATOM 0 HE2 LYS A 72 11.308 -7.294 -9.744 1.00 60.34 H new ATOM 0 HE3 LYS A 72 9.624 -6.869 -9.512 1.00 60.34 H new ATOM 0 HZ1 LYS A 72 10.198 -7.436 -11.825 1.00 61.22 H new ATOM 0 HZ2 LYS A 72 9.550 -5.874 -11.674 1.00 61.22 H new ATOM 0 HZ3 LYS A 72 11.220 -6.082 -11.895 1.00 61.22 H new ATOM 1136 N ALA A 73 11.770 -1.343 -6.263 1.00 20.14 N ATOM 1137 CA ALA A 73 12.122 -0.072 -5.619 1.00 0.32 C ATOM 1138 C ALA A 73 12.079 1.097 -6.615 1.00 4.44 C ATOM 1139 O ALA A 73 12.955 1.228 -7.471 1.00 12.12 O ATOM 1140 CB ALA A 73 13.504 -0.171 -4.983 1.00 72.25 C ATOM 0 H ALA A 73 12.529 -2.024 -6.285 1.00 20.14 H new ATOM 0 HA ALA A 73 11.382 0.125 -4.843 1.00 0.32 H new ATOM 0 HB1 ALA A 73 13.755 0.778 -4.508 1.00 72.25 H new ATOM 0 HB2 ALA A 73 13.504 -0.963 -4.234 1.00 72.25 H new ATOM 0 HB3 ALA A 73 14.243 -0.399 -5.751 1.00 72.25 H new ATOM 1146 N GLY A 74 11.059 1.941 -6.499 1.00 73.22 N ATOM 1147 CA GLY A 74 10.898 3.059 -7.423 1.00 13.25 C ATOM 1148 C GLY A 74 9.439 3.294 -7.800 1.00 11.20 C ATOM 1149 O GLY A 74 9.006 4.439 -7.967 1.00 70.31 O ATOM 0 H GLY A 74 10.337 1.874 -5.781 1.00 73.22 H new ATOM 0 HA2 GLY A 74 11.304 3.963 -6.970 1.00 13.25 H new ATOM 0 HA3 GLY A 74 11.478 2.867 -8.326 1.00 13.25 H new ATOM 1153 N ASP A 75 8.679 2.207 -7.940 1.00 53.23 N ATOM 1154 CA ASP A 75 7.246 2.295 -8.235 1.00 61.51 C ATOM 1155 C ASP A 75 6.452 2.754 -7.001 1.00 41.32 C ATOM 1156 O ASP A 75 6.628 2.229 -5.899 1.00 71.12 O ATOM 1157 CB ASP A 75 6.718 0.949 -8.740 1.00 11.22 C ATOM 1158 CG ASP A 75 7.257 0.600 -10.119 1.00 12.53 C ATOM 1159 OD1 ASP A 75 6.647 1.023 -11.126 1.00 30.03 O ATOM 1160 OD2 ASP A 75 8.281 -0.107 -10.207 1.00 10.42 O ATOM 0 H ASP A 75 9.031 1.254 -7.854 1.00 53.23 H new ATOM 0 HA ASP A 75 7.110 3.040 -9.019 1.00 61.51 H new ATOM 0 HB2 ASP A 75 6.994 0.165 -8.035 1.00 11.22 H new ATOM 0 HB3 ASP A 75 5.629 0.978 -8.774 1.00 11.22 H new ATOM 1165 N THR A 76 5.585 3.743 -7.192 1.00 14.45 N ATOM 1166 CA THR A 76 4.783 4.303 -6.095 1.00 53.44 C ATOM 1167 C THR A 76 3.280 4.169 -6.368 1.00 51.44 C ATOM 1168 O THR A 76 2.846 4.137 -7.519 1.00 51.10 O ATOM 1169 CB THR A 76 5.111 5.797 -5.860 1.00 72.11 C ATOM 1170 OG1 THR A 76 4.890 6.549 -7.067 1.00 55.23 O ATOM 1171 CG2 THR A 76 6.556 5.980 -5.399 1.00 5.34 C ATOM 0 H THR A 76 5.415 4.179 -8.098 1.00 14.45 H new ATOM 0 HA THR A 76 5.040 3.730 -5.204 1.00 53.44 H new ATOM 0 HB THR A 76 4.450 6.165 -5.075 1.00 72.11 H new ATOM 0 HG1 THR A 76 5.099 7.493 -6.907 1.00 55.23 H new ATOM 0 HG21 THR A 76 6.756 7.040 -5.242 1.00 5.34 H new ATOM 0 HG22 THR A 76 6.711 5.439 -4.465 1.00 5.34 H new ATOM 0 HG23 THR A 76 7.233 5.591 -6.160 1.00 5.34 H new ATOM 1179 N ILE A 77 2.491 4.090 -5.299 1.00 40.20 N ATOM 1180 CA ILE A 77 1.029 4.013 -5.409 1.00 4.04 C ATOM 1181 C ILE A 77 0.384 5.277 -4.814 1.00 71.04 C ATOM 1182 O ILE A 77 0.419 5.488 -3.603 1.00 0.11 O ATOM 1183 CB ILE A 77 0.470 2.766 -4.672 1.00 22.23 C ATOM 1184 CG1 ILE A 77 1.154 1.476 -5.166 1.00 22.20 C ATOM 1185 CG2 ILE A 77 -1.046 2.671 -4.839 1.00 44.55 C ATOM 1186 CD1 ILE A 77 0.941 1.190 -6.637 1.00 34.25 C ATOM 0 H ILE A 77 2.838 4.077 -4.340 1.00 40.20 H new ATOM 0 HA ILE A 77 0.784 3.933 -6.468 1.00 4.04 H new ATOM 0 HB ILE A 77 0.691 2.879 -3.611 1.00 22.23 H new ATOM 0 HG12 ILE A 77 2.224 1.547 -4.972 1.00 22.20 H new ATOM 0 HG13 ILE A 77 0.780 0.633 -4.585 1.00 22.20 H new ATOM 0 HG21 ILE A 77 -1.415 1.790 -4.314 1.00 44.55 H new ATOM 0 HG22 ILE A 77 -1.514 3.563 -4.424 1.00 44.55 H new ATOM 0 HG23 ILE A 77 -1.291 2.592 -5.898 1.00 44.55 H new ATOM 0 HD11 ILE A 77 1.453 0.266 -6.906 1.00 34.25 H new ATOM 0 HD12 ILE A 77 -0.125 1.085 -6.836 1.00 34.25 H new ATOM 0 HD13 ILE A 77 1.341 2.013 -7.229 1.00 34.25 H new ATOM 1198 N VAL A 78 -0.196 6.117 -5.671 1.00 73.44 N ATOM 1199 CA VAL A 78 -0.759 7.401 -5.233 1.00 52.42 C ATOM 1200 C VAL A 78 -2.299 7.396 -5.234 1.00 60.12 C ATOM 1201 O VAL A 78 -2.933 7.257 -6.280 1.00 2.10 O ATOM 1202 CB VAL A 78 -0.258 8.554 -6.143 1.00 1.01 C ATOM 1203 CG1 VAL A 78 -0.751 9.907 -5.634 1.00 43.25 C ATOM 1204 CG2 VAL A 78 1.266 8.535 -6.256 1.00 73.20 C ATOM 0 H VAL A 78 -0.290 5.935 -6.670 1.00 73.44 H new ATOM 0 HA VAL A 78 -0.419 7.557 -4.209 1.00 52.42 H new ATOM 0 HB VAL A 78 -0.672 8.400 -7.139 1.00 1.01 H new ATOM 0 HG11 VAL A 78 -0.386 10.697 -6.290 1.00 43.25 H new ATOM 0 HG12 VAL A 78 -1.841 9.917 -5.625 1.00 43.25 H new ATOM 0 HG13 VAL A 78 -0.379 10.073 -4.623 1.00 43.25 H new ATOM 0 HG21 VAL A 78 1.593 9.352 -6.899 1.00 73.20 H new ATOM 0 HG22 VAL A 78 1.706 8.654 -5.266 1.00 73.20 H new ATOM 0 HG23 VAL A 78 1.587 7.586 -6.684 1.00 73.20 H new ATOM 1214 N CYS A 79 -2.893 7.557 -4.050 1.00 44.54 N ATOM 1215 CA CYS A 79 -4.350 7.675 -3.904 1.00 13.55 C ATOM 1216 C CYS A 79 -4.731 8.994 -3.213 1.00 60.40 C ATOM 1217 O CYS A 79 -5.076 9.011 -2.027 1.00 34.41 O ATOM 1218 CB CYS A 79 -4.913 6.484 -3.114 1.00 23.11 C ATOM 1219 SG CYS A 79 -4.676 4.879 -3.921 1.00 21.43 S ATOM 0 H CYS A 79 -2.383 7.609 -3.168 1.00 44.54 H new ATOM 0 HA CYS A 79 -4.786 7.672 -4.903 1.00 13.55 H new ATOM 0 HB2 CYS A 79 -4.440 6.458 -2.132 1.00 23.11 H new ATOM 0 HB3 CYS A 79 -5.979 6.642 -2.951 1.00 23.11 H new ATOM 0 HG CYS A 79 -5.182 3.940 -3.177 1.00 21.43 H new ATOM 1225 N LEU A 80 -4.668 10.096 -3.962 1.00 35.20 N ATOM 1226 CA LEU A 80 -4.948 11.436 -3.413 1.00 35.33 C ATOM 1227 C LEU A 80 -6.354 11.549 -2.778 1.00 74.22 C ATOM 1228 O LEU A 80 -6.483 12.068 -1.669 1.00 42.35 O ATOM 1229 CB LEU A 80 -4.754 12.516 -4.493 1.00 4.23 C ATOM 1230 CG LEU A 80 -3.326 12.639 -5.053 1.00 42.20 C ATOM 1231 CD1 LEU A 80 -3.244 13.755 -6.094 1.00 13.45 C ATOM 1232 CD2 LEU A 80 -2.323 12.872 -3.923 1.00 73.25 C ATOM 0 H LEU A 80 -4.426 10.093 -4.953 1.00 35.20 H new ATOM 0 HA LEU A 80 -4.229 11.598 -2.610 1.00 35.33 H new ATOM 0 HB2 LEU A 80 -5.433 12.306 -5.319 1.00 4.23 H new ATOM 0 HB3 LEU A 80 -5.047 13.480 -4.076 1.00 4.23 H new ATOM 0 HG LEU A 80 -3.071 11.701 -5.546 1.00 42.20 H new ATOM 0 HD11 LEU A 80 -2.225 13.823 -6.475 1.00 13.45 H new ATOM 0 HD12 LEU A 80 -3.925 13.536 -6.916 1.00 13.45 H new ATOM 0 HD13 LEU A 80 -3.523 14.703 -5.634 1.00 13.45 H new ATOM 0 HD21 LEU A 80 -1.319 12.956 -4.339 1.00 73.25 H new ATOM 0 HD22 LEU A 80 -2.576 13.792 -3.396 1.00 73.25 H new ATOM 0 HD23 LEU A 80 -2.358 12.034 -3.227 1.00 73.25 H new ATOM 1244 N PRO A 81 -7.433 11.065 -3.447 1.00 32.03 N ATOM 1245 CA PRO A 81 -8.792 11.092 -2.864 1.00 61.30 C ATOM 1246 C PRO A 81 -8.883 10.393 -1.491 1.00 2.11 C ATOM 1247 O PRO A 81 -9.835 10.594 -0.738 1.00 54.12 O ATOM 1248 CB PRO A 81 -9.640 10.337 -3.896 1.00 24.15 C ATOM 1249 CG PRO A 81 -8.894 10.469 -5.179 1.00 42.02 C ATOM 1250 CD PRO A 81 -7.434 10.489 -4.809 1.00 61.32 C ATOM 0 HA PRO A 81 -9.118 12.115 -2.676 1.00 61.30 H new ATOM 0 HB2 PRO A 81 -9.762 9.291 -3.617 1.00 24.15 H new ATOM 0 HB3 PRO A 81 -10.639 10.765 -3.975 1.00 24.15 H new ATOM 0 HG2 PRO A 81 -9.116 9.637 -5.847 1.00 42.02 H new ATOM 0 HG3 PRO A 81 -9.177 11.382 -5.703 1.00 42.02 H new ATOM 0 HD2 PRO A 81 -7.002 9.488 -4.822 1.00 61.32 H new ATOM 0 HD3 PRO A 81 -6.852 11.096 -5.502 1.00 61.32 H new ATOM 1258 N HIS A 82 -7.899 9.543 -1.186 1.00 30.12 N ATOM 1259 CA HIS A 82 -7.856 8.823 0.094 1.00 60.31 C ATOM 1260 C HIS A 82 -6.677 9.295 0.967 1.00 41.03 C ATOM 1261 O HIS A 82 -6.486 8.804 2.081 1.00 32.14 O ATOM 1262 CB HIS A 82 -7.751 7.309 -0.157 1.00 21.14 C ATOM 1263 CG HIS A 82 -8.957 6.703 -0.819 1.00 4.52 C ATOM 1264 ND1 HIS A 82 -9.327 5.388 -0.647 1.00 50.34 N ATOM 1265 CD2 HIS A 82 -9.871 7.228 -1.673 1.00 34.13 C ATOM 1266 CE1 HIS A 82 -10.402 5.133 -1.359 1.00 34.44 C ATOM 1267 NE2 HIS A 82 -10.756 6.232 -1.989 1.00 3.22 N ATOM 0 H HIS A 82 -7.118 9.335 -1.809 1.00 30.12 H new ATOM 0 HA HIS A 82 -8.779 9.039 0.631 1.00 60.31 H new ATOM 0 HB2 HIS A 82 -6.876 7.116 -0.778 1.00 21.14 H new ATOM 0 HB3 HIS A 82 -7.584 6.806 0.795 1.00 21.14 H new ATOM 0 HD1 HIS A 82 -8.840 4.714 -0.056 1.00 50.34 H new ATOM 0 HD2 HIS A 82 -9.896 8.245 -2.037 1.00 34.13 H new ATOM 0 HE1 HIS A 82 -10.909 4.181 -1.417 1.00 34.44 H new ATOM 0 HE2 HIS A 82 -11.559 6.327 -2.611 1.00 3.22 H new ATOM 1276 N LYS A 83 -5.895 10.252 0.448 1.00 13.14 N ATOM 1277 CA LYS A 83 -4.706 10.786 1.142 1.00 3.41 C ATOM 1278 C LYS A 83 -3.618 9.718 1.349 1.00 15.03 C ATOM 1279 O LYS A 83 -2.688 9.920 2.131 1.00 41.34 O ATOM 1280 CB LYS A 83 -5.094 11.396 2.499 1.00 62.10 C ATOM 1281 CG LYS A 83 -5.859 12.712 2.401 1.00 35.34 C ATOM 1282 CD LYS A 83 -6.343 13.169 3.775 1.00 62.44 C ATOM 1283 CE LYS A 83 -6.866 14.599 3.764 1.00 71.22 C ATOM 1284 NZ LYS A 83 -5.774 15.598 3.594 1.00 31.14 N ATOM 0 H LYS A 83 -6.065 10.679 -0.462 1.00 13.14 H new ATOM 0 HA LYS A 83 -4.293 11.562 0.498 1.00 3.41 H new ATOM 0 HB2 LYS A 83 -5.702 10.676 3.047 1.00 62.10 H new ATOM 0 HB3 LYS A 83 -4.188 11.559 3.083 1.00 62.10 H new ATOM 0 HG2 LYS A 83 -5.218 13.478 1.965 1.00 35.34 H new ATOM 0 HG3 LYS A 83 -6.712 12.592 1.733 1.00 35.34 H new ATOM 0 HD2 LYS A 83 -7.131 12.500 4.120 1.00 62.44 H new ATOM 0 HD3 LYS A 83 -5.524 13.091 4.490 1.00 62.44 H new ATOM 0 HE2 LYS A 83 -7.589 14.713 2.956 1.00 71.22 H new ATOM 0 HE3 LYS A 83 -7.395 14.797 4.696 1.00 71.22 H new ATOM 0 HZ1 LYS A 83 -6.149 16.554 3.761 1.00 31.14 H new ATOM 0 HZ2 LYS A 83 -5.013 15.400 4.275 1.00 31.14 H new ATOM 0 HZ3 LYS A 83 -5.396 15.538 2.627 1.00 31.14 H new ATOM 1298 N VAL A 84 -3.721 8.600 0.632 1.00 75.42 N ATOM 1299 CA VAL A 84 -2.780 7.484 0.793 1.00 62.43 C ATOM 1300 C VAL A 84 -1.664 7.521 -0.262 1.00 23.51 C ATOM 1301 O VAL A 84 -1.928 7.587 -1.461 1.00 23.54 O ATOM 1302 CB VAL A 84 -3.510 6.114 0.718 1.00 12.34 C ATOM 1303 CG1 VAL A 84 -2.523 4.955 0.879 1.00 21.34 C ATOM 1304 CG2 VAL A 84 -4.617 6.033 1.772 1.00 53.21 C ATOM 0 H VAL A 84 -4.446 8.439 -0.067 1.00 75.42 H new ATOM 0 HA VAL A 84 -2.331 7.598 1.780 1.00 62.43 H new ATOM 0 HB VAL A 84 -3.968 6.030 -0.268 1.00 12.34 H new ATOM 0 HG11 VAL A 84 -3.061 4.009 0.823 1.00 21.34 H new ATOM 0 HG12 VAL A 84 -1.779 4.998 0.084 1.00 21.34 H new ATOM 0 HG13 VAL A 84 -2.025 5.032 1.846 1.00 21.34 H new ATOM 0 HG21 VAL A 84 -5.116 5.066 1.702 1.00 53.21 H new ATOM 0 HG22 VAL A 84 -4.183 6.147 2.765 1.00 53.21 H new ATOM 0 HG23 VAL A 84 -5.342 6.828 1.600 1.00 53.21 H new ATOM 1314 N PHE A 85 -0.418 7.472 0.199 1.00 10.32 N ATOM 1315 CA PHE A 85 0.751 7.449 -0.689 1.00 63.41 C ATOM 1316 C PHE A 85 1.712 6.318 -0.290 1.00 12.13 C ATOM 1317 O PHE A 85 2.304 6.345 0.792 1.00 62.41 O ATOM 1318 CB PHE A 85 1.473 8.809 -0.644 1.00 73.34 C ATOM 1319 CG PHE A 85 2.723 8.873 -1.494 1.00 62.34 C ATOM 1320 CD1 PHE A 85 2.639 9.081 -2.864 1.00 54.05 C ATOM 1321 CD2 PHE A 85 3.981 8.729 -0.920 1.00 1.10 C ATOM 1322 CE1 PHE A 85 3.780 9.141 -3.641 1.00 70.43 C ATOM 1323 CE2 PHE A 85 5.122 8.788 -1.695 1.00 10.43 C ATOM 1324 CZ PHE A 85 5.022 8.995 -3.057 1.00 14.45 C ATOM 0 H PHE A 85 -0.185 7.447 1.192 1.00 10.32 H new ATOM 0 HA PHE A 85 0.411 7.264 -1.708 1.00 63.41 H new ATOM 0 HB2 PHE A 85 0.783 9.586 -0.973 1.00 73.34 H new ATOM 0 HB3 PHE A 85 1.737 9.034 0.389 1.00 73.34 H new ATOM 0 HD1 PHE A 85 1.671 9.197 -3.328 1.00 54.05 H new ATOM 0 HD2 PHE A 85 4.067 8.569 0.145 1.00 1.10 H new ATOM 0 HE1 PHE A 85 3.700 9.302 -4.706 1.00 70.43 H new ATOM 0 HE2 PHE A 85 6.093 8.672 -1.236 1.00 10.43 H new ATOM 0 HZ PHE A 85 5.914 9.043 -3.664 1.00 14.45 H new ATOM 1334 N VAL A 86 1.850 5.317 -1.156 1.00 5.01 N ATOM 1335 CA VAL A 86 2.740 4.180 -0.892 1.00 42.43 C ATOM 1336 C VAL A 86 4.068 4.324 -1.649 1.00 44.32 C ATOM 1337 O VAL A 86 4.099 4.338 -2.881 1.00 65.32 O ATOM 1338 CB VAL A 86 2.078 2.835 -1.280 1.00 14.15 C ATOM 1339 CG1 VAL A 86 2.983 1.657 -0.920 1.00 54.31 C ATOM 1340 CG2 VAL A 86 0.704 2.694 -0.621 1.00 65.05 C ATOM 0 H VAL A 86 1.358 5.266 -2.048 1.00 5.01 H new ATOM 0 HA VAL A 86 2.936 4.180 0.180 1.00 42.43 H new ATOM 0 HB VAL A 86 1.934 2.828 -2.360 1.00 14.15 H new ATOM 0 HG11 VAL A 86 2.495 0.724 -1.202 1.00 54.31 H new ATOM 0 HG12 VAL A 86 3.929 1.748 -1.454 1.00 54.31 H new ATOM 0 HG13 VAL A 86 3.171 1.657 0.154 1.00 54.31 H new ATOM 0 HG21 VAL A 86 0.259 1.742 -0.908 1.00 65.05 H new ATOM 0 HG22 VAL A 86 0.815 2.730 0.463 1.00 65.05 H new ATOM 0 HG23 VAL A 86 0.059 3.509 -0.947 1.00 65.05 H new ATOM 1350 N GLU A 87 5.162 4.427 -0.900 1.00 1.34 N ATOM 1351 CA GLU A 87 6.504 4.569 -1.476 1.00 23.41 C ATOM 1352 C GLU A 87 7.310 3.263 -1.324 1.00 30.44 C ATOM 1353 O GLU A 87 7.700 2.889 -0.217 1.00 35.54 O ATOM 1354 CB GLU A 87 7.235 5.729 -0.775 1.00 44.24 C ATOM 1355 CG GLU A 87 8.596 6.085 -1.374 1.00 64.21 C ATOM 1356 CD GLU A 87 9.320 7.163 -0.574 1.00 23.30 C ATOM 1357 OE1 GLU A 87 9.044 8.363 -0.789 1.00 55.53 O ATOM 1358 OE2 GLU A 87 10.154 6.809 0.290 1.00 65.41 O ATOM 0 H GLU A 87 5.148 4.415 0.120 1.00 1.34 H new ATOM 0 HA GLU A 87 6.411 4.783 -2.541 1.00 23.41 H new ATOM 0 HB2 GLU A 87 6.598 6.613 -0.806 1.00 44.24 H new ATOM 0 HB3 GLU A 87 7.372 5.472 0.275 1.00 44.24 H new ATOM 0 HG2 GLU A 87 9.216 5.190 -1.417 1.00 64.21 H new ATOM 0 HG3 GLU A 87 8.460 6.428 -2.400 1.00 64.21 H new ATOM 1365 N ILE A 88 7.535 2.554 -2.432 1.00 30.41 N ATOM 1366 CA ILE A 88 8.312 1.306 -2.404 1.00 34.45 C ATOM 1367 C ILE A 88 9.804 1.569 -2.672 1.00 14.04 C ATOM 1368 O ILE A 88 10.182 2.087 -3.728 1.00 42.24 O ATOM 1369 CB ILE A 88 7.771 0.277 -3.429 1.00 12.45 C ATOM 1370 CG1 ILE A 88 6.292 -0.043 -3.132 1.00 1.12 C ATOM 1371 CG2 ILE A 88 8.618 -1.002 -3.417 1.00 21.03 C ATOM 1372 CD1 ILE A 88 5.677 -1.047 -4.084 1.00 22.25 C ATOM 0 H ILE A 88 7.194 2.818 -3.356 1.00 30.41 H new ATOM 0 HA ILE A 88 8.204 0.889 -1.403 1.00 34.45 H new ATOM 0 HB ILE A 88 7.838 0.713 -4.426 1.00 12.45 H new ATOM 0 HG12 ILE A 88 6.211 -0.425 -2.114 1.00 1.12 H new ATOM 0 HG13 ILE A 88 5.716 0.881 -3.172 1.00 1.12 H new ATOM 0 HG21 ILE A 88 8.219 -1.709 -4.144 1.00 21.03 H new ATOM 0 HG22 ILE A 88 9.649 -0.758 -3.675 1.00 21.03 H new ATOM 0 HG23 ILE A 88 8.589 -1.448 -2.423 1.00 21.03 H new ATOM 0 HD11 ILE A 88 4.636 -1.219 -3.809 1.00 22.25 H new ATOM 0 HD12 ILE A 88 5.724 -0.660 -5.102 1.00 22.25 H new ATOM 0 HD13 ILE A 88 6.227 -1.986 -4.027 1.00 22.25 H new ATOM 1384 N LYS A 89 10.649 1.189 -1.718 1.00 44.41 N ATOM 1385 CA LYS A 89 12.086 1.480 -1.785 1.00 30.21 C ATOM 1386 C LYS A 89 12.920 0.276 -1.311 1.00 55.32 C ATOM 1387 O LYS A 89 12.442 -0.560 -0.549 1.00 23.11 O ATOM 1388 CB LYS A 89 12.387 2.719 -0.929 1.00 22.24 C ATOM 1389 CG LYS A 89 12.030 2.545 0.548 1.00 50.33 C ATOM 1390 CD LYS A 89 11.670 3.868 1.219 1.00 60.22 C ATOM 1391 CE LYS A 89 12.813 4.872 1.183 1.00 33.00 C ATOM 1392 NZ LYS A 89 12.410 6.179 1.774 1.00 35.14 N ATOM 0 H LYS A 89 10.366 0.676 -0.883 1.00 44.41 H new ATOM 0 HA LYS A 89 12.361 1.677 -2.821 1.00 30.21 H new ATOM 0 HB2 LYS A 89 13.447 2.959 -1.012 1.00 22.24 H new ATOM 0 HB3 LYS A 89 11.836 3.570 -1.330 1.00 22.24 H new ATOM 0 HG2 LYS A 89 11.191 1.855 0.637 1.00 50.33 H new ATOM 0 HG3 LYS A 89 12.872 2.092 1.072 1.00 50.33 H new ATOM 0 HD2 LYS A 89 10.799 4.297 0.724 1.00 60.22 H new ATOM 0 HD3 LYS A 89 11.388 3.681 2.255 1.00 60.22 H new ATOM 0 HE2 LYS A 89 13.667 4.472 1.729 1.00 33.00 H new ATOM 0 HE3 LYS A 89 13.135 5.021 0.153 1.00 33.00 H new ATOM 0 HZ1 LYS A 89 13.212 6.840 1.734 1.00 35.14 H new ATOM 0 HZ2 LYS A 89 11.611 6.571 1.237 1.00 35.14 H new ATOM 0 HZ3 LYS A 89 12.126 6.039 2.765 1.00 35.14 H new ATOM 1406 N SER A 90 14.167 0.188 -1.767 1.00 11.45 N ATOM 1407 CA SER A 90 15.044 -0.944 -1.416 1.00 74.30 C ATOM 1408 C SER A 90 15.956 -0.618 -0.232 1.00 50.30 C ATOM 1409 O SER A 90 16.330 0.535 -0.018 1.00 41.22 O ATOM 1410 CB SER A 90 15.906 -1.366 -2.612 1.00 13.32 C ATOM 1411 OG SER A 90 16.796 -2.415 -2.257 1.00 72.11 O ATOM 0 H SER A 90 14.599 0.881 -2.379 1.00 11.45 H new ATOM 0 HA SER A 90 14.387 -1.766 -1.132 1.00 74.30 H new ATOM 0 HB2 SER A 90 15.264 -1.691 -3.430 1.00 13.32 H new ATOM 0 HB3 SER A 90 16.475 -0.510 -2.974 1.00 13.32 H new ATOM 0 HG SER A 90 16.327 -3.065 -1.694 1.00 72.11 H new ATOM 1417 N THR A 91 16.307 -1.648 0.540 1.00 1.33 N ATOM 1418 CA THR A 91 17.234 -1.500 1.672 1.00 21.25 C ATOM 1419 C THR A 91 18.694 -1.660 1.226 1.00 52.45 C ATOM 1420 O THR A 91 19.614 -1.631 2.045 1.00 63.44 O ATOM 1421 CB THR A 91 16.947 -2.543 2.784 1.00 60.43 C ATOM 1422 OG1 THR A 91 17.197 -3.877 2.301 1.00 55.33 O ATOM 1423 CG2 THR A 91 15.502 -2.446 3.267 1.00 65.40 C ATOM 0 H THR A 91 15.964 -2.599 0.404 1.00 1.33 H new ATOM 0 HA THR A 91 17.078 -0.495 2.065 1.00 21.25 H new ATOM 0 HB THR A 91 17.614 -2.327 3.619 1.00 60.43 H new ATOM 0 HG1 THR A 91 18.149 -3.975 2.090 1.00 55.33 H new ATOM 0 HG21 THR A 91 15.328 -3.188 4.046 1.00 65.40 H new ATOM 0 HG22 THR A 91 15.319 -1.449 3.668 1.00 65.40 H new ATOM 0 HG23 THR A 91 14.826 -2.631 2.432 1.00 65.40 H new ATOM 1431 N GLN A 92 18.900 -1.846 -0.077 1.00 23.02 N ATOM 1432 CA GLN A 92 20.238 -2.086 -0.630 1.00 13.32 C ATOM 1433 C GLN A 92 20.945 -0.768 -1.001 1.00 52.35 C ATOM 1434 O GLN A 92 20.507 0.318 -0.619 1.00 3.42 O ATOM 1435 CB GLN A 92 20.134 -3.008 -1.856 1.00 14.13 C ATOM 1436 CG GLN A 92 19.330 -4.287 -1.605 1.00 4.42 C ATOM 1437 CD GLN A 92 19.869 -5.114 -0.451 1.00 21.22 C ATOM 1438 OE1 GLN A 92 19.488 -4.922 0.701 1.00 4.33 O ATOM 1439 NE2 GLN A 92 20.755 -6.042 -0.746 1.00 74.35 N ATOM 0 H GLN A 92 18.156 -1.836 -0.774 1.00 23.02 H new ATOM 0 HA GLN A 92 20.841 -2.572 0.137 1.00 13.32 H new ATOM 0 HB2 GLN A 92 19.673 -2.456 -2.675 1.00 14.13 H new ATOM 0 HB3 GLN A 92 21.139 -3.280 -2.180 1.00 14.13 H new ATOM 0 HG2 GLN A 92 18.293 -4.022 -1.401 1.00 4.42 H new ATOM 0 HG3 GLN A 92 19.332 -4.894 -2.511 1.00 4.42 H new ATOM 0 HE21 GLN A 92 21.050 -6.176 -1.713 1.00 74.35 H new ATOM 0 HE22 GLN A 92 21.146 -6.627 -0.008 1.00 74.35 H new