USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 893 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 98 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0472) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot -147:sc= 0.301 USER MOD Set 2.3: A 53 CYS SG : rot 170:sc= 0.593 USER MOD Single : A 10 THR OG1 : rot 43:sc= 0.0687 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -4.95! C(o=-6!,f=-5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -169:sc= 1.37 USER MOD Single : A 41 SER OG : rot -118:sc= 1.09 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -1.55 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0.033) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 159:sc= 0.518 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 94:sc= 0.137 USER MOD Single : A 77 GLN : amide:sc= -0.0778 K(o=-0.078,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -3.82! C(o=-3.8!,f=-17!) USER MOD Single : A 93 GLN : amide:sc= 0.858 K(o=0.86,f=-0.19) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.268 (180deg=-1.19) USER MOD Single : A 102 THR OG1 : rot -31:sc= 0.929 USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= 0.0602 (180deg=0.0538) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -91:sc= -0.406 USER MOD Single : A 110 GLN : amide:sc=-0.00948 X(o=-0.0095,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 59:sc= -1.5! USER MOD Single : A 118 CYS SG : rot -33:sc= 0.254 USER MOD Single : A 119 GLN : amide:sc= -3.28 K(o=-3.3,f=-6.1!) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 125 MET CE :methyl 149:sc= -0.358 (180deg=-1.28!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 10 0.101 4.552 7.293 1.00 0.00 N ATOM 103 CA THR A 10 -0.420 3.586 8.251 1.00 0.00 C ATOM 104 C THR A 10 -0.615 2.220 7.603 1.00 0.00 C ATOM 105 O THR A 10 -1.298 2.096 6.586 1.00 0.00 O ATOM 106 CB THR A 10 -1.760 4.054 8.850 1.00 0.00 C ATOM 107 OG1 THR A 10 -2.638 4.488 7.805 1.00 0.00 O ATOM 108 CG2 THR A 10 -1.543 5.187 9.841 1.00 0.00 C ATOM 0 HA THR A 10 0.317 3.504 9.050 1.00 0.00 H new ATOM 0 HB THR A 10 -2.211 3.213 9.377 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.589 3.860 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.503 5.501 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.898 4.844 10.650 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.072 6.029 9.334 1.00 0.00 H new ATOM 116 N PHE A 11 -0.013 1.196 8.198 1.00 0.00 N ATOM 117 CA PHE A 11 -0.121 -0.162 7.678 1.00 0.00 C ATOM 118 C PHE A 11 -0.860 -1.065 8.662 1.00 0.00 C ATOM 119 O PHE A 11 -0.504 -1.140 9.837 1.00 0.00 O ATOM 120 CB PHE A 11 1.269 -0.733 7.390 1.00 0.00 C ATOM 121 CG PHE A 11 1.876 -1.453 8.560 1.00 0.00 C ATOM 122 CD1 PHE A 11 2.497 -0.748 9.579 1.00 0.00 C ATOM 123 CD2 PHE A 11 1.824 -2.835 8.643 1.00 0.00 C ATOM 124 CE1 PHE A 11 3.056 -1.408 10.656 1.00 0.00 C ATOM 125 CE2 PHE A 11 2.381 -3.501 9.718 1.00 0.00 C ATOM 126 CZ PHE A 11 2.997 -2.786 10.727 1.00 0.00 C ATOM 0 H PHE A 11 0.555 1.281 9.041 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.690 -0.124 6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.203 -1.419 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.931 0.079 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.544 0.330 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.342 -3.399 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.539 -0.847 11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.335 -4.579 9.769 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.431 -3.304 11.569 1.00 0.00 H new ATOM 136 N GLU A 12 -1.890 -1.746 8.171 1.00 0.00 N ATOM 137 CA GLU A 12 -2.680 -2.642 9.008 1.00 0.00 C ATOM 138 C GLU A 12 -2.585 -4.080 8.506 1.00 0.00 C ATOM 139 O GLU A 12 -2.899 -4.367 7.351 1.00 0.00 O ATOM 140 CB GLU A 12 -4.143 -2.195 9.033 1.00 0.00 C ATOM 141 CG GLU A 12 -5.053 -3.131 9.811 1.00 0.00 C ATOM 142 CD GLU A 12 -4.834 -3.045 11.309 1.00 0.00 C ATOM 143 OE1 GLU A 12 -5.212 -2.015 11.905 1.00 0.00 O ATOM 144 OE2 GLU A 12 -4.285 -4.008 11.885 1.00 0.00 O ATOM 0 H GLU A 12 -2.197 -1.695 7.200 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.278 -2.601 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.202 -1.198 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.507 -2.116 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.092 -2.892 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.882 -4.156 9.481 1.00 0.00 H new ATOM 151 N GLU A 13 -2.149 -4.979 9.383 1.00 0.00 N ATOM 152 CA GLU A 13 -2.011 -6.387 9.028 1.00 0.00 C ATOM 153 C GLU A 13 -3.335 -7.125 9.205 1.00 0.00 C ATOM 154 O GLU A 13 -3.965 -7.048 10.259 1.00 0.00 O ATOM 155 CB GLU A 13 -0.928 -7.048 9.884 1.00 0.00 C ATOM 156 CG GLU A 13 -0.266 -8.240 9.214 1.00 0.00 C ATOM 157 CD GLU A 13 -1.002 -9.539 9.476 1.00 0.00 C ATOM 158 OE1 GLU A 13 -2.243 -9.555 9.339 1.00 0.00 O ATOM 159 OE2 GLU A 13 -0.337 -10.540 9.818 1.00 0.00 O ATOM 0 H GLU A 13 -1.886 -4.758 10.343 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.720 -6.444 7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.165 -6.308 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.369 -7.371 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.215 -8.066 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.760 -8.329 9.571 1.00 0.00 H new ATOM 166 N VAL A 14 -3.750 -7.839 8.164 1.00 0.00 N ATOM 167 CA VAL A 14 -4.999 -8.592 8.203 1.00 0.00 C ATOM 168 C VAL A 14 -4.784 -10.036 7.763 1.00 0.00 C ATOM 169 O VAL A 14 -4.502 -10.304 6.595 1.00 0.00 O ATOM 170 CB VAL A 14 -6.071 -7.947 7.305 1.00 0.00 C ATOM 171 CG1 VAL A 14 -7.368 -8.740 7.368 1.00 0.00 C ATOM 172 CG2 VAL A 14 -6.302 -6.498 7.707 1.00 0.00 C ATOM 0 H VAL A 14 -3.240 -7.912 7.283 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.345 -8.578 9.236 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.714 -7.961 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.114 -8.269 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.188 -9.760 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.733 -8.760 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.063 -6.058 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.637 -6.457 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.372 -5.939 7.604 1.00 0.00 H new ATOM 182 N SER A 15 -4.920 -10.963 8.706 1.00 0.00 N ATOM 183 CA SER A 15 -4.738 -12.380 8.416 1.00 0.00 C ATOM 184 C SER A 15 -6.056 -13.022 7.992 1.00 0.00 C ATOM 185 O SER A 15 -7.101 -12.777 8.594 1.00 0.00 O ATOM 186 CB SER A 15 -4.176 -13.104 9.641 1.00 0.00 C ATOM 187 OG SER A 15 -4.124 -14.504 9.426 1.00 0.00 O ATOM 0 H SER A 15 -5.156 -10.758 9.677 1.00 0.00 H new ATOM 0 HA SER A 15 -4.029 -12.469 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.177 -12.729 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.797 -12.889 10.511 1.00 0.00 H new ATOM 0 HG SER A 15 -3.760 -14.944 10.222 1.00 0.00 H new ATOM 193 N VAL A 16 -5.997 -13.845 6.949 1.00 0.00 N ATOM 194 CA VAL A 16 -7.184 -14.523 6.444 1.00 0.00 C ATOM 195 C VAL A 16 -6.818 -15.836 5.761 1.00 0.00 C ATOM 196 O VAL A 16 -5.702 -16.002 5.268 1.00 0.00 O ATOM 197 CB VAL A 16 -7.956 -13.637 5.447 1.00 0.00 C ATOM 198 CG1 VAL A 16 -8.628 -12.480 6.171 1.00 0.00 C ATOM 199 CG2 VAL A 16 -7.025 -13.127 4.358 1.00 0.00 C ATOM 0 H VAL A 16 -5.140 -14.058 6.438 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.821 -14.729 7.305 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.733 -14.240 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.168 -11.865 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.326 -12.870 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.871 -11.874 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.586 -12.503 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.225 -12.539 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.595 -13.973 3.821 1.00 0.00 H new ATOM 209 N LEU A 17 -7.765 -16.767 5.736 1.00 0.00 N ATOM 210 CA LEU A 17 -7.543 -18.068 5.113 1.00 0.00 C ATOM 211 C LEU A 17 -8.667 -18.403 4.137 1.00 0.00 C ATOM 212 O LEU A 17 -9.750 -18.822 4.543 1.00 0.00 O ATOM 213 CB LEU A 17 -7.438 -19.156 6.182 1.00 0.00 C ATOM 214 CG LEU A 17 -6.649 -20.407 5.792 1.00 0.00 C ATOM 215 CD1 LEU A 17 -6.378 -21.270 7.014 1.00 0.00 C ATOM 216 CD2 LEU A 17 -7.398 -21.201 4.732 1.00 0.00 C ATOM 0 H LEU A 17 -8.694 -16.646 6.140 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.606 -18.023 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.977 -18.722 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.446 -19.460 6.463 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.692 -20.094 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.816 -22.155 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.800 -20.700 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.324 -21.574 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.822 -22.087 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.370 -21.503 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.540 -20.582 3.846 1.00 0.00 H new ATOM 228 N GLY A 18 -8.399 -18.218 2.848 1.00 0.00 N ATOM 229 CA GLY A 18 -9.397 -18.508 1.834 1.00 0.00 C ATOM 230 C GLY A 18 -9.800 -17.276 1.049 1.00 0.00 C ATOM 231 O GLY A 18 -9.341 -16.170 1.335 1.00 0.00 O ATOM 0 H GLY A 18 -7.509 -17.873 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.006 -19.260 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.279 -18.937 2.309 1.00 0.00 H new ATOM 235 N PHE A 19 -10.659 -17.466 0.053 1.00 0.00 N ATOM 236 CA PHE A 19 -11.122 -16.361 -0.779 1.00 0.00 C ATOM 237 C PHE A 19 -12.243 -15.591 -0.086 1.00 0.00 C ATOM 238 O PHE A 19 -12.372 -14.379 -0.254 1.00 0.00 O ATOM 239 CB PHE A 19 -11.608 -16.883 -2.132 1.00 0.00 C ATOM 240 CG PHE A 19 -11.884 -15.795 -3.131 1.00 0.00 C ATOM 241 CD1 PHE A 19 -12.963 -14.942 -2.965 1.00 0.00 C ATOM 242 CD2 PHE A 19 -11.063 -15.625 -4.234 1.00 0.00 C ATOM 243 CE1 PHE A 19 -13.219 -13.940 -3.882 1.00 0.00 C ATOM 244 CE2 PHE A 19 -11.314 -14.625 -5.155 1.00 0.00 C ATOM 245 CZ PHE A 19 -12.393 -13.781 -4.978 1.00 0.00 C ATOM 0 H PHE A 19 -11.049 -18.375 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.284 -15.683 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.858 -17.560 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.516 -17.467 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.611 -15.061 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.217 -16.281 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.064 -13.282 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.667 -14.504 -6.012 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.591 -12.998 -5.695 1.00 0.00 H new ATOM 255 N GLU A 20 -13.050 -16.304 0.693 1.00 0.00 N ATOM 256 CA GLU A 20 -14.160 -15.688 1.410 1.00 0.00 C ATOM 257 C GLU A 20 -13.664 -14.571 2.324 1.00 0.00 C ATOM 258 O GLU A 20 -13.928 -13.394 2.081 1.00 0.00 O ATOM 259 CB GLU A 20 -14.911 -16.738 2.231 1.00 0.00 C ATOM 260 CG GLU A 20 -15.715 -17.711 1.385 1.00 0.00 C ATOM 261 CD GLU A 20 -16.914 -17.057 0.724 1.00 0.00 C ATOM 262 OE1 GLU A 20 -17.989 -17.015 1.357 1.00 0.00 O ATOM 263 OE2 GLU A 20 -16.776 -16.589 -0.425 1.00 0.00 O ATOM 0 H GLU A 20 -12.956 -17.308 0.844 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.840 -15.258 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.194 -17.298 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.582 -16.232 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.070 -18.138 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.055 -18.536 2.011 1.00 0.00 H new ATOM 270 N GLU A 21 -12.945 -14.951 3.376 1.00 0.00 N ATOM 271 CA GLU A 21 -12.414 -13.981 4.327 1.00 0.00 C ATOM 272 C GLU A 21 -11.601 -12.906 3.611 1.00 0.00 C ATOM 273 O GLU A 21 -11.720 -11.718 3.914 1.00 0.00 O ATOM 274 CB GLU A 21 -11.543 -14.683 5.372 1.00 0.00 C ATOM 275 CG GLU A 21 -12.330 -15.565 6.326 1.00 0.00 C ATOM 276 CD GLU A 21 -12.996 -16.734 5.626 1.00 0.00 C ATOM 277 OE1 GLU A 21 -12.405 -17.264 4.662 1.00 0.00 O ATOM 278 OE2 GLU A 21 -14.110 -17.118 6.042 1.00 0.00 O ATOM 0 H GLU A 21 -12.717 -15.922 3.591 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.256 -13.503 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.796 -15.291 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.003 -13.931 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.662 -15.943 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.090 -14.965 6.826 1.00 0.00 H new ATOM 285 N PHE A 22 -10.775 -13.331 2.661 1.00 0.00 N ATOM 286 CA PHE A 22 -9.942 -12.406 1.903 1.00 0.00 C ATOM 287 C PHE A 22 -10.790 -11.317 1.252 1.00 0.00 C ATOM 288 O PHE A 22 -10.587 -10.128 1.497 1.00 0.00 O ATOM 289 CB PHE A 22 -9.151 -13.160 0.831 1.00 0.00 C ATOM 290 CG PHE A 22 -8.526 -12.260 -0.197 1.00 0.00 C ATOM 291 CD1 PHE A 22 -7.911 -11.078 0.180 1.00 0.00 C ATOM 292 CD2 PHE A 22 -8.554 -12.598 -1.540 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.336 -10.248 -0.764 1.00 0.00 C ATOM 294 CE2 PHE A 22 -7.981 -11.772 -2.489 1.00 0.00 C ATOM 295 CZ PHE A 22 -7.371 -10.596 -2.100 1.00 0.00 C ATOM 0 H PHE A 22 -10.665 -14.310 2.398 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.245 -11.934 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.369 -13.746 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.814 -13.865 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.880 -10.801 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.029 -13.517 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.860 -9.328 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.010 -12.046 -3.533 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.922 -9.949 -2.839 1.00 0.00 H new ATOM 305 N ASP A 23 -11.740 -11.733 0.422 1.00 0.00 N ATOM 306 CA ASP A 23 -12.621 -10.794 -0.263 1.00 0.00 C ATOM 307 C ASP A 23 -13.125 -9.721 0.697 1.00 0.00 C ATOM 308 O ASP A 23 -13.020 -8.526 0.421 1.00 0.00 O ATOM 309 CB ASP A 23 -13.804 -11.535 -0.888 1.00 0.00 C ATOM 310 CG ASP A 23 -14.477 -10.731 -1.984 1.00 0.00 C ATOM 311 OD1 ASP A 23 -14.972 -9.624 -1.688 1.00 0.00 O ATOM 312 OD2 ASP A 23 -14.509 -11.210 -3.137 1.00 0.00 O ATOM 0 H ASP A 23 -11.920 -12.714 0.207 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.049 -10.308 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.459 -12.484 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.533 -11.769 -0.112 1.00 0.00 H new ATOM 317 N LYS A 24 -13.676 -10.157 1.825 1.00 0.00 N ATOM 318 CA LYS A 24 -14.198 -9.235 2.828 1.00 0.00 C ATOM 319 C LYS A 24 -13.142 -8.207 3.223 1.00 0.00 C ATOM 320 O LYS A 24 -13.343 -7.004 3.059 1.00 0.00 O ATOM 321 CB LYS A 24 -14.663 -10.006 4.065 1.00 0.00 C ATOM 322 CG LYS A 24 -15.809 -9.336 4.804 1.00 0.00 C ATOM 323 CD LYS A 24 -16.672 -10.352 5.533 1.00 0.00 C ATOM 324 CE LYS A 24 -17.701 -10.979 4.605 1.00 0.00 C ATOM 325 NZ LYS A 24 -18.923 -10.137 4.483 1.00 0.00 N ATOM 0 H LYS A 24 -13.773 -11.143 2.068 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.048 -8.708 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.972 -11.007 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.821 -10.124 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.411 -8.616 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.422 -8.777 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.039 -11.132 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.180 -9.868 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.260 -11.124 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.975 -11.965 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.600 -10.598 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.358 -10.019 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.665 -9.205 4.101 1.00 0.00 H new ATOM 339 N ALA A 25 -12.019 -8.689 3.744 1.00 0.00 N ATOM 340 CA ALA A 25 -10.931 -7.812 4.159 1.00 0.00 C ATOM 341 C ALA A 25 -10.561 -6.834 3.049 1.00 0.00 C ATOM 342 O ALA A 25 -10.044 -5.748 3.312 1.00 0.00 O ATOM 343 CB ALA A 25 -9.718 -8.633 4.569 1.00 0.00 C ATOM 0 H ALA A 25 -11.839 -9.682 3.889 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.271 -7.234 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.913 -7.965 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.985 -9.286 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.385 -9.237 3.725 1.00 0.00 H new ATOM 349 N VAL A 26 -10.828 -7.226 1.808 1.00 0.00 N ATOM 350 CA VAL A 26 -10.522 -6.384 0.657 1.00 0.00 C ATOM 351 C VAL A 26 -11.604 -5.331 0.445 1.00 0.00 C ATOM 352 O VAL A 26 -11.312 -4.143 0.306 1.00 0.00 O ATOM 353 CB VAL A 26 -10.375 -7.220 -0.628 1.00 0.00 C ATOM 354 CG1 VAL A 26 -10.249 -6.315 -1.843 1.00 0.00 C ATOM 355 CG2 VAL A 26 -9.178 -8.153 -0.522 1.00 0.00 C ATOM 0 H VAL A 26 -11.256 -8.122 1.573 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.574 -5.890 0.869 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.272 -7.828 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.146 -6.924 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.140 -5.692 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.371 -5.679 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.089 -8.736 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.271 -7.566 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.315 -8.826 0.324 1.00 0.00 H new ATOM 365 N LYS A 27 -12.857 -5.775 0.420 1.00 0.00 N ATOM 366 CA LYS A 27 -13.985 -4.872 0.226 1.00 0.00 C ATOM 367 C LYS A 27 -14.175 -3.969 1.441 1.00 0.00 C ATOM 368 O LYS A 27 -15.016 -3.072 1.432 1.00 0.00 O ATOM 369 CB LYS A 27 -15.264 -5.670 -0.035 1.00 0.00 C ATOM 370 CG LYS A 27 -15.293 -6.347 -1.394 1.00 0.00 C ATOM 371 CD LYS A 27 -16.651 -6.964 -1.682 1.00 0.00 C ATOM 372 CE LYS A 27 -16.782 -7.368 -3.142 1.00 0.00 C ATOM 373 NZ LYS A 27 -18.173 -7.775 -3.483 1.00 0.00 N ATOM 0 H LYS A 27 -13.116 -6.755 0.532 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.772 -4.245 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.374 -6.427 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.122 -5.002 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.051 -5.619 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.526 -7.120 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.797 -7.838 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -17.436 -6.252 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.481 -6.535 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.101 -8.192 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -18.220 -8.043 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -18.451 -8.586 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -18.820 -6.981 -3.306 1.00 0.00 H new ATOM 387 N GLU A 28 -13.386 -4.214 2.483 1.00 0.00 N ATOM 388 CA GLU A 28 -13.468 -3.422 3.705 1.00 0.00 C ATOM 389 C GLU A 28 -12.374 -2.359 3.739 1.00 0.00 C ATOM 390 O GLU A 28 -12.485 -1.360 4.450 1.00 0.00 O ATOM 391 CB GLU A 28 -13.355 -4.326 4.934 1.00 0.00 C ATOM 392 CG GLU A 28 -14.679 -4.934 5.366 1.00 0.00 C ATOM 393 CD GLU A 28 -15.452 -4.035 6.311 1.00 0.00 C ATOM 394 OE1 GLU A 28 -15.647 -2.848 5.975 1.00 0.00 O ATOM 395 OE2 GLU A 28 -15.864 -4.519 7.386 1.00 0.00 O ATOM 0 H GLU A 28 -12.684 -4.953 2.505 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.437 -2.922 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.649 -5.128 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.942 -3.750 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.287 -5.136 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.494 -5.892 5.852 1.00 0.00 H new ATOM 402 N HIS A 29 -11.316 -2.582 2.965 1.00 0.00 N ATOM 403 CA HIS A 29 -10.201 -1.644 2.906 1.00 0.00 C ATOM 404 C HIS A 29 -10.046 -1.071 1.500 1.00 0.00 C ATOM 405 O HIS A 29 -8.958 -0.654 1.106 1.00 0.00 O ATOM 406 CB HIS A 29 -8.905 -2.333 3.333 1.00 0.00 C ATOM 407 CG HIS A 29 -8.982 -2.965 4.689 1.00 0.00 C ATOM 408 ND1 HIS A 29 -8.647 -4.209 5.106 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -9.451 -2.302 5.803 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -8.916 -4.273 6.451 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -9.400 -3.110 6.847 1.00 0.00 N flip ATOM 0 H HIS A 29 -11.208 -3.404 2.370 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.412 -0.824 3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.650 -3.097 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.096 -1.603 3.327 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -8.266 -4.959 4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.805 -1.282 5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.757 -5.135 7.082 1.00 0.00 H new ATOM 420 N GLU A 30 -11.143 -1.055 0.749 1.00 0.00 N ATOM 421 CA GLU A 30 -11.128 -0.535 -0.613 1.00 0.00 C ATOM 422 C GLU A 30 -10.624 0.905 -0.640 1.00 0.00 C ATOM 423 O GLU A 30 -9.601 1.205 -1.255 1.00 0.00 O ATOM 424 CB GLU A 30 -12.528 -0.609 -1.227 1.00 0.00 C ATOM 425 CG GLU A 30 -13.360 -1.767 -0.706 1.00 0.00 C ATOM 426 CD GLU A 30 -14.370 -2.264 -1.722 1.00 0.00 C ATOM 427 OE1 GLU A 30 -13.971 -3.021 -2.632 1.00 0.00 O ATOM 428 OE2 GLU A 30 -15.558 -1.896 -1.608 1.00 0.00 O ATOM 0 H GLU A 30 -12.052 -1.396 1.061 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.448 -1.151 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.054 0.324 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.437 -0.696 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.699 -2.587 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.883 -1.456 0.198 1.00 0.00 H new ATOM 435 N SER A 31 -11.351 1.793 0.031 1.00 0.00 N ATOM 436 CA SER A 31 -10.982 3.203 0.081 1.00 0.00 C ATOM 437 C SER A 31 -9.465 3.367 0.085 1.00 0.00 C ATOM 438 O SER A 31 -8.913 4.174 -0.663 1.00 0.00 O ATOM 439 CB SER A 31 -11.582 3.865 1.323 1.00 0.00 C ATOM 440 OG SER A 31 -11.359 5.265 1.312 1.00 0.00 O ATOM 0 H SER A 31 -12.199 1.561 0.548 1.00 0.00 H new ATOM 0 HA SER A 31 -11.380 3.690 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.653 3.664 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.141 3.430 2.220 1.00 0.00 H new ATOM 0 HG SER A 31 -11.753 5.665 2.115 1.00 0.00 H new ATOM 446 N LYS A 32 -8.795 2.595 0.935 1.00 0.00 N ATOM 447 CA LYS A 32 -7.342 2.652 1.039 1.00 0.00 C ATOM 448 C LYS A 32 -6.695 1.528 0.235 1.00 0.00 C ATOM 449 O LYS A 32 -7.367 0.587 -0.189 1.00 0.00 O ATOM 450 CB LYS A 32 -6.911 2.559 2.504 1.00 0.00 C ATOM 451 CG LYS A 32 -7.573 3.591 3.400 1.00 0.00 C ATOM 452 CD LYS A 32 -8.862 3.059 4.005 1.00 0.00 C ATOM 453 CE LYS A 32 -9.545 4.107 4.871 1.00 0.00 C ATOM 454 NZ LYS A 32 -8.963 4.160 6.240 1.00 0.00 N ATOM 0 H LYS A 32 -9.236 1.922 1.562 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.010 3.606 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.143 1.562 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.829 2.679 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.886 3.876 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.785 4.492 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.538 2.747 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.646 2.175 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.452 5.085 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.610 3.885 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.455 4.886 6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.074 3.234 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.952 4.397 6.179 1.00 0.00 H new ATOM 468 N THR A 33 -5.386 1.632 0.029 1.00 0.00 N ATOM 469 CA THR A 33 -4.648 0.625 -0.723 1.00 0.00 C ATOM 470 C THR A 33 -4.695 -0.728 -0.023 1.00 0.00 C ATOM 471 O THR A 33 -4.742 -0.800 1.205 1.00 0.00 O ATOM 472 CB THR A 33 -3.177 1.037 -0.921 1.00 0.00 C ATOM 473 OG1 THR A 33 -3.100 2.177 -1.784 1.00 0.00 O ATOM 474 CG2 THR A 33 -2.369 -0.108 -1.512 1.00 0.00 C ATOM 0 H THR A 33 -4.815 2.404 0.373 1.00 0.00 H new ATOM 0 HA THR A 33 -5.129 0.544 -1.698 1.00 0.00 H new ATOM 0 HB THR A 33 -2.759 1.290 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.162 2.434 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.334 0.207 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.406 -0.965 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.788 -0.388 -2.479 1.00 0.00 H new ATOM 482 N ILE A 34 -4.682 -1.798 -0.811 1.00 0.00 N ATOM 483 CA ILE A 34 -4.721 -3.149 -0.266 1.00 0.00 C ATOM 484 C ILE A 34 -3.655 -4.031 -0.905 1.00 0.00 C ATOM 485 O ILE A 34 -3.325 -3.872 -2.081 1.00 0.00 O ATOM 486 CB ILE A 34 -6.102 -3.799 -0.473 1.00 0.00 C ATOM 487 CG1 ILE A 34 -7.192 -2.957 0.192 1.00 0.00 C ATOM 488 CG2 ILE A 34 -6.108 -5.216 0.082 1.00 0.00 C ATOM 489 CD1 ILE A 34 -8.586 -3.275 -0.300 1.00 0.00 C ATOM 0 H ILE A 34 -4.645 -1.755 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.525 -3.064 0.803 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.308 -3.846 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.152 -3.112 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.984 -1.902 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.090 -5.663 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.354 -5.812 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.884 -5.190 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.307 -2.640 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.643 -3.093 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.814 -4.321 -0.097 1.00 0.00 H new ATOM 501 N PHE A 35 -3.119 -4.963 -0.124 1.00 0.00 N ATOM 502 CA PHE A 35 -2.090 -5.872 -0.614 1.00 0.00 C ATOM 503 C PHE A 35 -2.357 -7.300 -0.146 1.00 0.00 C ATOM 504 O PHE A 35 -2.282 -7.598 1.046 1.00 0.00 O ATOM 505 CB PHE A 35 -0.709 -5.418 -0.137 1.00 0.00 C ATOM 506 CG PHE A 35 -0.262 -4.119 -0.746 1.00 0.00 C ATOM 507 CD1 PHE A 35 0.300 -4.089 -2.012 1.00 0.00 C ATOM 508 CD2 PHE A 35 -0.403 -2.929 -0.051 1.00 0.00 C ATOM 509 CE1 PHE A 35 0.712 -2.896 -2.574 1.00 0.00 C ATOM 510 CE2 PHE A 35 0.007 -1.732 -0.608 1.00 0.00 C ATOM 511 CZ PHE A 35 0.565 -1.716 -1.872 1.00 0.00 C ATOM 0 H PHE A 35 -3.380 -5.108 0.851 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.115 -5.854 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.724 -5.315 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.021 -6.192 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.417 -5.009 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.838 -2.936 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.149 -2.886 -3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.109 -0.811 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.886 -0.782 -2.310 1.00 0.00 H new ATOM 521 N ALA A 36 -2.670 -8.178 -1.093 1.00 0.00 N ATOM 522 CA ALA A 36 -2.948 -9.574 -0.779 1.00 0.00 C ATOM 523 C ALA A 36 -1.708 -10.438 -0.978 1.00 0.00 C ATOM 524 O ALA A 36 -1.136 -10.480 -2.068 1.00 0.00 O ATOM 525 CB ALA A 36 -4.096 -10.089 -1.634 1.00 0.00 C ATOM 0 H ALA A 36 -2.737 -7.947 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.236 -9.635 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.293 -11.133 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.989 -9.496 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.830 -10.008 -2.688 1.00 0.00 H new ATOM 531 N TYR A 37 -1.296 -11.127 0.081 1.00 0.00 N ATOM 532 CA TYR A 37 -0.121 -11.988 0.023 1.00 0.00 C ATOM 533 C TYR A 37 -0.526 -13.458 -0.039 1.00 0.00 C ATOM 534 O TYR A 37 -0.540 -14.153 0.977 1.00 0.00 O ATOM 535 CB TYR A 37 0.776 -11.745 1.237 1.00 0.00 C ATOM 536 CG TYR A 37 2.099 -12.475 1.169 1.00 0.00 C ATOM 537 CD1 TYR A 37 2.941 -12.325 0.074 1.00 0.00 C ATOM 538 CD2 TYR A 37 2.506 -13.314 2.198 1.00 0.00 C ATOM 539 CE1 TYR A 37 4.150 -12.990 0.006 1.00 0.00 C ATOM 540 CE2 TYR A 37 3.714 -13.982 2.140 1.00 0.00 C ATOM 541 CZ TYR A 37 4.533 -13.816 1.042 1.00 0.00 C ATOM 542 OH TYR A 37 5.736 -14.481 0.979 1.00 0.00 O ATOM 0 H TYR A 37 -1.759 -11.106 0.990 1.00 0.00 H new ATOM 0 HA TYR A 37 0.433 -11.744 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.965 -10.676 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.246 -12.055 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.645 -11.677 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.867 -13.447 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.792 -12.864 -0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.016 -14.630 2.949 1.00 0.00 H new ATOM 0 HH TYR A 37 5.855 -15.020 1.789 1.00 0.00 H new ATOM 552 N PHE A 38 -0.854 -13.925 -1.239 1.00 0.00 N ATOM 553 CA PHE A 38 -1.259 -15.312 -1.436 1.00 0.00 C ATOM 554 C PHE A 38 -0.065 -16.252 -1.299 1.00 0.00 C ATOM 555 O PHE A 38 0.813 -16.288 -2.161 1.00 0.00 O ATOM 556 CB PHE A 38 -1.905 -15.486 -2.812 1.00 0.00 C ATOM 557 CG PHE A 38 -2.906 -14.417 -3.145 1.00 0.00 C ATOM 558 CD1 PHE A 38 -4.100 -14.327 -2.449 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.651 -13.502 -4.154 1.00 0.00 C ATOM 560 CE1 PHE A 38 -5.023 -13.343 -2.752 1.00 0.00 C ATOM 561 CE2 PHE A 38 -3.570 -12.516 -4.461 1.00 0.00 C ATOM 562 CZ PHE A 38 -4.758 -12.438 -3.761 1.00 0.00 C ATOM 0 H PHE A 38 -0.847 -13.363 -2.090 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.988 -15.565 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.124 -15.491 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.396 -16.458 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.313 -15.034 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.725 -13.560 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.950 -13.282 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.359 -11.807 -5.248 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.479 -11.671 -4.002 1.00 0.00 H new ATOM 572 N SER A 39 -0.040 -17.011 -0.208 1.00 0.00 N ATOM 573 CA SER A 39 1.048 -17.949 0.046 1.00 0.00 C ATOM 574 C SER A 39 0.526 -19.218 0.713 1.00 0.00 C ATOM 575 O SER A 39 -0.638 -19.295 1.102 1.00 0.00 O ATOM 576 CB SER A 39 2.116 -17.298 0.926 1.00 0.00 C ATOM 577 OG SER A 39 2.368 -15.964 0.520 1.00 0.00 O ATOM 0 H SER A 39 -0.760 -16.995 0.514 1.00 0.00 H new ATOM 0 HA SER A 39 1.493 -18.220 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.791 -17.310 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.038 -17.878 0.874 1.00 0.00 H new ATOM 0 HG SER A 39 3.169 -15.629 0.975 1.00 0.00 H new ATOM 583 N GLY A 40 1.399 -20.213 0.842 1.00 0.00 N ATOM 584 CA GLY A 40 1.010 -21.466 1.463 1.00 0.00 C ATOM 585 C GLY A 40 0.815 -21.335 2.960 1.00 0.00 C ATOM 586 O GLY A 40 1.507 -20.558 3.618 1.00 0.00 O ATOM 0 H GLY A 40 2.369 -20.174 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.085 -21.821 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.773 -22.219 1.264 1.00 0.00 H new ATOM 590 N SER A 41 -0.131 -22.096 3.501 1.00 0.00 N ATOM 591 CA SER A 41 -0.419 -22.058 4.930 1.00 0.00 C ATOM 592 C SER A 41 0.830 -22.385 5.745 1.00 0.00 C ATOM 593 O SER A 41 1.842 -22.828 5.202 1.00 0.00 O ATOM 594 CB SER A 41 -1.537 -23.044 5.273 1.00 0.00 C ATOM 595 OG SER A 41 -1.091 -24.383 5.155 1.00 0.00 O ATOM 0 H SER A 41 -0.711 -22.746 2.971 1.00 0.00 H new ATOM 0 HA SER A 41 -0.744 -21.049 5.183 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.887 -22.862 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.386 -22.881 4.609 1.00 0.00 H new ATOM 0 HG SER A 41 -1.617 -24.844 4.468 1.00 0.00 H new ATOM 601 N LYS A 42 0.750 -22.162 7.052 1.00 0.00 N ATOM 602 CA LYS A 42 1.871 -22.433 7.945 1.00 0.00 C ATOM 603 C LYS A 42 1.964 -23.921 8.265 1.00 0.00 C ATOM 604 O LYS A 42 1.082 -24.700 7.903 1.00 0.00 O ATOM 605 CB LYS A 42 1.725 -21.629 9.239 1.00 0.00 C ATOM 606 CG LYS A 42 1.533 -20.140 9.012 1.00 0.00 C ATOM 607 CD LYS A 42 1.794 -19.344 10.280 1.00 0.00 C ATOM 608 CE LYS A 42 0.609 -19.409 11.232 1.00 0.00 C ATOM 609 NZ LYS A 42 0.507 -18.185 12.074 1.00 0.00 N ATOM 0 H LYS A 42 -0.080 -21.794 7.517 1.00 0.00 H new ATOM 0 HA LYS A 42 2.788 -22.131 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.875 -22.015 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.612 -21.783 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.206 -19.802 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.517 -19.952 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.683 -19.731 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.999 -18.305 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.310 -19.534 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.706 -20.284 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.312 -18.268 12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.374 -18.079 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.389 -17.352 11.463 1.00 0.00 H new ATOM 693 N SER A 48 5.584 -21.563 6.439 1.00 0.00 N ATOM 694 CA SER A 48 5.025 -22.092 5.201 1.00 0.00 C ATOM 695 C SER A 48 5.846 -23.274 4.695 1.00 0.00 C ATOM 696 O SER A 48 7.046 -23.367 4.955 1.00 0.00 O ATOM 697 CB SER A 48 4.972 -20.998 4.133 1.00 0.00 C ATOM 698 OG SER A 48 6.261 -20.742 3.601 1.00 0.00 O ATOM 0 HA SER A 48 4.012 -22.438 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.298 -21.300 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.565 -20.084 4.564 1.00 0.00 H new ATOM 0 HG SER A 48 6.337 -19.793 3.369 1.00 0.00 H new ATOM 704 N TRP A 49 5.191 -24.174 3.971 1.00 0.00 N ATOM 705 CA TRP A 49 5.860 -25.351 3.428 1.00 0.00 C ATOM 706 C TRP A 49 6.977 -24.949 2.471 1.00 0.00 C ATOM 707 O TRP A 49 8.032 -25.584 2.433 1.00 0.00 O ATOM 708 CB TRP A 49 4.852 -26.248 2.707 1.00 0.00 C ATOM 709 CG TRP A 49 3.768 -25.484 2.010 1.00 0.00 C ATOM 710 CD1 TRP A 49 2.549 -25.140 2.522 1.00 0.00 C ATOM 711 CD2 TRP A 49 3.804 -24.970 0.675 1.00 0.00 C ATOM 712 NE1 TRP A 49 1.825 -24.444 1.584 1.00 0.00 N ATOM 713 CE2 TRP A 49 2.573 -24.325 0.443 1.00 0.00 C ATOM 714 CE3 TRP A 49 4.757 -24.989 -0.348 1.00 0.00 C ATOM 715 CZ2 TRP A 49 2.273 -23.708 -0.769 1.00 0.00 C ATOM 716 CZ3 TRP A 49 4.457 -24.377 -1.550 1.00 0.00 C ATOM 717 CH2 TRP A 49 3.224 -23.743 -1.752 1.00 0.00 C ATOM 0 H TRP A 49 4.198 -24.112 3.746 1.00 0.00 H new ATOM 0 HA TRP A 49 6.300 -25.904 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.380 -26.862 1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.400 -26.928 3.429 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.205 -25.380 3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.883 -24.076 1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.711 -25.474 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.323 -23.219 -0.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.185 -24.388 -2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.020 -23.273 -2.703 1.00 0.00 H new ATOM 728 N CYS A 50 6.739 -23.893 1.701 1.00 0.00 N ATOM 729 CA CYS A 50 7.726 -23.408 0.743 1.00 0.00 C ATOM 730 C CYS A 50 8.799 -22.578 1.441 1.00 0.00 C ATOM 731 O CYS A 50 8.514 -21.759 2.315 1.00 0.00 O ATOM 732 CB CYS A 50 7.046 -22.573 -0.343 1.00 0.00 C ATOM 733 SG CYS A 50 8.196 -21.753 -1.473 1.00 0.00 S ATOM 0 H CYS A 50 5.872 -23.357 1.721 1.00 0.00 H new ATOM 0 HA CYS A 50 8.203 -24.273 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.384 -23.218 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.420 -21.818 0.133 1.00 0.00 H new ATOM 0 HG CYS A 50 7.526 -21.074 -2.356 1.00 0.00 H new ATOM 739 N PRO A 51 10.064 -22.796 1.050 1.00 0.00 N ATOM 740 CA PRO A 51 11.205 -22.079 1.626 1.00 0.00 C ATOM 741 C PRO A 51 11.229 -20.608 1.223 1.00 0.00 C ATOM 742 O PRO A 51 11.355 -19.724 2.071 1.00 0.00 O ATOM 743 CB PRO A 51 12.415 -22.813 1.044 1.00 0.00 C ATOM 744 CG PRO A 51 11.920 -23.413 -0.226 1.00 0.00 C ATOM 745 CD PRO A 51 10.476 -23.757 0.014 1.00 0.00 C ATOM 0 HA PRO A 51 11.176 -22.074 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.243 -22.128 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.780 -23.579 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.022 -22.712 -1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.495 -24.301 -0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.881 -23.650 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.359 -24.787 0.352 1.00 0.00 H new ATOM 753 N ASP A 52 11.109 -20.353 -0.075 1.00 0.00 N ATOM 754 CA ASP A 52 11.115 -18.989 -0.590 1.00 0.00 C ATOM 755 C ASP A 52 10.141 -18.110 0.187 1.00 0.00 C ATOM 756 O ASP A 52 10.512 -17.049 0.690 1.00 0.00 O ATOM 757 CB ASP A 52 10.755 -18.981 -2.077 1.00 0.00 C ATOM 758 CG ASP A 52 11.949 -19.275 -2.963 1.00 0.00 C ATOM 759 OD1 ASP A 52 12.942 -18.519 -2.892 1.00 0.00 O ATOM 760 OD2 ASP A 52 11.892 -20.260 -3.728 1.00 0.00 O ATOM 0 H ASP A 52 11.006 -21.073 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 52 12.119 -18.584 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.977 -19.721 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.340 -18.009 -2.342 1.00 0.00 H new ATOM 765 N CYS A 53 8.894 -18.558 0.281 1.00 0.00 N ATOM 766 CA CYS A 53 7.865 -17.811 0.996 1.00 0.00 C ATOM 767 C CYS A 53 8.360 -17.385 2.374 1.00 0.00 C ATOM 768 O CYS A 53 8.263 -16.216 2.746 1.00 0.00 O ATOM 769 CB CYS A 53 6.597 -18.654 1.134 1.00 0.00 C ATOM 770 SG CYS A 53 5.531 -18.165 2.510 1.00 0.00 S ATOM 0 H CYS A 53 8.571 -19.434 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 53 7.636 -16.915 0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 53 6.028 -18.589 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.880 -19.699 1.262 1.00 0.00 H new ATOM 0 HG CYS A 53 4.393 -18.787 2.420 1.00 0.00 H new ATOM 776 N VAL A 54 8.890 -18.343 3.128 1.00 0.00 N ATOM 777 CA VAL A 54 9.401 -18.068 4.466 1.00 0.00 C ATOM 778 C VAL A 54 10.523 -17.037 4.425 1.00 0.00 C ATOM 779 O VAL A 54 10.754 -16.317 5.396 1.00 0.00 O ATOM 780 CB VAL A 54 9.920 -19.350 5.143 1.00 0.00 C ATOM 781 CG1 VAL A 54 10.584 -19.021 6.472 1.00 0.00 C ATOM 782 CG2 VAL A 54 8.788 -20.347 5.335 1.00 0.00 C ATOM 0 H VAL A 54 8.977 -19.316 2.835 1.00 0.00 H new ATOM 0 HA VAL A 54 8.569 -17.671 5.047 1.00 0.00 H new ATOM 0 HB VAL A 54 10.668 -19.806 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.944 -19.939 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.423 -18.346 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.861 -18.541 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.173 -21.247 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.015 -19.904 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.363 -20.606 4.365 1.00 0.00 H new ATOM 792 N GLU A 55 11.218 -16.972 3.293 1.00 0.00 N ATOM 793 CA GLU A 55 12.317 -16.028 3.126 1.00 0.00 C ATOM 794 C GLU A 55 11.819 -14.710 2.542 1.00 0.00 C ATOM 795 O GLU A 55 12.473 -13.675 2.670 1.00 0.00 O ATOM 796 CB GLU A 55 13.397 -16.624 2.221 1.00 0.00 C ATOM 797 CG GLU A 55 14.614 -15.729 2.053 1.00 0.00 C ATOM 798 CD GLU A 55 15.817 -16.475 1.510 1.00 0.00 C ATOM 799 OE1 GLU A 55 15.630 -17.341 0.629 1.00 0.00 O ATOM 800 OE2 GLU A 55 16.945 -16.192 1.965 1.00 0.00 O ATOM 0 H GLU A 55 11.040 -17.561 2.479 1.00 0.00 H new ATOM 0 HA GLU A 55 12.745 -15.831 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.715 -17.582 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.966 -16.825 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.366 -14.908 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.870 -15.286 3.015 1.00 0.00 H new ATOM 807 N ALA A 56 10.656 -14.756 1.900 1.00 0.00 N ATOM 808 CA ALA A 56 10.069 -13.566 1.296 1.00 0.00 C ATOM 809 C ALA A 56 9.192 -12.820 2.296 1.00 0.00 C ATOM 810 O ALA A 56 9.043 -11.602 2.216 1.00 0.00 O ATOM 811 CB ALA A 56 9.263 -13.943 0.062 1.00 0.00 C ATOM 0 H ALA A 56 10.102 -15.605 1.785 1.00 0.00 H new ATOM 0 HA ALA A 56 10.880 -12.902 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.831 -13.045 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.916 -14.426 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.464 -14.629 0.345 1.00 0.00 H new ATOM 817 N GLU A 57 8.612 -13.561 3.236 1.00 0.00 N ATOM 818 CA GLU A 57 7.748 -12.968 4.250 1.00 0.00 C ATOM 819 C GLU A 57 8.420 -11.762 4.900 1.00 0.00 C ATOM 820 O GLU A 57 7.856 -10.671 4.977 1.00 0.00 O ATOM 821 CB GLU A 57 7.392 -14.004 5.318 1.00 0.00 C ATOM 822 CG GLU A 57 5.968 -13.881 5.834 1.00 0.00 C ATOM 823 CD GLU A 57 5.757 -12.636 6.673 1.00 0.00 C ATOM 824 OE1 GLU A 57 6.532 -12.426 7.629 1.00 0.00 O ATOM 825 OE2 GLU A 57 4.816 -11.872 6.373 1.00 0.00 O ATOM 0 H GLU A 57 8.725 -14.572 3.316 1.00 0.00 H new ATOM 0 HA GLU A 57 6.834 -12.633 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.535 -15.003 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.083 -13.903 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.279 -13.866 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.724 -14.761 6.429 1.00 0.00 H new ATOM 832 N PRO A 58 9.657 -11.962 5.381 1.00 0.00 N ATOM 833 CA PRO A 58 10.433 -10.904 6.033 1.00 0.00 C ATOM 834 C PRO A 58 10.884 -9.827 5.052 1.00 0.00 C ATOM 835 O PRO A 58 11.331 -8.753 5.456 1.00 0.00 O ATOM 836 CB PRO A 58 11.644 -11.650 6.600 1.00 0.00 C ATOM 837 CG PRO A 58 11.786 -12.854 5.734 1.00 0.00 C ATOM 838 CD PRO A 58 10.391 -13.237 5.324 1.00 0.00 C ATOM 0 HA PRO A 58 9.848 -10.376 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.541 -11.031 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.486 -11.928 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.403 -12.637 4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.271 -13.667 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.370 -13.668 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.963 -13.978 5.999 1.00 0.00 H new ATOM 846 N VAL A 59 10.762 -10.120 3.762 1.00 0.00 N ATOM 847 CA VAL A 59 11.155 -9.176 2.723 1.00 0.00 C ATOM 848 C VAL A 59 9.981 -8.296 2.307 1.00 0.00 C ATOM 849 O VAL A 59 10.170 -7.185 1.811 1.00 0.00 O ATOM 850 CB VAL A 59 11.702 -9.903 1.480 1.00 0.00 C ATOM 851 CG1 VAL A 59 12.225 -8.902 0.462 1.00 0.00 C ATOM 852 CG2 VAL A 59 12.790 -10.890 1.877 1.00 0.00 C ATOM 0 H VAL A 59 10.394 -11.004 3.411 1.00 0.00 H new ATOM 0 HA VAL A 59 11.942 -8.552 3.145 1.00 0.00 H new ATOM 0 HB VAL A 59 10.887 -10.461 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.607 -9.435 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.416 -8.239 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.027 -8.314 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.166 -11.395 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.606 -10.356 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.378 -11.627 2.566 1.00 0.00 H new ATOM 862 N ILE A 60 8.769 -8.800 2.513 1.00 0.00 N ATOM 863 CA ILE A 60 7.564 -8.059 2.161 1.00 0.00 C ATOM 864 C ILE A 60 7.026 -7.283 3.359 1.00 0.00 C ATOM 865 O ILE A 60 6.512 -6.175 3.212 1.00 0.00 O ATOM 866 CB ILE A 60 6.461 -8.996 1.634 1.00 0.00 C ATOM 867 CG1 ILE A 60 6.979 -9.810 0.446 1.00 0.00 C ATOM 868 CG2 ILE A 60 5.230 -8.195 1.238 1.00 0.00 C ATOM 869 CD1 ILE A 60 5.908 -10.635 -0.234 1.00 0.00 C ATOM 0 H ILE A 60 8.595 -9.718 2.922 1.00 0.00 H new ATOM 0 HA ILE A 60 7.843 -7.359 1.373 1.00 0.00 H new ATOM 0 HB ILE A 60 6.180 -9.687 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.422 -9.132 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.774 -10.472 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.460 -8.871 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.852 -7.655 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.495 -7.484 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.346 -11.185 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.481 -11.338 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.124 -9.977 -0.607 1.00 0.00 H new ATOM 881 N ARG A 61 7.151 -7.873 4.543 1.00 0.00 N ATOM 882 CA ARG A 61 6.678 -7.237 5.767 1.00 0.00 C ATOM 883 C ARG A 61 7.549 -6.038 6.128 1.00 0.00 C ATOM 884 O ARG A 61 7.069 -5.060 6.700 1.00 0.00 O ATOM 885 CB ARG A 61 6.672 -8.242 6.920 1.00 0.00 C ATOM 886 CG ARG A 61 5.662 -7.914 8.008 1.00 0.00 C ATOM 887 CD ARG A 61 5.199 -9.168 8.733 1.00 0.00 C ATOM 888 NE ARG A 61 4.825 -8.892 10.118 1.00 0.00 N ATOM 889 CZ ARG A 61 5.701 -8.593 11.070 1.00 0.00 C ATOM 890 NH1 ARG A 61 6.996 -8.530 10.789 1.00 0.00 N ATOM 891 NH2 ARG A 61 5.284 -8.355 12.307 1.00 0.00 N ATOM 0 H ARG A 61 7.576 -8.790 4.681 1.00 0.00 H new ATOM 0 HA ARG A 61 5.660 -6.886 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.458 -9.235 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.668 -8.283 7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.107 -7.222 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.803 -7.408 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.347 -9.598 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.995 -9.913 8.714 1.00 0.00 H new ATOM 0 HE ARG A 61 3.837 -8.931 10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.321 -8.711 9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.666 -8.300 11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.289 -8.402 12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.958 -8.125 13.037 1.00 0.00 H new ATOM 905 N GLU A 62 8.832 -6.122 5.790 1.00 0.00 N ATOM 906 CA GLU A 62 9.770 -5.044 6.080 1.00 0.00 C ATOM 907 C GLU A 62 9.473 -3.818 5.221 1.00 0.00 C ATOM 908 O GLU A 62 9.212 -2.732 5.738 1.00 0.00 O ATOM 909 CB GLU A 62 11.208 -5.510 5.842 1.00 0.00 C ATOM 910 CG GLU A 62 11.743 -6.415 6.939 1.00 0.00 C ATOM 911 CD GLU A 62 12.414 -5.642 8.057 1.00 0.00 C ATOM 912 OE1 GLU A 62 12.012 -4.486 8.304 1.00 0.00 O ATOM 913 OE2 GLU A 62 13.341 -6.194 8.687 1.00 0.00 O ATOM 0 H GLU A 62 9.245 -6.925 5.315 1.00 0.00 H new ATOM 0 HA GLU A 62 9.654 -4.769 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.257 -6.039 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.855 -4.637 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.924 -7.004 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.457 -7.118 6.509 1.00 0.00 H new ATOM 920 N GLY A 63 9.516 -4.000 3.904 1.00 0.00 N ATOM 921 CA GLY A 63 9.250 -2.902 2.994 1.00 0.00 C ATOM 922 C GLY A 63 7.891 -2.271 3.228 1.00 0.00 C ATOM 923 O GLY A 63 7.687 -1.092 2.934 1.00 0.00 O ATOM 0 H GLY A 63 9.730 -4.889 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.024 -2.143 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.308 -3.263 1.967 1.00 0.00 H new ATOM 927 N LEU A 64 6.959 -3.056 3.756 1.00 0.00 N ATOM 928 CA LEU A 64 5.612 -2.568 4.027 1.00 0.00 C ATOM 929 C LEU A 64 5.630 -1.491 5.107 1.00 0.00 C ATOM 930 O LEU A 64 4.745 -0.637 5.162 1.00 0.00 O ATOM 931 CB LEU A 64 4.707 -3.724 4.459 1.00 0.00 C ATOM 932 CG LEU A 64 3.967 -4.452 3.336 1.00 0.00 C ATOM 933 CD1 LEU A 64 3.435 -5.790 3.827 1.00 0.00 C ATOM 934 CD2 LEU A 64 2.834 -3.591 2.797 1.00 0.00 C ATOM 0 H LEU A 64 7.111 -4.033 4.005 1.00 0.00 H new ATOM 0 HA LEU A 64 5.219 -2.130 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.313 -4.451 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.969 -3.338 5.163 1.00 0.00 H new ATOM 0 HG LEU A 64 4.671 -4.639 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.911 -6.294 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.266 -6.411 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.746 -5.626 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.319 -4.125 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.130 -3.372 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.240 -2.658 2.406 1.00 0.00 H new ATOM 946 N LYS A 65 6.645 -1.536 5.963 1.00 0.00 N ATOM 947 CA LYS A 65 6.782 -0.563 7.040 1.00 0.00 C ATOM 948 C LYS A 65 7.224 0.792 6.496 1.00 0.00 C ATOM 949 O LYS A 65 6.890 1.836 7.057 1.00 0.00 O ATOM 950 CB LYS A 65 7.788 -1.060 8.080 1.00 0.00 C ATOM 951 CG LYS A 65 7.172 -1.946 9.149 1.00 0.00 C ATOM 952 CD LYS A 65 6.706 -1.133 10.345 1.00 0.00 C ATOM 953 CE LYS A 65 7.875 -0.714 11.224 1.00 0.00 C ATOM 954 NZ LYS A 65 8.302 -1.809 12.138 1.00 0.00 N ATOM 0 H LYS A 65 7.386 -2.237 5.932 1.00 0.00 H new ATOM 0 HA LYS A 65 5.808 -0.444 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.578 -1.613 7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.257 -0.200 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.328 -2.493 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.902 -2.687 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.174 -0.247 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.000 -1.720 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.714 -0.418 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.593 0.160 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.100 -1.484 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.509 -2.075 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.596 -2.634 11.578 1.00 0.00 H new ATOM 968 N HIS A 66 7.975 0.768 5.400 1.00 0.00 N ATOM 969 CA HIS A 66 8.461 1.995 4.779 1.00 0.00 C ATOM 970 C HIS A 66 7.522 2.449 3.666 1.00 0.00 C ATOM 971 O HIS A 66 7.928 3.165 2.750 1.00 0.00 O ATOM 972 CB HIS A 66 9.869 1.786 4.221 1.00 0.00 C ATOM 973 CG HIS A 66 10.840 1.253 5.229 1.00 0.00 C ATOM 974 ND1 HIS A 66 11.782 2.040 5.856 1.00 0.00 N ATOM 975 CD2 HIS A 66 11.011 0.002 5.718 1.00 0.00 C ATOM 976 CE1 HIS A 66 12.491 1.297 6.687 1.00 0.00 C ATOM 977 NE2 HIS A 66 12.043 0.056 6.623 1.00 0.00 N ATOM 0 H HIS A 66 8.260 -0.087 4.923 1.00 0.00 H new ATOM 0 HA HIS A 66 8.493 2.772 5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.818 1.097 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.242 2.735 3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.442 -0.875 5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.300 1.645 7.313 1.00 0.00 H new ATOM 0 HE2 HIS A 66 12.404 -0.733 7.158 1.00 0.00 H new ATOM 986 N VAL A 67 6.264 2.027 3.750 1.00 0.00 N ATOM 987 CA VAL A 67 5.267 2.391 2.750 1.00 0.00 C ATOM 988 C VAL A 67 4.893 3.865 2.858 1.00 0.00 C ATOM 989 O VAL A 67 4.716 4.393 3.956 1.00 0.00 O ATOM 990 CB VAL A 67 3.993 1.537 2.892 1.00 0.00 C ATOM 991 CG1 VAL A 67 3.304 1.822 4.217 1.00 0.00 C ATOM 992 CG2 VAL A 67 3.050 1.790 1.725 1.00 0.00 C ATOM 0 H VAL A 67 5.911 1.433 4.500 1.00 0.00 H new ATOM 0 HA VAL A 67 5.714 2.204 1.774 1.00 0.00 H new ATOM 0 HB VAL A 67 4.278 0.485 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.406 1.210 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.981 1.585 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.030 2.876 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.155 1.179 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.770 2.843 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.549 1.530 0.791 1.00 0.00 H new ATOM 1002 N THR A 68 4.773 4.525 1.711 1.00 0.00 N ATOM 1003 CA THR A 68 4.420 5.938 1.675 1.00 0.00 C ATOM 1004 C THR A 68 2.951 6.129 1.314 1.00 0.00 C ATOM 1005 O THR A 68 2.580 7.126 0.696 1.00 0.00 O ATOM 1006 CB THR A 68 5.290 6.709 0.665 1.00 0.00 C ATOM 1007 OG1 THR A 68 5.011 6.259 -0.666 1.00 0.00 O ATOM 1008 CG2 THR A 68 6.768 6.522 0.970 1.00 0.00 C ATOM 0 H THR A 68 4.915 4.103 0.793 1.00 0.00 H new ATOM 0 HA THR A 68 4.600 6.334 2.674 1.00 0.00 H new ATOM 0 HB THR A 68 5.050 7.769 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.567 6.755 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.362 7.076 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.982 6.893 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.020 5.463 0.913 1.00 0.00 H new ATOM 1016 N GLU A 69 2.120 5.168 1.705 1.00 0.00 N ATOM 1017 CA GLU A 69 0.691 5.232 1.421 1.00 0.00 C ATOM 1018 C GLU A 69 -0.095 4.351 2.388 1.00 0.00 C ATOM 1019 O GLU A 69 0.126 3.143 2.463 1.00 0.00 O ATOM 1020 CB GLU A 69 0.415 4.800 -0.020 1.00 0.00 C ATOM 1021 CG GLU A 69 0.801 3.358 -0.308 1.00 0.00 C ATOM 1022 CD GLU A 69 0.799 3.038 -1.790 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.341 3.848 -2.572 1.00 0.00 O ATOM 1024 OE2 GLU A 69 0.256 1.980 -2.168 1.00 0.00 O ATOM 0 H GLU A 69 2.411 4.336 2.219 1.00 0.00 H new ATOM 0 HA GLU A 69 0.366 6.264 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.646 4.933 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.961 5.456 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.792 3.163 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.108 2.691 0.205 1.00 0.00 H new ATOM 1031 N ASP A 70 -1.013 4.966 3.125 1.00 0.00 N ATOM 1032 CA ASP A 70 -1.834 4.239 4.087 1.00 0.00 C ATOM 1033 C ASP A 70 -2.541 3.064 3.419 1.00 0.00 C ATOM 1034 O ASP A 70 -3.590 3.231 2.796 1.00 0.00 O ATOM 1035 CB ASP A 70 -2.863 5.176 4.722 1.00 0.00 C ATOM 1036 CG ASP A 70 -3.502 6.106 3.710 1.00 0.00 C ATOM 1037 OD1 ASP A 70 -2.845 7.092 3.313 1.00 0.00 O ATOM 1038 OD2 ASP A 70 -4.658 5.849 3.315 1.00 0.00 O ATOM 0 H ASP A 70 -1.208 5.966 3.075 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.179 3.850 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.639 4.584 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.380 5.767 5.500 1.00 0.00 H new ATOM 1043 N CYS A 71 -1.960 1.877 3.553 1.00 0.00 N ATOM 1044 CA CYS A 71 -2.533 0.674 2.961 1.00 0.00 C ATOM 1045 C CYS A 71 -2.820 -0.375 4.031 1.00 0.00 C ATOM 1046 O CYS A 71 -2.459 -0.204 5.195 1.00 0.00 O ATOM 1047 CB CYS A 71 -1.587 0.098 1.907 1.00 0.00 C ATOM 1048 SG CYS A 71 -0.140 -0.741 2.593 1.00 0.00 S ATOM 0 H CYS A 71 -1.092 1.722 4.066 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.474 0.947 2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.140 -0.605 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.251 0.905 1.256 1.00 0.00 H new ATOM 0 HG CYS A 71 0.352 -1.554 1.706 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.475 -1.459 3.629 1.00 0.00 N ATOM 1055 CA VAL A 72 -3.812 -2.536 4.553 1.00 0.00 C ATOM 1056 C VAL A 72 -3.339 -3.884 4.022 1.00 0.00 C ATOM 1057 O VAL A 72 -3.965 -4.470 3.138 1.00 0.00 O ATOM 1058 CB VAL A 72 -5.329 -2.601 4.809 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -5.652 -3.676 5.836 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -5.851 -1.246 5.262 1.00 0.00 C ATOM 0 H VAL A 72 -3.783 -1.615 2.669 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.301 -2.319 5.491 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.826 -2.863 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.729 -3.707 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.314 -4.645 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.145 -3.448 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.925 -1.310 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.349 -0.952 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.654 -0.503 4.489 1.00 0.00 H new ATOM 1070 N PHE A 73 -2.229 -4.372 4.566 1.00 0.00 N ATOM 1071 CA PHE A 73 -1.671 -5.652 4.147 1.00 0.00 C ATOM 1072 C PHE A 73 -2.584 -6.804 4.556 1.00 0.00 C ATOM 1073 O PHE A 73 -3.171 -6.790 5.638 1.00 0.00 O ATOM 1074 CB PHE A 73 -0.280 -5.850 4.754 1.00 0.00 C ATOM 1075 CG PHE A 73 0.441 -7.054 4.221 1.00 0.00 C ATOM 1076 CD1 PHE A 73 0.801 -7.128 2.885 1.00 0.00 C ATOM 1077 CD2 PHE A 73 0.760 -8.113 5.056 1.00 0.00 C ATOM 1078 CE1 PHE A 73 1.464 -8.235 2.392 1.00 0.00 C ATOM 1079 CE2 PHE A 73 1.424 -9.223 4.569 1.00 0.00 C ATOM 1080 CZ PHE A 73 1.777 -9.284 3.235 1.00 0.00 C ATOM 0 H PHE A 73 -1.698 -3.900 5.298 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.588 -5.645 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.321 -4.962 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.374 -5.943 5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.560 -6.311 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.486 -8.070 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.738 -8.281 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.667 -10.042 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.297 -10.150 2.852 1.00 0.00 H new ATOM 1090 N ILE A 74 -2.699 -7.799 3.682 1.00 0.00 N ATOM 1091 CA ILE A 74 -3.541 -8.958 3.952 1.00 0.00 C ATOM 1092 C ILE A 74 -2.783 -10.257 3.699 1.00 0.00 C ATOM 1093 O ILE A 74 -2.294 -10.498 2.596 1.00 0.00 O ATOM 1094 CB ILE A 74 -4.814 -8.943 3.086 1.00 0.00 C ATOM 1095 CG1 ILE A 74 -5.503 -7.580 3.178 1.00 0.00 C ATOM 1096 CG2 ILE A 74 -5.762 -10.052 3.519 1.00 0.00 C ATOM 1097 CD1 ILE A 74 -6.711 -7.452 2.277 1.00 0.00 C ATOM 0 H ILE A 74 -2.220 -7.826 2.782 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.826 -8.904 5.003 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.532 -9.117 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.809 -7.405 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.785 -6.801 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.657 -10.029 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.268 -11.017 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.041 -9.906 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.149 -6.461 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.408 -7.595 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.448 -8.208 2.547 1.00 0.00 H new ATOM 1109 N TYR A 75 -2.692 -11.092 4.729 1.00 0.00 N ATOM 1110 CA TYR A 75 -1.994 -12.367 4.619 1.00 0.00 C ATOM 1111 C TYR A 75 -2.975 -13.504 4.353 1.00 0.00 C ATOM 1112 O TYR A 75 -3.516 -14.104 5.283 1.00 0.00 O ATOM 1113 CB TYR A 75 -1.202 -12.651 5.897 1.00 0.00 C ATOM 1114 CG TYR A 75 -0.143 -13.716 5.729 1.00 0.00 C ATOM 1115 CD1 TYR A 75 -0.490 -15.057 5.617 1.00 0.00 C ATOM 1116 CD2 TYR A 75 1.205 -13.382 5.685 1.00 0.00 C ATOM 1117 CE1 TYR A 75 0.475 -16.034 5.464 1.00 0.00 C ATOM 1118 CE2 TYR A 75 2.176 -14.353 5.531 1.00 0.00 C ATOM 1119 CZ TYR A 75 1.806 -15.677 5.421 1.00 0.00 C ATOM 1120 OH TYR A 75 2.771 -16.646 5.269 1.00 0.00 O ATOM 0 H TYR A 75 -3.093 -10.908 5.649 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.304 -12.302 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.728 -11.729 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.893 -12.958 6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.532 -15.340 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.499 -12.346 5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.188 -17.072 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.219 -14.076 5.497 1.00 0.00 H new ATOM 0 HH TYR A 75 3.657 -16.227 5.257 1.00 0.00 H new ATOM 1130 N CYS A 76 -3.200 -13.796 3.076 1.00 0.00 N ATOM 1131 CA CYS A 76 -4.116 -14.861 2.685 1.00 0.00 C ATOM 1132 C CYS A 76 -3.355 -16.148 2.381 1.00 0.00 C ATOM 1133 O CYS A 76 -2.397 -16.146 1.609 1.00 0.00 O ATOM 1134 CB CYS A 76 -4.933 -14.437 1.464 1.00 0.00 C ATOM 1135 SG CYS A 76 -6.046 -15.717 0.839 1.00 0.00 S ATOM 0 H CYS A 76 -2.760 -13.310 2.294 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.793 -15.049 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.519 -13.555 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.250 -14.144 0.667 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.222 -15.567 1.371 1.00 0.00 H new ATOM 1141 N GLN A 77 -3.789 -17.244 2.995 1.00 0.00 N ATOM 1142 CA GLN A 77 -3.147 -18.537 2.792 1.00 0.00 C ATOM 1143 C GLN A 77 -3.930 -19.383 1.794 1.00 0.00 C ATOM 1144 O GLN A 77 -5.064 -19.783 2.058 1.00 0.00 O ATOM 1145 CB GLN A 77 -3.021 -19.283 4.122 1.00 0.00 C ATOM 1146 CG GLN A 77 -2.252 -18.511 5.182 1.00 0.00 C ATOM 1147 CD GLN A 77 -2.544 -19.000 6.587 1.00 0.00 C ATOM 1148 OE1 GLN A 77 -1.927 -19.952 7.066 1.00 0.00 O ATOM 1149 NE2 GLN A 77 -3.489 -18.349 7.256 1.00 0.00 N ATOM 0 H GLN A 77 -4.582 -17.262 3.637 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.151 -18.359 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.019 -19.507 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.525 -20.238 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.183 -18.598 4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.504 -17.453 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.975 -17.565 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.729 -18.633 8.206 1.00 0.00 H new ATOM 1158 N VAL A 78 -3.318 -19.652 0.644 1.00 0.00 N ATOM 1159 CA VAL A 78 -3.958 -20.451 -0.394 1.00 0.00 C ATOM 1160 C VAL A 78 -4.624 -21.688 0.197 1.00 0.00 C ATOM 1161 O VAL A 78 -5.692 -22.105 -0.250 1.00 0.00 O ATOM 1162 CB VAL A 78 -2.945 -20.890 -1.468 1.00 0.00 C ATOM 1163 CG1 VAL A 78 -2.401 -19.682 -2.215 1.00 0.00 C ATOM 1164 CG2 VAL A 78 -1.816 -21.691 -0.839 1.00 0.00 C ATOM 0 H VAL A 78 -2.380 -19.328 0.408 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.717 -19.820 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.458 -21.530 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.687 -20.012 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.222 -19.153 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.903 -19.014 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.110 -21.993 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.303 -21.077 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.225 -22.578 -0.355 1.00 0.00 H new ATOM 1174 N GLY A 79 -3.986 -22.272 1.207 1.00 0.00 N ATOM 1175 CA GLY A 79 -4.532 -23.457 1.843 1.00 0.00 C ATOM 1176 C GLY A 79 -3.471 -24.499 2.134 1.00 0.00 C ATOM 1177 O GLY A 79 -2.907 -24.533 3.228 1.00 0.00 O ATOM 0 H GLY A 79 -3.101 -21.946 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.023 -23.173 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.297 -23.891 1.199 1.00 0.00 H new ATOM 1181 N ASP A 80 -3.199 -25.354 1.154 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.198 -26.404 1.310 1.00 0.00 C ATOM 1183 C ASP A 80 -1.240 -26.422 0.124 1.00 0.00 C ATOM 1184 O ASP A 80 -1.508 -25.817 -0.914 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.877 -27.767 1.455 1.00 0.00 C ATOM 1186 CG ASP A 80 -4.181 -27.686 2.223 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.221 -26.978 3.251 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -5.163 -28.330 1.797 1.00 0.00 O ATOM 0 H ASP A 80 -3.658 -25.341 0.243 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.625 -26.195 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.067 -28.182 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.201 -28.454 1.964 1.00 0.00 H new ATOM 1193 N LYS A 81 -0.120 -27.119 0.285 1.00 0.00 N ATOM 1194 CA LYS A 81 0.879 -27.217 -0.772 1.00 0.00 C ATOM 1195 C LYS A 81 0.279 -27.829 -2.034 1.00 0.00 C ATOM 1196 O LYS A 81 0.295 -27.232 -3.110 1.00 0.00 O ATOM 1197 CB LYS A 81 2.069 -28.057 -0.301 1.00 0.00 C ATOM 1198 CG LYS A 81 2.734 -28.847 -1.414 1.00 0.00 C ATOM 1199 CD LYS A 81 4.123 -29.315 -1.013 1.00 0.00 C ATOM 1200 CE LYS A 81 4.080 -30.682 -0.348 1.00 0.00 C ATOM 1201 NZ LYS A 81 5.347 -30.987 0.374 1.00 0.00 N ATOM 0 H LYS A 81 0.118 -27.625 1.138 1.00 0.00 H new ATOM 0 HA LYS A 81 1.223 -26.210 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.808 -27.400 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.732 -28.748 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.118 -29.710 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.802 -28.229 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.762 -29.358 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.569 -28.591 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.245 -30.720 0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.898 -31.447 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.278 -31.927 0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.141 -30.976 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.508 -30.271 1.111 1.00 0.00 H new ATOM 1215 N PRO A 82 -0.265 -29.048 -1.900 1.00 0.00 N ATOM 1216 CA PRO A 82 -0.883 -29.766 -3.019 1.00 0.00 C ATOM 1217 C PRO A 82 -2.191 -29.124 -3.468 1.00 0.00 C ATOM 1218 O PRO A 82 -2.596 -29.260 -4.623 1.00 0.00 O ATOM 1219 CB PRO A 82 -1.141 -31.161 -2.445 1.00 0.00 C ATOM 1220 CG PRO A 82 -1.251 -30.952 -0.974 1.00 0.00 C ATOM 1221 CD PRO A 82 -0.319 -29.818 -0.646 1.00 0.00 C ATOM 0 HA PRO A 82 -0.248 -29.765 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.055 -31.594 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.328 -31.845 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.275 -30.710 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.974 -31.855 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.695 -29.215 0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.667 -30.180 -0.354 1.00 0.00 H new ATOM 1229 N TYR A 83 -2.847 -28.424 -2.549 1.00 0.00 N ATOM 1230 CA TYR A 83 -4.111 -27.763 -2.851 1.00 0.00 C ATOM 1231 C TYR A 83 -3.890 -26.547 -3.745 1.00 0.00 C ATOM 1232 O TYR A 83 -4.604 -26.346 -4.727 1.00 0.00 O ATOM 1233 CB TYR A 83 -4.810 -27.339 -1.558 1.00 0.00 C ATOM 1234 CG TYR A 83 -5.929 -26.345 -1.773 1.00 0.00 C ATOM 1235 CD1 TYR A 83 -5.671 -24.982 -1.846 1.00 0.00 C ATOM 1236 CD2 TYR A 83 -7.246 -26.770 -1.904 1.00 0.00 C ATOM 1237 CE1 TYR A 83 -6.690 -24.071 -2.041 1.00 0.00 C ATOM 1238 CE2 TYR A 83 -8.272 -25.866 -2.101 1.00 0.00 C ATOM 1239 CZ TYR A 83 -7.989 -24.518 -2.168 1.00 0.00 C ATOM 1240 OH TYR A 83 -9.008 -23.613 -2.364 1.00 0.00 O ATOM 0 H TYR A 83 -2.525 -28.300 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.745 -28.472 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.211 -28.224 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.074 -26.904 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.655 -24.629 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.471 -27.825 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.471 -23.015 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.290 -26.213 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.861 -24.091 -2.434 1.00 0.00 H new ATOM 1250 N TRP A 84 -2.895 -25.739 -3.397 1.00 0.00 N ATOM 1251 CA TRP A 84 -2.577 -24.542 -4.168 1.00 0.00 C ATOM 1252 C TRP A 84 -2.452 -24.867 -5.652 1.00 0.00 C ATOM 1253 O TRP A 84 -2.957 -24.135 -6.504 1.00 0.00 O ATOM 1254 CB TRP A 84 -1.279 -23.913 -3.660 1.00 0.00 C ATOM 1255 CG TRP A 84 -0.546 -23.133 -4.710 1.00 0.00 C ATOM 1256 CD1 TRP A 84 0.729 -23.347 -5.150 1.00 0.00 C ATOM 1257 CD2 TRP A 84 -1.045 -22.014 -5.451 1.00 0.00 C ATOM 1258 NE1 TRP A 84 1.053 -22.428 -6.118 1.00 0.00 N ATOM 1259 CE2 TRP A 84 -0.019 -21.600 -6.322 1.00 0.00 C ATOM 1260 CE3 TRP A 84 -2.259 -21.322 -5.464 1.00 0.00 C ATOM 1261 CZ2 TRP A 84 -0.171 -20.526 -7.194 1.00 0.00 C ATOM 1262 CZ3 TRP A 84 -2.409 -20.256 -6.330 1.00 0.00 C ATOM 1263 CH2 TRP A 84 -1.370 -19.866 -7.186 1.00 0.00 C ATOM 0 H TRP A 84 -2.295 -25.891 -2.586 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.392 -23.830 -4.039 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.506 -23.255 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.627 -24.699 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.386 -24.125 -4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.947 -22.371 -6.606 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.066 -21.615 -4.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.629 -20.224 -7.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.343 -19.714 -6.348 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.518 -19.029 -7.852 1.00 0.00 H new ATOM 1274 N LYS A 85 -1.777 -25.971 -5.957 1.00 0.00 N ATOM 1275 CA LYS A 85 -1.587 -26.395 -7.339 1.00 0.00 C ATOM 1276 C LYS A 85 -2.924 -26.491 -8.068 1.00 0.00 C ATOM 1277 O LYS A 85 -3.017 -26.185 -9.257 1.00 0.00 O ATOM 1278 CB LYS A 85 -0.871 -27.746 -7.385 1.00 0.00 C ATOM 1279 CG LYS A 85 0.411 -27.784 -6.571 1.00 0.00 C ATOM 1280 CD LYS A 85 1.614 -27.384 -7.408 1.00 0.00 C ATOM 1281 CE LYS A 85 2.919 -27.673 -6.682 1.00 0.00 C ATOM 1282 NZ LYS A 85 4.101 -27.208 -7.460 1.00 0.00 N ATOM 0 H LYS A 85 -1.352 -26.588 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.973 -25.647 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.547 -28.518 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.640 -27.990 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.321 -27.113 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.561 -28.788 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.596 -27.924 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.556 -26.322 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.909 -27.183 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.003 -28.744 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.971 -27.423 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.125 -27.694 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.034 -26.182 -7.613 1.00 0.00 H new ATOM 1296 N ASP A 86 -3.956 -26.915 -7.347 1.00 0.00 N ATOM 1297 CA ASP A 86 -5.289 -27.048 -7.925 1.00 0.00 C ATOM 1298 C ASP A 86 -5.577 -25.906 -8.895 1.00 0.00 C ATOM 1299 O ASP A 86 -5.913 -24.791 -8.496 1.00 0.00 O ATOM 1300 CB ASP A 86 -6.346 -27.074 -6.820 1.00 0.00 C ATOM 1301 CG ASP A 86 -6.079 -28.153 -5.789 1.00 0.00 C ATOM 1302 OD1 ASP A 86 -5.047 -28.845 -5.909 1.00 0.00 O ATOM 1303 OD2 ASP A 86 -6.902 -28.305 -4.862 1.00 0.00 O ATOM 0 H ASP A 86 -3.896 -27.172 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.328 -27.987 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.375 -26.103 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.328 -27.235 -7.264 1.00 0.00 H new ATOM 1308 N PRO A 87 -5.442 -26.189 -10.199 1.00 0.00 N ATOM 1309 CA PRO A 87 -5.683 -25.199 -11.253 1.00 0.00 C ATOM 1310 C PRO A 87 -7.159 -24.838 -11.383 1.00 0.00 C ATOM 1311 O PRO A 87 -7.525 -23.949 -12.150 1.00 0.00 O ATOM 1312 CB PRO A 87 -5.191 -25.902 -12.520 1.00 0.00 C ATOM 1313 CG PRO A 87 -5.314 -27.356 -12.218 1.00 0.00 C ATOM 1314 CD PRO A 87 -5.045 -27.498 -10.745 1.00 0.00 C ATOM 0 HA PRO A 87 -5.177 -24.256 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.793 -25.625 -13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.160 -25.631 -12.748 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.309 -27.724 -12.470 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.601 -27.938 -12.803 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.626 -28.309 -10.307 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.995 -27.715 -10.547 1.00 0.00 H new ATOM 1322 N ASN A 88 -8.002 -25.535 -10.628 1.00 0.00 N ATOM 1323 CA ASN A 88 -9.439 -25.287 -10.659 1.00 0.00 C ATOM 1324 C ASN A 88 -9.888 -24.528 -9.415 1.00 0.00 C ATOM 1325 O ASN A 88 -11.058 -24.571 -9.037 1.00 0.00 O ATOM 1326 CB ASN A 88 -10.203 -26.609 -10.767 1.00 0.00 C ATOM 1327 CG ASN A 88 -9.558 -27.571 -11.746 1.00 0.00 C ATOM 1328 OD1 ASN A 88 -9.250 -28.712 -11.401 1.00 0.00 O ATOM 1329 ND2 ASN A 88 -9.350 -27.113 -12.975 1.00 0.00 N ATOM 0 H ASN A 88 -7.715 -26.275 -9.988 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.658 -24.675 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -10.256 -27.076 -9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -11.228 -26.409 -11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.919 -27.714 -13.677 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.621 -26.160 -13.217 1.00 0.00 H new ATOM 1336 N ASN A 89 -8.949 -23.833 -8.781 1.00 0.00 N ATOM 1337 CA ASN A 89 -9.247 -23.064 -7.579 1.00 0.00 C ATOM 1338 C ASN A 89 -9.630 -21.629 -7.932 1.00 0.00 C ATOM 1339 O ASN A 89 -9.314 -21.140 -9.016 1.00 0.00 O ATOM 1340 CB ASN A 89 -8.043 -23.064 -6.636 1.00 0.00 C ATOM 1341 CG ASN A 89 -6.763 -22.644 -7.332 1.00 0.00 C ATOM 1342 OD1 ASN A 89 -6.796 -21.963 -8.357 1.00 0.00 O ATOM 1343 ND2 ASN A 89 -5.627 -23.051 -6.778 1.00 0.00 N ATOM 0 H ASN A 89 -7.975 -23.787 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.093 -23.535 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.238 -22.389 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.914 -24.061 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.734 -22.800 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.647 -23.614 -5.928 1.00 0.00 H new ATOM 1350 N ASP A 90 -10.312 -20.961 -7.008 1.00 0.00 N ATOM 1351 CA ASP A 90 -10.737 -19.582 -7.220 1.00 0.00 C ATOM 1352 C ASP A 90 -9.533 -18.650 -7.310 1.00 0.00 C ATOM 1353 O ASP A 90 -9.649 -17.511 -7.762 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.664 -19.132 -6.089 1.00 0.00 C ATOM 1355 CG ASP A 90 -13.020 -19.806 -6.149 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.454 -20.167 -7.263 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -13.649 -19.971 -5.083 1.00 0.00 O ATOM 0 H ASP A 90 -10.582 -21.352 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.280 -19.536 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.195 -19.351 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.796 -18.051 -6.140 1.00 0.00 H new ATOM 1362 N PHE A 91 -8.377 -19.141 -6.876 1.00 0.00 N ATOM 1363 CA PHE A 91 -7.152 -18.352 -6.905 1.00 0.00 C ATOM 1364 C PHE A 91 -6.616 -18.232 -8.329 1.00 0.00 C ATOM 1365 O PHE A 91 -6.237 -17.147 -8.771 1.00 0.00 O ATOM 1366 CB PHE A 91 -6.091 -18.983 -6.001 1.00 0.00 C ATOM 1367 CG PHE A 91 -6.398 -18.853 -4.536 1.00 0.00 C ATOM 1368 CD1 PHE A 91 -6.187 -17.654 -3.875 1.00 0.00 C ATOM 1369 CD2 PHE A 91 -6.897 -19.930 -3.820 1.00 0.00 C ATOM 1370 CE1 PHE A 91 -6.468 -17.531 -2.527 1.00 0.00 C ATOM 1371 CE2 PHE A 91 -7.179 -19.813 -2.473 1.00 0.00 C ATOM 1372 CZ PHE A 91 -6.966 -18.612 -1.825 1.00 0.00 C ATOM 0 H PHE A 91 -8.263 -20.082 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.385 -17.353 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.993 -20.039 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.127 -18.517 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.799 -16.806 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.067 -20.871 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.298 -16.591 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.566 -20.660 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.188 -18.518 -0.772 1.00 0.00 H new ATOM 1382 N ARG A 92 -6.587 -19.354 -9.040 1.00 0.00 N ATOM 1383 CA ARG A 92 -6.097 -19.376 -10.413 1.00 0.00 C ATOM 1384 C ARG A 92 -7.239 -19.163 -11.402 1.00 0.00 C ATOM 1385 O ARG A 92 -7.011 -18.991 -12.599 1.00 0.00 O ATOM 1386 CB ARG A 92 -5.396 -20.704 -10.705 1.00 0.00 C ATOM 1387 CG ARG A 92 -4.319 -21.060 -9.693 1.00 0.00 C ATOM 1388 CD ARG A 92 -3.923 -22.525 -9.794 1.00 0.00 C ATOM 1389 NE ARG A 92 -2.658 -22.797 -9.116 1.00 0.00 N ATOM 1390 CZ ARG A 92 -1.480 -22.375 -9.561 1.00 0.00 C ATOM 1391 NH1 ARG A 92 -1.406 -21.663 -10.678 1.00 0.00 N ATOM 1392 NH2 ARG A 92 -0.373 -22.663 -8.889 1.00 0.00 N ATOM 0 H ARG A 92 -6.897 -20.260 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.382 -18.562 -10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.140 -21.501 -10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.949 -20.658 -11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.443 -20.433 -9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.679 -20.848 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.708 -23.144 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.840 -22.807 -10.844 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.681 -23.341 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.255 -21.439 -11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.500 -21.340 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.426 -23.209 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.531 -22.338 -9.232 1.00 0.00 H new ATOM 1406 N GLN A 93 -8.466 -19.176 -10.893 1.00 0.00 N ATOM 1407 CA GLN A 93 -9.643 -18.985 -11.732 1.00 0.00 C ATOM 1408 C GLN A 93 -10.133 -17.543 -11.663 1.00 0.00 C ATOM 1409 O GLN A 93 -10.271 -16.873 -12.687 1.00 0.00 O ATOM 1410 CB GLN A 93 -10.761 -19.937 -11.303 1.00 0.00 C ATOM 1411 CG GLN A 93 -10.401 -21.406 -11.454 1.00 0.00 C ATOM 1412 CD GLN A 93 -10.605 -21.914 -12.868 1.00 0.00 C ATOM 1413 OE1 GLN A 93 -11.669 -21.728 -13.459 1.00 0.00 O ATOM 1414 NE2 GLN A 93 -9.584 -22.560 -13.418 1.00 0.00 N ATOM 0 H GLN A 93 -8.671 -19.317 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.363 -19.205 -12.762 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.016 -19.739 -10.262 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.652 -19.727 -11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.360 -21.553 -11.166 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.008 -21.997 -10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.720 -22.691 -12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.663 -22.925 -14.367 1.00 0.00 H new ATOM 1423 N LYS A 94 -10.395 -17.069 -10.449 1.00 0.00 N ATOM 1424 CA LYS A 94 -10.869 -15.706 -10.245 1.00 0.00 C ATOM 1425 C LYS A 94 -9.698 -14.738 -10.107 1.00 0.00 C ATOM 1426 O LYS A 94 -9.610 -13.746 -10.832 1.00 0.00 O ATOM 1427 CB LYS A 94 -11.755 -15.633 -8.999 1.00 0.00 C ATOM 1428 CG LYS A 94 -12.884 -16.649 -8.995 1.00 0.00 C ATOM 1429 CD LYS A 94 -14.154 -16.074 -9.600 1.00 0.00 C ATOM 1430 CE LYS A 94 -14.240 -16.359 -11.091 1.00 0.00 C ATOM 1431 NZ LYS A 94 -15.581 -16.021 -11.644 1.00 0.00 N ATOM 0 H LYS A 94 -10.287 -17.610 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.455 -15.417 -11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.137 -15.786 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.178 -14.632 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.581 -17.533 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.081 -16.972 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.023 -16.499 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.183 -14.997 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.476 -15.785 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.027 -17.413 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.599 -16.230 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.308 -16.587 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.774 -15.010 -11.494 1.00 0.00 H new ATOM 1445 N LEU A 95 -8.801 -15.032 -9.172 1.00 0.00 N ATOM 1446 CA LEU A 95 -7.634 -14.188 -8.940 1.00 0.00 C ATOM 1447 C LEU A 95 -6.599 -14.374 -10.044 1.00 0.00 C ATOM 1448 O LEU A 95 -5.682 -13.566 -10.194 1.00 0.00 O ATOM 1449 CB LEU A 95 -7.010 -14.510 -7.581 1.00 0.00 C ATOM 1450 CG LEU A 95 -7.688 -13.879 -6.364 1.00 0.00 C ATOM 1451 CD1 LEU A 95 -6.986 -14.301 -5.083 1.00 0.00 C ATOM 1452 CD2 LEU A 95 -7.705 -12.362 -6.490 1.00 0.00 C ATOM 0 H LEU A 95 -8.859 -15.848 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.961 -13.148 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.010 -15.592 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.968 -14.191 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.718 -14.232 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.482 -13.842 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.026 -15.386 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.946 -13.978 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.191 -11.930 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.682 -11.991 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.254 -12.078 -7.388 1.00 0.00 H new ATOM 1464 N LYS A 96 -6.752 -15.444 -10.817 1.00 0.00 N ATOM 1465 CA LYS A 96 -5.833 -15.736 -11.911 1.00 0.00 C ATOM 1466 C LYS A 96 -4.384 -15.586 -11.460 1.00 0.00 C ATOM 1467 O LYS A 96 -3.573 -14.961 -12.143 1.00 0.00 O ATOM 1468 CB LYS A 96 -6.108 -14.807 -13.096 1.00 0.00 C ATOM 1469 CG LYS A 96 -7.464 -15.032 -13.743 1.00 0.00 C ATOM 1470 CD LYS A 96 -7.410 -16.140 -14.781 1.00 0.00 C ATOM 1471 CE LYS A 96 -7.059 -15.598 -16.158 1.00 0.00 C ATOM 1472 NZ LYS A 96 -5.588 -15.448 -16.337 1.00 0.00 N ATOM 0 H LYS A 96 -7.504 -16.124 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.993 -16.769 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.043 -13.773 -12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.329 -14.948 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.196 -15.286 -12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.802 -14.108 -14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.671 -16.884 -14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.374 -16.647 -14.823 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.451 -16.268 -16.923 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.543 -14.632 -16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.355 -15.495 -17.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.283 -14.531 -15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.097 -16.214 -15.833 1.00 0.00 H new ATOM 1486 N ILE A 97 -4.066 -16.164 -10.306 1.00 0.00 N ATOM 1487 CA ILE A 97 -2.714 -16.096 -9.766 1.00 0.00 C ATOM 1488 C ILE A 97 -1.728 -16.847 -10.655 1.00 0.00 C ATOM 1489 O ILE A 97 -2.122 -17.675 -11.477 1.00 0.00 O ATOM 1490 CB ILE A 97 -2.647 -16.676 -8.341 1.00 0.00 C ATOM 1491 CG1 ILE A 97 -3.584 -15.905 -7.409 1.00 0.00 C ATOM 1492 CG2 ILE A 97 -1.219 -16.635 -7.818 1.00 0.00 C ATOM 1493 CD1 ILE A 97 -3.101 -14.508 -7.087 1.00 0.00 C ATOM 0 H ILE A 97 -4.726 -16.684 -9.728 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.440 -15.041 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.971 -17.716 -8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.570 -15.843 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.700 -16.464 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.189 -17.048 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.575 -17.224 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.868 -15.603 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.814 -14.021 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.128 -14.563 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.012 -13.932 -8.008 1.00 0.00 H new ATOM 1505 N THR A 98 -0.443 -16.554 -10.483 1.00 0.00 N ATOM 1506 CA THR A 98 0.600 -17.202 -11.269 1.00 0.00 C ATOM 1507 C THR A 98 1.393 -18.190 -10.422 1.00 0.00 C ATOM 1508 O THR A 98 1.286 -19.403 -10.602 1.00 0.00 O ATOM 1509 CB THR A 98 1.570 -16.169 -11.875 1.00 0.00 C ATOM 1510 OG1 THR A 98 0.850 -15.246 -12.700 1.00 0.00 O ATOM 1511 CG2 THR A 98 2.648 -16.858 -12.697 1.00 0.00 C ATOM 0 H THR A 98 -0.099 -15.872 -9.807 1.00 0.00 H new ATOM 0 HA THR A 98 0.101 -17.738 -12.076 1.00 0.00 H new ATOM 0 HB THR A 98 2.048 -15.628 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.473 -14.592 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.321 -16.109 -13.115 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.213 -17.538 -12.059 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.184 -17.421 -13.507 1.00 0.00 H new ATOM 1519 N ALA A 99 2.188 -17.664 -9.496 1.00 0.00 N ATOM 1520 CA ALA A 99 2.997 -18.501 -8.618 1.00 0.00 C ATOM 1521 C ALA A 99 3.131 -17.877 -7.234 1.00 0.00 C ATOM 1522 O ALA A 99 3.464 -16.699 -7.102 1.00 0.00 O ATOM 1523 CB ALA A 99 4.371 -18.733 -9.230 1.00 0.00 C ATOM 0 H ALA A 99 2.289 -16.662 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 99 2.493 -19.461 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.965 -19.359 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.261 -19.230 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.873 -17.776 -9.371 1.00 0.00 H new ATOM 1529 N VAL A 100 2.868 -18.674 -6.202 1.00 0.00 N ATOM 1530 CA VAL A 100 2.959 -18.199 -4.827 1.00 0.00 C ATOM 1531 C VAL A 100 4.387 -18.304 -4.303 1.00 0.00 C ATOM 1532 O VAL A 100 5.150 -19.193 -4.682 1.00 0.00 O ATOM 1533 CB VAL A 100 2.023 -18.992 -3.896 1.00 0.00 C ATOM 1534 CG1 VAL A 100 0.587 -18.918 -4.393 1.00 0.00 C ATOM 1535 CG2 VAL A 100 2.483 -20.438 -3.785 1.00 0.00 C ATOM 0 H VAL A 100 2.590 -19.651 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 100 2.653 -17.153 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 100 2.062 -18.544 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.060 -19.484 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.263 -17.877 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.527 -19.339 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.810 -20.984 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.474 -20.899 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.494 -20.468 -3.379 1.00 0.00 H new ATOM 1545 N PRO A 101 4.759 -17.375 -3.410 1.00 0.00 N ATOM 1546 CA PRO A 101 3.860 -16.311 -2.952 1.00 0.00 C ATOM 1547 C PRO A 101 3.571 -15.287 -4.044 1.00 0.00 C ATOM 1548 O PRO A 101 4.440 -14.967 -4.856 1.00 0.00 O ATOM 1549 CB PRO A 101 4.634 -15.663 -1.802 1.00 0.00 C ATOM 1550 CG PRO A 101 6.065 -15.949 -2.099 1.00 0.00 C ATOM 1551 CD PRO A 101 6.087 -17.291 -2.778 1.00 0.00 C ATOM 0 HA PRO A 101 2.884 -16.699 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.447 -14.590 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.338 -16.082 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.491 -15.179 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.658 -15.965 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.888 -17.356 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.244 -18.100 -2.065 1.00 0.00 H new ATOM 1559 N THR A 102 2.345 -14.774 -4.058 1.00 0.00 N ATOM 1560 CA THR A 102 1.941 -13.786 -5.051 1.00 0.00 C ATOM 1561 C THR A 102 1.448 -12.507 -4.384 1.00 0.00 C ATOM 1562 O THR A 102 0.355 -12.471 -3.817 1.00 0.00 O ATOM 1563 CB THR A 102 0.832 -14.333 -5.969 1.00 0.00 C ATOM 1564 OG1 THR A 102 1.227 -15.596 -6.515 1.00 0.00 O ATOM 1565 CG2 THR A 102 0.535 -13.357 -7.098 1.00 0.00 C ATOM 0 H THR A 102 1.614 -15.026 -3.393 1.00 0.00 H new ATOM 0 HA THR A 102 2.823 -13.563 -5.652 1.00 0.00 H new ATOM 0 HB THR A 102 -0.072 -14.462 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.201 -15.618 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.251 -13.764 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.207 -12.406 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.436 -13.201 -7.691 1.00 0.00 H new ATOM 1573 N LEU A 103 2.259 -11.457 -4.456 1.00 0.00 N ATOM 1574 CA LEU A 103 1.905 -10.174 -3.859 1.00 0.00 C ATOM 1575 C LEU A 103 1.239 -9.262 -4.885 1.00 0.00 C ATOM 1576 O LEU A 103 1.915 -8.569 -5.647 1.00 0.00 O ATOM 1577 CB LEU A 103 3.149 -9.494 -3.287 1.00 0.00 C ATOM 1578 CG LEU A 103 2.916 -8.169 -2.560 1.00 0.00 C ATOM 1579 CD1 LEU A 103 2.204 -8.404 -1.237 1.00 0.00 C ATOM 1580 CD2 LEU A 103 4.235 -7.444 -2.337 1.00 0.00 C ATOM 0 H LEU A 103 3.166 -11.469 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 103 1.197 -10.360 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.630 -10.185 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.850 -9.319 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 103 2.280 -7.541 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.047 -7.450 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.241 -8.880 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.813 -9.051 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.050 -6.503 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.895 -8.067 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.706 -7.242 -3.299 1.00 0.00 H new ATOM 1592 N LEU A 104 -0.089 -9.265 -4.898 1.00 0.00 N ATOM 1593 CA LEU A 104 -0.848 -8.437 -5.829 1.00 0.00 C ATOM 1594 C LEU A 104 -1.279 -7.131 -5.168 1.00 0.00 C ATOM 1595 O LEU A 104 -1.774 -7.127 -4.040 1.00 0.00 O ATOM 1596 CB LEU A 104 -2.075 -9.196 -6.335 1.00 0.00 C ATOM 1597 CG LEU A 104 -3.285 -8.340 -6.714 1.00 0.00 C ATOM 1598 CD1 LEU A 104 -3.034 -7.614 -8.026 1.00 0.00 C ATOM 1599 CD2 LEU A 104 -4.537 -9.199 -6.808 1.00 0.00 C ATOM 0 H LEU A 104 -0.663 -9.832 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.203 -8.199 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.782 -9.781 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.383 -9.904 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.438 -7.595 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.905 -7.010 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.162 -6.968 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.855 -8.343 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.388 -8.574 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.395 -9.967 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.727 -9.673 -5.845 1.00 0.00 H new ATOM 1611 N LYS A 105 -1.091 -6.024 -5.878 1.00 0.00 N ATOM 1612 CA LYS A 105 -1.464 -4.712 -5.364 1.00 0.00 C ATOM 1613 C LYS A 105 -2.869 -4.329 -5.816 1.00 0.00 C ATOM 1614 O LYS A 105 -3.050 -3.741 -6.882 1.00 0.00 O ATOM 1615 CB LYS A 105 -0.461 -3.655 -5.831 1.00 0.00 C ATOM 1616 CG LYS A 105 -0.769 -2.257 -5.323 1.00 0.00 C ATOM 1617 CD LYS A 105 0.347 -1.282 -5.659 1.00 0.00 C ATOM 1618 CE LYS A 105 0.070 0.101 -5.089 1.00 0.00 C ATOM 1619 NZ LYS A 105 1.054 1.108 -5.574 1.00 0.00 N ATOM 0 H LYS A 105 -0.682 -6.010 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.453 -4.760 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.537 -3.941 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.442 -3.640 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.703 -1.907 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.915 -2.285 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.291 -1.657 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.459 -1.215 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.937 0.414 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.101 0.058 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.773 2.054 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.998 0.879 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.080 1.096 -6.614 1.00 0.00 H new ATOM 1633 N TYR A 106 -3.860 -4.666 -4.998 1.00 0.00 N ATOM 1634 CA TYR A 106 -5.250 -4.358 -5.314 1.00 0.00 C ATOM 1635 C TYR A 106 -5.385 -2.935 -5.846 1.00 0.00 C ATOM 1636 O TYR A 106 -5.125 -1.966 -5.134 1.00 0.00 O ATOM 1637 CB TYR A 106 -6.129 -4.537 -4.075 1.00 0.00 C ATOM 1638 CG TYR A 106 -7.560 -4.906 -4.396 1.00 0.00 C ATOM 1639 CD1 TYR A 106 -7.858 -6.063 -5.105 1.00 0.00 C ATOM 1640 CD2 TYR A 106 -8.614 -4.097 -3.989 1.00 0.00 C ATOM 1641 CE1 TYR A 106 -9.164 -6.403 -5.401 1.00 0.00 C ATOM 1642 CE2 TYR A 106 -9.923 -4.430 -4.279 1.00 0.00 C ATOM 1643 CZ TYR A 106 -10.193 -5.584 -4.985 1.00 0.00 C ATOM 1644 OH TYR A 106 -11.495 -5.920 -5.277 1.00 0.00 O ATOM 0 H TYR A 106 -3.727 -5.152 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.581 -5.049 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.696 -5.311 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.122 -3.612 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.055 -6.708 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.406 -3.193 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.378 -7.305 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.731 -3.790 -3.955 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.098 -5.239 -4.912 1.00 0.00 H new ATOM 1654 N GLY A 107 -5.796 -2.817 -7.106 1.00 0.00 N ATOM 1655 CA GLY A 107 -5.960 -1.509 -7.713 1.00 0.00 C ATOM 1656 C GLY A 107 -5.093 -1.329 -8.943 1.00 0.00 C ATOM 1657 O GLY A 107 -5.505 -0.695 -9.916 1.00 0.00 O ATOM 0 H GLY A 107 -6.018 -3.604 -7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.006 -1.367 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.713 -0.739 -6.982 1.00 0.00 H new ATOM 1661 N THR A 108 -3.887 -1.885 -8.902 1.00 0.00 N ATOM 1662 CA THR A 108 -2.958 -1.780 -10.020 1.00 0.00 C ATOM 1663 C THR A 108 -2.469 -3.156 -10.460 1.00 0.00 C ATOM 1664 O THR A 108 -2.358 -4.086 -9.662 1.00 0.00 O ATOM 1665 CB THR A 108 -1.741 -0.907 -9.660 1.00 0.00 C ATOM 1666 OG1 THR A 108 -1.051 -1.467 -8.538 1.00 0.00 O ATOM 1667 CG2 THR A 108 -2.173 0.516 -9.337 1.00 0.00 C ATOM 0 H THR A 108 -3.530 -2.413 -8.106 1.00 0.00 H new ATOM 0 HA THR A 108 -3.503 -1.311 -10.840 1.00 0.00 H new ATOM 0 HB THR A 108 -1.073 -0.881 -10.521 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.408 -1.084 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.297 1.114 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.672 0.950 -10.203 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.859 0.505 -8.490 1.00 0.00 H new ATOM 1675 N PRO A 109 -2.169 -3.290 -11.760 1.00 0.00 N ATOM 1676 CA PRO A 109 -1.686 -4.549 -12.336 1.00 0.00 C ATOM 1677 C PRO A 109 -0.274 -4.893 -11.874 1.00 0.00 C ATOM 1678 O PRO A 109 0.293 -5.904 -12.286 1.00 0.00 O ATOM 1679 CB PRO A 109 -1.706 -4.281 -13.843 1.00 0.00 C ATOM 1680 CG PRO A 109 -1.576 -2.802 -13.966 1.00 0.00 C ATOM 1681 CD PRO A 109 -2.279 -2.223 -12.770 1.00 0.00 C ATOM 0 HA PRO A 109 -2.299 -5.398 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.887 -4.794 -14.347 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.632 -4.636 -14.296 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.528 -2.503 -13.985 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.026 -2.447 -14.893 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.806 -1.301 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.319 -1.985 -12.992 1.00 0.00 H new ATOM 1689 N GLN A 110 0.286 -4.046 -11.016 1.00 0.00 N ATOM 1690 CA GLN A 110 1.632 -4.261 -10.499 1.00 0.00 C ATOM 1691 C GLN A 110 1.628 -5.307 -9.390 1.00 0.00 C ATOM 1692 O GLN A 110 1.044 -5.098 -8.326 1.00 0.00 O ATOM 1693 CB GLN A 110 2.217 -2.948 -9.977 1.00 0.00 C ATOM 1694 CG GLN A 110 2.848 -2.089 -11.060 1.00 0.00 C ATOM 1695 CD GLN A 110 2.869 -0.617 -10.699 1.00 0.00 C ATOM 1696 OE1 GLN A 110 2.452 0.234 -11.486 1.00 0.00 O ATOM 1697 NE2 GLN A 110 3.356 -0.307 -9.503 1.00 0.00 N ATOM 0 H GLN A 110 -0.172 -3.205 -10.665 1.00 0.00 H new ATOM 0 HA GLN A 110 2.254 -4.627 -11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.428 -2.378 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 110 2.967 -3.171 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.868 -2.429 -11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.298 -2.223 -11.991 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.691 -1.044 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.395 0.668 -9.205 1.00 0.00 H new ATOM 1706 N LYS A 111 2.283 -6.435 -9.644 1.00 0.00 N ATOM 1707 CA LYS A 111 2.357 -7.515 -8.667 1.00 0.00 C ATOM 1708 C LYS A 111 3.781 -8.050 -8.554 1.00 0.00 C ATOM 1709 O LYS A 111 4.626 -7.781 -9.408 1.00 0.00 O ATOM 1710 CB LYS A 111 1.404 -8.648 -9.056 1.00 0.00 C ATOM 1711 CG LYS A 111 1.643 -9.190 -10.454 1.00 0.00 C ATOM 1712 CD LYS A 111 2.696 -10.286 -10.455 1.00 0.00 C ATOM 1713 CE LYS A 111 2.074 -11.656 -10.231 1.00 0.00 C ATOM 1714 NZ LYS A 111 1.373 -12.153 -11.448 1.00 0.00 N ATOM 0 H LYS A 111 2.771 -6.625 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 111 2.060 -7.115 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.507 -9.461 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.377 -8.289 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.709 -9.581 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.960 -8.379 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.230 -10.278 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.431 -10.087 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.851 -12.365 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.369 -11.603 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.141 -13.160 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.497 -11.610 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.991 -12.037 -12.276 1.00 0.00 H new ATOM 1728 N LEU A 112 4.039 -8.810 -7.495 1.00 0.00 N ATOM 1729 CA LEU A 112 5.361 -9.384 -7.271 1.00 0.00 C ATOM 1730 C LEU A 112 5.269 -10.889 -7.039 1.00 0.00 C ATOM 1731 O LEU A 112 4.546 -11.348 -6.154 1.00 0.00 O ATOM 1732 CB LEU A 112 6.034 -8.713 -6.072 1.00 0.00 C ATOM 1733 CG LEU A 112 6.124 -7.187 -6.121 1.00 0.00 C ATOM 1734 CD1 LEU A 112 6.710 -6.645 -4.826 1.00 0.00 C ATOM 1735 CD2 LEU A 112 6.957 -6.740 -7.314 1.00 0.00 C ATOM 0 H LEU A 112 3.351 -9.043 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 112 5.962 -9.208 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.491 -8.996 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.043 -9.114 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 112 5.117 -6.786 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.766 -5.558 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.074 -6.935 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.710 -7.053 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.010 -5.651 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.963 -7.151 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.495 -7.097 -8.235 1.00 0.00 H new ATOM 1747 N VAL A 113 6.007 -11.652 -7.838 1.00 0.00 N ATOM 1748 CA VAL A 113 6.011 -13.105 -7.718 1.00 0.00 C ATOM 1749 C VAL A 113 7.052 -13.570 -6.706 1.00 0.00 C ATOM 1750 O VAL A 113 7.815 -12.766 -6.172 1.00 0.00 O ATOM 1751 CB VAL A 113 6.293 -13.780 -9.074 1.00 0.00 C ATOM 1752 CG1 VAL A 113 5.596 -15.129 -9.155 1.00 0.00 C ATOM 1753 CG2 VAL A 113 5.858 -12.877 -10.218 1.00 0.00 C ATOM 0 H VAL A 113 6.610 -11.288 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 113 5.018 -13.396 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 113 7.367 -13.947 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.807 -15.590 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.960 -15.775 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.520 -14.990 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.064 -13.369 -11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.790 -12.677 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.408 -11.937 -10.169 1.00 0.00 H new ATOM 1763 N GLU A 114 7.076 -14.874 -6.447 1.00 0.00 N ATOM 1764 CA GLU A 114 8.024 -15.446 -5.497 1.00 0.00 C ATOM 1765 C GLU A 114 9.340 -14.673 -5.509 1.00 0.00 C ATOM 1766 O GLU A 114 9.720 -14.059 -4.512 1.00 0.00 O ATOM 1767 CB GLU A 114 8.282 -16.918 -5.824 1.00 0.00 C ATOM 1768 CG GLU A 114 7.021 -17.698 -6.157 1.00 0.00 C ATOM 1769 CD GLU A 114 7.241 -19.198 -6.139 1.00 0.00 C ATOM 1770 OE1 GLU A 114 8.150 -19.656 -5.415 1.00 0.00 O ATOM 1771 OE2 GLU A 114 6.503 -19.914 -6.848 1.00 0.00 O ATOM 0 H GLU A 114 6.451 -15.553 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 114 7.589 -15.373 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.970 -16.979 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.777 -17.389 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.240 -17.441 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.663 -17.399 -7.142 1.00 0.00 H new ATOM 1778 N SER A 115 10.030 -14.708 -6.644 1.00 0.00 N ATOM 1779 CA SER A 115 11.305 -14.015 -6.785 1.00 0.00 C ATOM 1780 C SER A 115 11.167 -12.542 -6.413 1.00 0.00 C ATOM 1781 O SER A 115 11.987 -11.998 -5.674 1.00 0.00 O ATOM 1782 CB SER A 115 11.824 -14.144 -8.219 1.00 0.00 C ATOM 1783 OG SER A 115 12.328 -15.445 -8.464 1.00 0.00 O ATOM 0 H SER A 115 9.728 -15.209 -7.479 1.00 0.00 H new ATOM 0 HA SER A 115 12.019 -14.478 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.020 -13.924 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.609 -13.408 -8.393 1.00 0.00 H new ATOM 0 HG SER A 115 12.652 -15.502 -9.387 1.00 0.00 H new ATOM 1789 N GLU A 116 10.123 -11.903 -6.931 1.00 0.00 N ATOM 1790 CA GLU A 116 9.877 -10.492 -6.654 1.00 0.00 C ATOM 1791 C GLU A 116 9.464 -10.287 -5.199 1.00 0.00 C ATOM 1792 O GLU A 116 9.493 -9.168 -4.687 1.00 0.00 O ATOM 1793 CB GLU A 116 8.791 -9.948 -7.585 1.00 0.00 C ATOM 1794 CG GLU A 116 9.100 -10.144 -9.060 1.00 0.00 C ATOM 1795 CD GLU A 116 8.265 -9.248 -9.954 1.00 0.00 C ATOM 1796 OE1 GLU A 116 8.503 -8.023 -9.954 1.00 0.00 O ATOM 1797 OE2 GLU A 116 7.373 -9.773 -10.654 1.00 0.00 O ATOM 0 H GLU A 116 9.434 -12.339 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 116 10.804 -9.947 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.846 -10.438 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.655 -8.884 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.157 -9.943 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.924 -11.185 -9.329 1.00 0.00 H new ATOM 1804 N CYS A 117 9.081 -11.375 -4.541 1.00 0.00 N ATOM 1805 CA CYS A 117 8.661 -11.316 -3.145 1.00 0.00 C ATOM 1806 C CYS A 117 9.862 -11.420 -2.211 1.00 0.00 C ATOM 1807 O CYS A 117 9.746 -11.188 -1.007 1.00 0.00 O ATOM 1808 CB CYS A 117 7.665 -12.437 -2.842 1.00 0.00 C ATOM 1809 SG CYS A 117 5.976 -12.092 -3.388 1.00 0.00 S ATOM 0 H CYS A 117 9.052 -12.309 -4.951 1.00 0.00 H new ATOM 0 HA CYS A 117 8.176 -10.354 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.010 -13.354 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.658 -12.621 -1.768 1.00 0.00 H new ATOM 0 HG CYS A 117 5.969 -11.881 -4.671 1.00 0.00 H new ATOM 1815 N CYS A 118 11.013 -11.770 -2.773 1.00 0.00 N ATOM 1816 CA CYS A 118 12.236 -11.908 -1.990 1.00 0.00 C ATOM 1817 C CYS A 118 13.190 -10.749 -2.263 1.00 0.00 C ATOM 1818 O CYS A 118 14.192 -10.581 -1.569 1.00 0.00 O ATOM 1819 CB CYS A 118 12.923 -13.236 -2.307 1.00 0.00 C ATOM 1820 SG CYS A 118 14.418 -13.545 -1.337 1.00 0.00 S ATOM 0 H CYS A 118 11.125 -11.964 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 118 11.966 -11.891 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.217 -14.048 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.180 -13.256 -3.366 1.00 0.00 H new ATOM 0 HG CYS A 118 15.015 -12.417 -1.089 1.00 0.00 H new ATOM 1826 N GLN A 119 12.871 -9.955 -3.280 1.00 0.00 N ATOM 1827 CA GLN A 119 13.702 -8.814 -3.647 1.00 0.00 C ATOM 1828 C GLN A 119 13.202 -7.539 -2.976 1.00 0.00 C ATOM 1829 O GLN A 119 12.301 -6.872 -3.483 1.00 0.00 O ATOM 1830 CB GLN A 119 13.716 -8.634 -5.166 1.00 0.00 C ATOM 1831 CG GLN A 119 14.767 -9.478 -5.869 1.00 0.00 C ATOM 1832 CD GLN A 119 14.957 -10.834 -5.219 1.00 0.00 C ATOM 1833 OE1 GLN A 119 15.463 -10.934 -4.101 1.00 0.00 O ATOM 1834 NE2 GLN A 119 14.551 -11.888 -5.918 1.00 0.00 N ATOM 0 H GLN A 119 12.044 -10.080 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 119 14.717 -9.010 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.733 -8.888 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.891 -7.583 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.479 -9.616 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 119 15.717 -8.943 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.137 -11.759 -6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 119 14.653 -12.826 -5.532 1.00 0.00 H new ATOM 1843 N SER A 120 13.793 -7.207 -1.833 1.00 0.00 N ATOM 1844 CA SER A 120 13.405 -6.013 -1.090 1.00 0.00 C ATOM 1845 C SER A 120 13.274 -4.812 -2.022 1.00 0.00 C ATOM 1846 O SER A 120 12.279 -4.089 -1.983 1.00 0.00 O ATOM 1847 CB SER A 120 14.429 -5.714 0.006 1.00 0.00 C ATOM 1848 OG SER A 120 15.714 -6.194 -0.351 1.00 0.00 O ATOM 0 H SER A 120 14.542 -7.748 -1.401 1.00 0.00 H new ATOM 0 HA SER A 120 12.435 -6.200 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.475 -4.639 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.111 -6.176 0.941 1.00 0.00 H new ATOM 0 HG SER A 120 16.350 -5.989 0.365 1.00 0.00 H new ATOM 1854 N SER A 121 14.286 -4.607 -2.858 1.00 0.00 N ATOM 1855 CA SER A 121 14.287 -3.492 -3.798 1.00 0.00 C ATOM 1856 C SER A 121 12.912 -3.317 -4.434 1.00 0.00 C ATOM 1857 O SER A 121 12.470 -2.195 -4.687 1.00 0.00 O ATOM 1858 CB SER A 121 15.340 -3.714 -4.885 1.00 0.00 C ATOM 1859 OG SER A 121 16.428 -4.478 -4.393 1.00 0.00 O ATOM 0 H SER A 121 15.116 -5.198 -2.904 1.00 0.00 H new ATOM 0 HA SER A 121 14.531 -2.584 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 121 14.888 -4.225 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.702 -2.752 -5.247 1.00 0.00 H new ATOM 0 HG SER A 121 17.086 -4.607 -5.107 1.00 0.00 H new ATOM 1865 N LEU A 122 12.239 -4.433 -4.691 1.00 0.00 N ATOM 1866 CA LEU A 122 10.913 -4.405 -5.298 1.00 0.00 C ATOM 1867 C LEU A 122 9.844 -4.093 -4.256 1.00 0.00 C ATOM 1868 O LEU A 122 9.008 -3.210 -4.454 1.00 0.00 O ATOM 1869 CB LEU A 122 10.611 -5.745 -5.971 1.00 0.00 C ATOM 1870 CG LEU A 122 11.295 -5.990 -7.316 1.00 0.00 C ATOM 1871 CD1 LEU A 122 11.200 -7.458 -7.704 1.00 0.00 C ATOM 1872 CD2 LEU A 122 10.682 -5.110 -8.396 1.00 0.00 C ATOM 0 H LEU A 122 12.590 -5.369 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 122 10.901 -3.617 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.899 -6.545 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.533 -5.822 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 122 12.349 -5.729 -7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.692 -7.613 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.688 -8.068 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.152 -7.746 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.182 -5.299 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.621 -5.339 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.804 -4.062 -8.124 1.00 0.00 H new ATOM 1884 N VAL A 123 9.877 -4.822 -3.145 1.00 0.00 N ATOM 1885 CA VAL A 123 8.912 -4.621 -2.070 1.00 0.00 C ATOM 1886 C VAL A 123 8.838 -3.153 -1.666 1.00 0.00 C ATOM 1887 O VAL A 123 7.755 -2.618 -1.433 1.00 0.00 O ATOM 1888 CB VAL A 123 9.267 -5.466 -0.833 1.00 0.00 C ATOM 1889 CG1 VAL A 123 8.342 -5.130 0.327 1.00 0.00 C ATOM 1890 CG2 VAL A 123 9.203 -6.950 -1.164 1.00 0.00 C ATOM 0 H VAL A 123 10.561 -5.557 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 123 7.942 -4.939 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 123 10.288 -5.228 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.608 -5.737 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.443 -4.074 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.311 -5.337 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.457 -7.532 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.195 -7.207 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.911 -7.176 -1.961 1.00 0.00 H new ATOM 1900 N GLU A 124 9.998 -2.508 -1.584 1.00 0.00 N ATOM 1901 CA GLU A 124 10.064 -1.101 -1.207 1.00 0.00 C ATOM 1902 C GLU A 124 9.690 -0.204 -2.383 1.00 0.00 C ATOM 1903 O GLU A 124 9.465 0.994 -2.217 1.00 0.00 O ATOM 1904 CB GLU A 124 11.467 -0.749 -0.708 1.00 0.00 C ATOM 1905 CG GLU A 124 12.537 -0.851 -1.782 1.00 0.00 C ATOM 1906 CD GLU A 124 13.935 -0.641 -1.233 1.00 0.00 C ATOM 1907 OE1 GLU A 124 14.160 -0.958 -0.046 1.00 0.00 O ATOM 1908 OE2 GLU A 124 14.804 -0.160 -1.990 1.00 0.00 O ATOM 0 H GLU A 124 10.904 -2.937 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 124 9.348 -0.933 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.458 0.266 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.727 -1.412 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.480 -1.831 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.340 -0.111 -2.558 1.00 0.00 H new ATOM 1915 N MET A 125 9.627 -0.794 -3.573 1.00 0.00 N ATOM 1916 CA MET A 125 9.280 -0.049 -4.777 1.00 0.00 C ATOM 1917 C MET A 125 7.768 -0.009 -4.975 1.00 0.00 C ATOM 1918 O MET A 125 7.193 1.051 -5.223 1.00 0.00 O ATOM 1919 CB MET A 125 9.950 -0.677 -6.001 1.00 0.00 C ATOM 1920 CG MET A 125 9.948 0.226 -7.224 1.00 0.00 C ATOM 1921 SD MET A 125 10.064 -0.697 -8.769 1.00 0.00 S ATOM 1922 CE MET A 125 8.548 -1.649 -8.708 1.00 0.00 C ATOM 0 H MET A 125 9.812 -1.785 -3.728 1.00 0.00 H new ATOM 0 HA MET A 125 9.640 0.973 -4.659 1.00 0.00 H new ATOM 0 HB2 MET A 125 10.979 -0.933 -5.750 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.440 -1.609 -6.246 1.00 0.00 H new ATOM 0 HG2 MET A 125 9.036 0.822 -7.229 1.00 0.00 H new ATOM 0 HG3 MET A 125 10.784 0.923 -7.158 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.186 -1.822 -9.721 1.00 0.00 H new ATOM 0 HE2 MET A 125 8.739 -2.606 -8.222 1.00 0.00 H new ATOM 0 HE3 MET A 125 7.795 -1.099 -8.143 1.00 0.00 H new ATOM 1932 N ILE A 126 7.130 -1.169 -4.864 1.00 0.00 N ATOM 1933 CA ILE A 126 5.685 -1.265 -5.030 1.00 0.00 C ATOM 1934 C ILE A 126 4.955 -0.416 -3.995 1.00 0.00 C ATOM 1935 O ILE A 126 3.796 -0.049 -4.183 1.00 0.00 O ATOM 1936 CB ILE A 126 5.201 -2.723 -4.916 1.00 0.00 C ATOM 1937 CG1 ILE A 126 3.782 -2.857 -5.471 1.00 0.00 C ATOM 1938 CG2 ILE A 126 5.255 -3.187 -3.468 1.00 0.00 C ATOM 1939 CD1 ILE A 126 3.467 -4.239 -5.999 1.00 0.00 C ATOM 0 H ILE A 126 7.591 -2.056 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 126 5.457 -0.892 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 126 5.863 -3.357 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.069 -2.606 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.644 -2.131 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.910 -4.219 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.280 -3.124 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.613 -2.551 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.445 -4.260 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.157 -4.486 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.572 -4.968 -5.196 1.00 0.00 H new ATOM 1951 N PHE A 127 5.643 -0.107 -2.901 1.00 0.00 N ATOM 1952 CA PHE A 127 5.061 0.700 -1.835 1.00 0.00 C ATOM 1953 C PHE A 127 5.444 2.169 -1.993 1.00 0.00 C ATOM 1954 O PHE A 127 4.605 3.059 -1.850 1.00 0.00 O ATOM 1955 CB PHE A 127 5.520 0.187 -0.468 1.00 0.00 C ATOM 1956 CG PHE A 127 5.110 -1.232 -0.192 1.00 0.00 C ATOM 1957 CD1 PHE A 127 3.860 -1.692 -0.573 1.00 0.00 C ATOM 1958 CD2 PHE A 127 5.975 -2.105 0.447 1.00 0.00 C ATOM 1959 CE1 PHE A 127 3.480 -2.996 -0.320 1.00 0.00 C ATOM 1960 CE2 PHE A 127 5.601 -3.411 0.703 1.00 0.00 C ATOM 1961 CZ PHE A 127 4.352 -3.857 0.318 1.00 0.00 C ATOM 0 H PHE A 127 6.604 -0.403 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 127 3.976 0.616 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.606 0.262 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.112 0.833 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.175 -1.024 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.953 -1.761 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.502 -3.342 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.284 -4.081 1.203 1.00 0.00 H new ATOM 0 HZ PHE A 127 4.057 -4.877 0.515 1.00 0.00 H new ATOM 1971 N SER A 128 6.716 2.414 -2.289 1.00 0.00 N ATOM 1972 CA SER A 128 7.212 3.774 -2.463 1.00 0.00 C ATOM 1973 C SER A 128 6.508 4.465 -3.627 1.00 0.00 C ATOM 1974 O SER A 128 5.856 5.493 -3.449 1.00 0.00 O ATOM 1975 CB SER A 128 8.723 3.762 -2.702 1.00 0.00 C ATOM 1976 OG SER A 128 9.246 5.079 -2.728 1.00 0.00 O ATOM 0 H SER A 128 7.422 1.688 -2.413 1.00 0.00 H new ATOM 0 HA SER A 128 7.000 4.331 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.214 3.188 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.941 3.262 -3.646 1.00 0.00 H new ATOM 0 HG SER A 128 10.213 5.044 -2.880 1.00 0.00 H new