USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 632 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 58 MET CE :methyl -126:sc= -3.45! (180deg=-7.37!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -149:sc= 1.12 (180deg=-1.07) USER MOD Set 2.1: A 46 MET CE :methyl -118:sc= -1.36 (180deg=-2.06!) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.169 K(o=-1.5,f=-2.8) USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= 0.0162 F(o=-1.8,f=0.037) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= 0.0211 F(o=-2.4,f=0.037) USER MOD Set 4.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 4.2: A 11 MET CE :methyl -117:sc= -2.75! (180deg=-6.08!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0.119 (180deg=0.00459) USER MOD Single : A 22 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.84) USER MOD Single : A 23 MET CE :methyl -127:sc= -4.64! (180deg=-9.47!) USER MOD Single : A 33 GLN : amide:sc= -0.0934 K(o=-0.093,f=-6.8!) USER MOD Single : A 35 MET CE :methyl -167:sc= -3.94! (180deg=-5.02!) USER MOD Single : A 36 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-4.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0574 (180deg=-0.43) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0077) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.4) USER MOD Single : B 5 ASN : amide:sc= 0.0956 X(o=0.096,f=0.44) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.832 F(o=-1.9,f=-0.83) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -163:sc= 0.916 (180deg=0.563) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 130:sc= -0.492 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.344 -6.461 -6.094 1.00 0.00 N ATOM 95 CA THR A 8 -8.865 -5.470 -5.162 1.00 0.00 C ATOM 96 C THR A 8 -9.927 -4.615 -5.837 1.00 0.00 C ATOM 97 O THR A 8 -10.851 -4.130 -5.185 1.00 0.00 O ATOM 98 CB THR A 8 -7.733 -4.590 -4.624 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.175 -3.839 -3.505 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.187 -3.616 -5.643 1.00 0.00 C ATOM 0 HA THR A 8 -9.322 -5.993 -4.322 1.00 0.00 H new ATOM 0 HB THR A 8 -6.936 -5.282 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.467 -3.813 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.389 -3.027 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.793 -4.166 -6.498 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.985 -2.952 -5.976 1.00 0.00 H new ATOM 108 N ALA A 9 -9.805 -4.452 -7.152 1.00 0.00 N ATOM 109 CA ALA A 9 -10.804 -3.719 -7.916 1.00 0.00 C ATOM 110 C ALA A 9 -12.157 -4.398 -7.756 1.00 0.00 C ATOM 111 O ALA A 9 -13.187 -3.739 -7.602 1.00 0.00 O ATOM 112 CB ALA A 9 -10.412 -3.636 -9.382 1.00 0.00 C ATOM 0 H ALA A 9 -9.029 -4.816 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.867 -2.700 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.174 -3.084 -9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.455 -3.123 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.326 -4.642 -9.793 1.00 0.00 H new ATOM 118 N SER A 10 -12.133 -5.728 -7.751 1.00 0.00 N ATOM 119 CA SER A 10 -13.337 -6.515 -7.541 1.00 0.00 C ATOM 120 C SER A 10 -13.808 -6.347 -6.104 1.00 0.00 C ATOM 121 O SER A 10 -15.008 -6.326 -5.830 1.00 0.00 O ATOM 122 CB SER A 10 -13.076 -7.991 -7.843 1.00 0.00 C ATOM 123 OG SER A 10 -14.219 -8.780 -7.563 1.00 0.00 O ATOM 0 H SER A 10 -11.288 -6.282 -7.891 1.00 0.00 H new ATOM 0 HA SER A 10 -14.113 -6.162 -8.220 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.798 -8.107 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.233 -8.343 -7.249 1.00 0.00 H new ATOM 0 HG SER A 10 -14.026 -9.719 -7.766 1.00 0.00 H new ATOM 129 N MET A 11 -12.850 -6.179 -5.193 1.00 0.00 N ATOM 130 CA MET A 11 -13.167 -5.959 -3.788 1.00 0.00 C ATOM 131 C MET A 11 -13.916 -4.645 -3.628 1.00 0.00 C ATOM 132 O MET A 11 -14.806 -4.523 -2.788 1.00 0.00 O ATOM 133 CB MET A 11 -11.892 -5.934 -2.944 1.00 0.00 C ATOM 134 CG MET A 11 -11.066 -7.205 -3.042 1.00 0.00 C ATOM 135 SD MET A 11 -10.389 -7.719 -1.452 1.00 0.00 S ATOM 136 CE MET A 11 -9.413 -6.281 -1.016 1.00 0.00 C ATOM 0 H MET A 11 -11.852 -6.191 -5.405 1.00 0.00 H new ATOM 0 HA MET A 11 -13.796 -6.780 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.278 -5.088 -3.255 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.161 -5.766 -1.901 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.686 -8.006 -3.444 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.249 -7.049 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.361 -6.560 -0.956 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.542 -5.510 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.742 -5.897 -0.050 1.00 0.00 H new ATOM 146 N LEU A 12 -13.554 -3.666 -4.455 1.00 0.00 N ATOM 147 CA LEU A 12 -14.203 -2.362 -4.436 1.00 0.00 C ATOM 148 C LEU A 12 -15.707 -2.517 -4.616 1.00 0.00 C ATOM 149 O LEU A 12 -16.495 -1.959 -3.854 1.00 0.00 O ATOM 150 CB LEU A 12 -13.633 -1.473 -5.545 1.00 0.00 C ATOM 151 CG LEU A 12 -12.665 -0.375 -5.086 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.764 -0.874 -3.967 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.833 0.116 -6.261 1.00 0.00 C ATOM 0 H LEU A 12 -12.811 -3.755 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.011 -1.892 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.118 -2.108 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.464 -1.003 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.252 0.458 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.088 -0.076 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.374 -1.179 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.183 -1.726 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.150 0.895 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.260 -0.715 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.492 0.520 -7.030 1.00 0.00 H new ATOM 165 N ALA A 13 -16.092 -3.275 -5.636 1.00 0.00 N ATOM 166 CA ALA A 13 -17.499 -3.534 -5.909 1.00 0.00 C ATOM 167 C ALA A 13 -18.120 -4.358 -4.788 1.00 0.00 C ATOM 168 O ALA A 13 -19.301 -4.210 -4.472 1.00 0.00 O ATOM 169 CB ALA A 13 -17.657 -4.243 -7.246 1.00 0.00 C ATOM 0 H ALA A 13 -15.447 -3.721 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.023 -2.579 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.714 -4.430 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.251 -3.617 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.120 -5.191 -7.221 1.00 0.00 H new ATOM 175 N SER A 14 -17.310 -5.225 -4.187 1.00 0.00 N ATOM 176 CA SER A 14 -17.768 -6.069 -3.093 1.00 0.00 C ATOM 177 C SER A 14 -17.307 -5.511 -1.750 1.00 0.00 C ATOM 178 O SER A 14 -16.872 -6.258 -0.872 1.00 0.00 O ATOM 179 CB SER A 14 -17.249 -7.498 -3.272 1.00 0.00 C ATOM 180 OG SER A 14 -17.558 -7.996 -4.562 1.00 0.00 O ATOM 0 H SER A 14 -16.332 -5.360 -4.441 1.00 0.00 H new ATOM 0 HA SER A 14 -18.858 -6.083 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.170 -7.518 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.689 -8.146 -2.514 1.00 0.00 H new ATOM 0 HG SER A 14 -17.214 -8.909 -4.651 1.00 0.00 H new ATOM 186 N ALA A 15 -17.490 -4.207 -1.564 1.00 0.00 N ATOM 187 CA ALA A 15 -17.052 -3.547 -0.338 1.00 0.00 C ATOM 188 C ALA A 15 -18.130 -2.643 0.280 1.00 0.00 C ATOM 189 O ALA A 15 -18.307 -2.659 1.497 1.00 0.00 O ATOM 190 CB ALA A 15 -15.794 -2.742 -0.604 1.00 0.00 C ATOM 0 H ALA A 15 -17.936 -3.589 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.848 -4.335 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.474 -2.253 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.004 -3.406 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.999 -1.988 -1.364 1.00 0.00 H new ATOM 241 N GLU A 19 -16.346 0.368 3.236 1.00 0.00 N ATOM 242 CA GLU A 19 -15.366 -0.691 3.423 1.00 0.00 C ATOM 243 C GLU A 19 -14.001 -0.225 2.936 1.00 0.00 C ATOM 244 O GLU A 19 -13.096 -1.032 2.730 1.00 0.00 O ATOM 245 CB GLU A 19 -15.786 -1.947 2.666 1.00 0.00 C ATOM 246 CG GLU A 19 -15.622 -3.230 3.461 1.00 0.00 C ATOM 247 CD GLU A 19 -16.667 -3.381 4.548 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.873 -3.335 4.223 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.282 -3.543 5.725 1.00 0.00 O ATOM 0 HA GLU A 19 -15.307 -0.928 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.830 -1.847 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.199 -2.021 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.682 -4.082 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.630 -3.249 3.911 1.00 0.00 H new ATOM 256 N GLN A 20 -13.880 1.083 2.719 1.00 0.00 N ATOM 257 CA GLN A 20 -12.651 1.677 2.200 1.00 0.00 C ATOM 258 C GLN A 20 -11.421 1.147 2.924 1.00 0.00 C ATOM 259 O GLN A 20 -10.512 0.596 2.304 1.00 0.00 O ATOM 260 CB GLN A 20 -12.704 3.203 2.333 1.00 0.00 C ATOM 261 CG GLN A 20 -13.450 3.682 3.568 1.00 0.00 C ATOM 262 CD GLN A 20 -12.650 4.679 4.383 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.762 4.173 5.231 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.828 5.890 4.252 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.625 1.756 2.897 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.573 1.401 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.686 3.592 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.181 3.620 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.392 4.139 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.699 2.824 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.521 6.235 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.282 6.549 4.807 1.00 0.00 H new ATOM 273 N LYS A 21 -11.408 1.295 4.241 1.00 0.00 N ATOM 274 CA LYS A 21 -10.270 0.861 5.046 1.00 0.00 C ATOM 275 C LYS A 21 -9.957 -0.616 4.822 1.00 0.00 C ATOM 276 O LYS A 21 -8.837 -1.059 5.058 1.00 0.00 O ATOM 277 CB LYS A 21 -10.542 1.115 6.532 1.00 0.00 C ATOM 278 CG LYS A 21 -12.016 1.061 6.905 1.00 0.00 C ATOM 279 CD LYS A 21 -12.424 -0.329 7.368 1.00 0.00 C ATOM 280 CE LYS A 21 -13.525 -0.907 6.493 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.792 -1.101 7.251 1.00 0.00 N ATOM 0 H LYS A 21 -12.170 1.711 4.776 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.403 1.443 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.000 0.376 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.144 2.093 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.219 1.783 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.621 1.351 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.557 -0.989 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.766 -0.283 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.705 -0.241 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.198 -1.862 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.365 -1.835 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.573 -1.396 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.325 -0.208 7.271 1.00 0.00 H new ATOM 295 N GLN A 22 -10.955 -1.380 4.395 1.00 0.00 N ATOM 296 CA GLN A 22 -10.765 -2.805 4.135 1.00 0.00 C ATOM 297 C GLN A 22 -9.969 -3.048 2.852 1.00 0.00 C ATOM 298 O GLN A 22 -8.783 -3.374 2.896 1.00 0.00 O ATOM 299 CB GLN A 22 -12.115 -3.521 4.050 1.00 0.00 C ATOM 300 CG GLN A 22 -12.005 -4.972 3.610 1.00 0.00 C ATOM 301 CD GLN A 22 -11.920 -5.934 4.779 1.00 0.00 C ATOM 302 OE1 GLN A 22 -12.605 -5.763 5.789 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.079 -6.953 4.649 1.00 0.00 N ATOM 0 H GLN A 22 -11.901 -1.040 4.221 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.193 -3.211 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.601 -3.481 5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.758 -2.986 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.869 -5.228 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.122 -5.091 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.531 -7.056 3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.981 -7.633 5.403 1.00 0.00 H new ATOM 312 N MET A 23 -10.647 -2.925 1.712 1.00 0.00 N ATOM 313 CA MET A 23 -10.040 -3.213 0.413 1.00 0.00 C ATOM 314 C MET A 23 -8.967 -2.195 0.015 1.00 0.00 C ATOM 315 O MET A 23 -7.804 -2.326 0.395 1.00 0.00 O ATOM 316 CB MET A 23 -11.116 -3.296 -0.682 1.00 0.00 C ATOM 317 CG MET A 23 -12.455 -2.683 -0.297 1.00 0.00 C ATOM 318 SD MET A 23 -12.347 -0.906 -0.015 1.00 0.00 S ATOM 319 CE MET A 23 -13.601 -0.296 -1.139 1.00 0.00 C ATOM 0 H MET A 23 -11.621 -2.627 1.662 1.00 0.00 H new ATOM 0 HA MET A 23 -9.544 -4.179 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.745 -2.796 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.271 -4.343 -0.943 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.181 -2.879 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.827 -3.169 0.605 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.169 0.468 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.975 -1.119 -1.748 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.423 0.135 -0.568 1.00 0.00 H new ATOM 329 N LEU A 24 -9.358 -1.216 -0.801 1.00 0.00 N ATOM 330 CA LEU A 24 -8.427 -0.225 -1.345 1.00 0.00 C ATOM 331 C LEU A 24 -7.663 0.546 -0.272 1.00 0.00 C ATOM 332 O LEU A 24 -6.882 1.440 -0.599 1.00 0.00 O ATOM 333 CB LEU A 24 -9.182 0.775 -2.236 1.00 0.00 C ATOM 334 CG LEU A 24 -10.532 1.280 -1.706 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.382 1.918 -0.335 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.144 2.272 -2.682 1.00 0.00 C ATOM 0 H LEU A 24 -10.324 -1.087 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.694 -0.786 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.537 1.637 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.349 0.309 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.196 0.421 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.355 2.265 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.987 1.184 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.697 2.763 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.101 2.622 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.471 3.120 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.299 1.786 -3.645 1.00 0.00 H new ATOM 348 N GLY A 25 -7.906 0.246 0.999 1.00 0.00 N ATOM 349 CA GLY A 25 -7.287 1.035 2.043 1.00 0.00 C ATOM 350 C GLY A 25 -7.826 2.437 1.957 1.00 0.00 C ATOM 351 O GLY A 25 -9.032 2.650 2.058 1.00 0.00 O ATOM 0 H GLY A 25 -8.508 -0.513 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.501 0.605 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.203 1.037 1.926 1.00 0.00 H new ATOM 355 N GLU A 26 -6.956 3.389 1.687 1.00 0.00 N ATOM 356 CA GLU A 26 -7.417 4.715 1.333 1.00 0.00 C ATOM 357 C GLU A 26 -7.921 4.642 -0.103 1.00 0.00 C ATOM 358 O GLU A 26 -9.119 4.714 -0.374 1.00 0.00 O ATOM 359 CB GLU A 26 -6.294 5.747 1.469 1.00 0.00 C ATOM 360 CG GLU A 26 -6.483 6.694 2.643 1.00 0.00 C ATOM 361 CD GLU A 26 -6.490 5.975 3.978 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.400 5.788 4.557 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.586 5.598 4.443 1.00 0.00 O ATOM 0 H GLU A 26 -5.943 3.273 1.705 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.213 5.035 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.343 5.226 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.232 6.328 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.685 7.436 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.421 7.235 2.521 1.00 0.00 H new ATOM 370 N ARG A 27 -6.968 4.438 -1.003 1.00 0.00 N ATOM 371 CA ARG A 27 -7.226 4.216 -2.419 1.00 0.00 C ATOM 372 C ARG A 27 -5.996 3.556 -3.023 1.00 0.00 C ATOM 373 O ARG A 27 -5.860 3.438 -4.238 1.00 0.00 O ATOM 374 CB ARG A 27 -7.514 5.537 -3.132 1.00 0.00 C ATOM 375 CG ARG A 27 -8.186 5.369 -4.485 1.00 0.00 C ATOM 376 CD ARG A 27 -9.537 4.685 -4.356 1.00 0.00 C ATOM 377 NE ARG A 27 -10.573 5.353 -5.141 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.808 5.570 -4.699 1.00 0.00 C ATOM 379 NH1 ARG A 27 -12.164 5.170 -3.486 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.689 6.187 -5.474 1.00 0.00 N ATOM 0 H ARG A 27 -5.976 4.422 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.101 3.577 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.149 6.152 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.578 6.078 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.315 6.345 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.542 4.784 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.450 3.648 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.834 4.666 -3.307 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.335 5.671 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.489 4.694 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.113 5.339 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.419 6.495 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.637 6.354 -5.136 1.00 0.00 H new ATOM 394 N LEU A 28 -5.082 3.181 -2.139 1.00 0.00 N ATOM 395 CA LEU A 28 -3.774 2.670 -2.518 1.00 0.00 C ATOM 396 C LEU A 28 -3.828 1.415 -3.386 1.00 0.00 C ATOM 397 O LEU A 28 -3.513 1.471 -4.574 1.00 0.00 O ATOM 398 CB LEU A 28 -2.961 2.404 -1.253 1.00 0.00 C ATOM 399 CG LEU A 28 -2.084 3.577 -0.805 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.578 4.141 0.519 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.632 3.150 -0.695 1.00 0.00 C ATOM 0 H LEU A 28 -5.230 3.224 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.298 3.433 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.645 2.148 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.325 1.534 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.153 4.361 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.942 4.973 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.604 4.491 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.543 3.363 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.027 3.998 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.544 2.346 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.281 2.799 -1.666 1.00 0.00 H new ATOM 413 N PHE A 29 -4.159 0.283 -2.775 1.00 0.00 N ATOM 414 CA PHE A 29 -4.151 -1.008 -3.466 1.00 0.00 C ATOM 415 C PHE A 29 -4.616 -0.929 -4.928 1.00 0.00 C ATOM 416 O PHE A 29 -3.942 -1.462 -5.805 1.00 0.00 O ATOM 417 CB PHE A 29 -4.985 -2.038 -2.703 1.00 0.00 C ATOM 418 CG PHE A 29 -4.333 -3.389 -2.658 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.972 -4.035 -3.829 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.036 -3.990 -1.446 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.349 -5.266 -3.794 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.414 -5.222 -1.405 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.076 -5.863 -2.582 1.00 0.00 C ATOM 0 H PHE A 29 -4.439 0.230 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.108 -1.325 -3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.150 -1.684 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.965 -2.127 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.181 -3.570 -4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.293 -3.490 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.076 -5.761 -4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.192 -5.684 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.598 -6.831 -2.552 1.00 0.00 H new ATOM 433 N PRO A 30 -5.768 -0.293 -5.227 1.00 0.00 N ATOM 434 CA PRO A 30 -6.284 -0.222 -6.602 1.00 0.00 C ATOM 435 C PRO A 30 -5.312 0.450 -7.575 1.00 0.00 C ATOM 436 O PRO A 30 -5.117 -0.031 -8.695 1.00 0.00 O ATOM 437 CB PRO A 30 -7.575 0.597 -6.481 1.00 0.00 C ATOM 438 CG PRO A 30 -7.510 1.252 -5.144 1.00 0.00 C ATOM 439 CD PRO A 30 -6.675 0.357 -4.271 1.00 0.00 C ATOM 0 HA PRO A 30 -6.440 -1.220 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.645 1.338 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.454 -0.042 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.066 2.245 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.508 1.380 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.128 0.925 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.287 -0.371 -3.738 1.00 0.00 H new ATOM 447 N LEU A 31 -4.674 1.536 -7.144 1.00 0.00 N ATOM 448 CA LEU A 31 -3.734 2.238 -8.020 1.00 0.00 C ATOM 449 C LEU A 31 -2.474 1.408 -8.210 1.00 0.00 C ATOM 450 O LEU A 31 -2.000 1.226 -9.333 1.00 0.00 O ATOM 451 CB LEU A 31 -3.366 3.622 -7.470 1.00 0.00 C ATOM 452 CG LEU A 31 -4.223 4.115 -6.309 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.348 4.658 -5.189 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.208 5.170 -6.781 1.00 0.00 C ATOM 0 H LEU A 31 -4.785 1.943 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.227 2.380 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.325 3.601 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.433 4.346 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.790 3.270 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.979 5.005 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.687 3.870 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.751 5.489 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.810 5.509 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.663 6.015 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.859 4.744 -7.544 1.00 0.00 H new ATOM 466 N ILE A 32 -1.955 0.869 -7.116 1.00 0.00 N ATOM 467 CA ILE A 32 -0.782 0.015 -7.191 1.00 0.00 C ATOM 468 C ILE A 32 -1.151 -1.318 -7.821 1.00 0.00 C ATOM 469 O ILE A 32 -0.283 -2.068 -8.252 1.00 0.00 O ATOM 470 CB ILE A 32 -0.136 -0.229 -5.817 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.481 0.916 -4.858 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.371 -0.369 -5.976 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.195 0.818 -3.508 1.00 0.00 C ATOM 0 H ILE A 32 -2.324 1.007 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.050 0.536 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.528 -1.154 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.203 1.861 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.561 0.939 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.825 -0.542 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.591 -1.211 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.778 0.545 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.102 1.665 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.102 -0.110 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.277 0.827 -3.641 1.00 0.00 H new ATOM 485 N GLN A 33 -2.449 -1.615 -7.853 1.00 0.00 N ATOM 486 CA GLN A 33 -2.928 -2.830 -8.501 1.00 0.00 C ATOM 487 C GLN A 33 -2.599 -2.757 -9.983 1.00 0.00 C ATOM 488 O GLN A 33 -2.305 -3.764 -10.623 1.00 0.00 O ATOM 489 CB GLN A 33 -4.430 -3.013 -8.283 1.00 0.00 C ATOM 490 CG GLN A 33 -5.042 -4.113 -9.136 1.00 0.00 C ATOM 491 CD GLN A 33 -6.454 -3.788 -9.582 1.00 0.00 C ATOM 492 OE1 GLN A 33 -7.425 -4.297 -9.025 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.574 -2.934 -10.593 1.00 0.00 N ATOM 0 H GLN A 33 -3.180 -1.036 -7.441 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.431 -3.695 -8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.611 -3.237 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.937 -2.073 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.417 -4.277 -10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.049 -5.045 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.741 -2.536 -11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.499 -2.677 -10.936 1.00 0.00 H new ATOM 502 N ALA A 34 -2.618 -1.539 -10.511 1.00 0.00 N ATOM 503 CA ALA A 34 -2.219 -1.307 -11.891 1.00 0.00 C ATOM 504 C ALA A 34 -0.710 -1.480 -11.998 1.00 0.00 C ATOM 505 O ALA A 34 -0.185 -1.919 -13.021 1.00 0.00 O ATOM 506 CB ALA A 34 -2.640 0.081 -12.349 1.00 0.00 C ATOM 0 H ALA A 34 -2.904 -0.701 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.715 -2.028 -12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.331 0.232 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.723 0.175 -12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.167 0.832 -11.716 1.00 0.00 H new ATOM 512 N MET A 35 -0.033 -1.180 -10.892 1.00 0.00 N ATOM 513 CA MET A 35 1.413 -1.341 -10.789 1.00 0.00 C ATOM 514 C MET A 35 1.735 -2.633 -10.048 1.00 0.00 C ATOM 515 O MET A 35 2.831 -2.803 -9.512 1.00 0.00 O ATOM 516 CB MET A 35 2.016 -0.147 -10.049 1.00 0.00 C ATOM 517 CG MET A 35 1.422 1.178 -10.484 1.00 0.00 C ATOM 518 SD MET A 35 2.141 2.586 -9.627 1.00 0.00 S ATOM 519 CE MET A 35 0.684 3.604 -9.420 1.00 0.00 C ATOM 0 H MET A 35 -0.471 -0.819 -10.044 1.00 0.00 H new ATOM 0 HA MET A 35 1.842 -1.389 -11.790 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.862 -0.274 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.093 -0.129 -10.216 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.567 1.300 -11.557 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.346 1.163 -10.308 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.982 4.608 -9.117 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.139 3.656 -10.363 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.042 3.169 -8.654 1.00 0.00 H new ATOM 529 N HIS A 36 0.752 -3.532 -10.008 1.00 0.00 N ATOM 530 CA HIS A 36 0.895 -4.803 -9.313 1.00 0.00 C ATOM 531 C HIS A 36 1.980 -5.684 -9.940 1.00 0.00 C ATOM 532 O HIS A 36 2.679 -6.389 -9.210 1.00 0.00 O ATOM 533 CB HIS A 36 -0.454 -5.534 -9.251 1.00 0.00 C ATOM 534 CG HIS A 36 -0.611 -6.646 -10.242 1.00 0.00 C ATOM 535 ND1 HIS A 36 -1.192 -6.435 -11.470 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.268 -7.953 -10.134 1.00 0.00 C ATOM 537 CE1 HIS A 36 -1.180 -7.605 -12.083 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.628 -8.553 -11.312 1.00 0.00 N ATOM 0 H HIS A 36 -0.156 -3.398 -10.453 1.00 0.00 H new ATOM 0 HA HIS A 36 1.218 -4.589 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.586 -5.939 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.252 -4.809 -9.410 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -1.558 -5.555 -11.833 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.199 -8.429 -9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.565 -7.776 -13.077 1.00 0.00 H new ATOM 546 N PRO A 37 2.170 -5.656 -11.287 1.00 0.00 N ATOM 547 CA PRO A 37 3.231 -6.434 -11.933 1.00 0.00 C ATOM 548 C PRO A 37 4.527 -6.361 -11.135 1.00 0.00 C ATOM 549 O PRO A 37 5.344 -7.281 -11.160 1.00 0.00 O ATOM 550 CB PRO A 37 3.390 -5.754 -13.290 1.00 0.00 C ATOM 551 CG PRO A 37 2.036 -5.216 -13.596 1.00 0.00 C ATOM 552 CD PRO A 37 1.414 -4.852 -12.272 1.00 0.00 C ATOM 0 HA PRO A 37 2.992 -7.495 -12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.134 -4.958 -13.251 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.718 -6.460 -14.052 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.102 -4.344 -14.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.432 -5.958 -14.118 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.504 -3.785 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.351 -5.092 -12.251 1.00 0.00 H new ATOM 560 N THR A 38 4.674 -5.270 -10.386 1.00 0.00 N ATOM 561 CA THR A 38 5.814 -5.092 -9.505 1.00 0.00 C ATOM 562 C THR A 38 5.613 -5.916 -8.237 1.00 0.00 C ATOM 563 O THR A 38 6.139 -7.023 -8.123 1.00 0.00 O ATOM 564 CB THR A 38 5.991 -3.615 -9.150 1.00 0.00 C ATOM 565 OG1 THR A 38 6.260 -2.850 -10.312 1.00 0.00 O ATOM 566 CG2 THR A 38 7.111 -3.365 -8.164 1.00 0.00 C ATOM 0 H THR A 38 4.011 -4.495 -10.376 1.00 0.00 H new ATOM 0 HA THR A 38 6.714 -5.432 -10.018 1.00 0.00 H new ATOM 0 HB THR A 38 5.051 -3.314 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.368 -1.908 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.181 -2.297 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.907 -3.902 -7.238 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.053 -3.715 -8.587 1.00 0.00 H new ATOM 574 N LEU A 39 4.831 -5.383 -7.294 1.00 0.00 N ATOM 575 CA LEU A 39 4.549 -6.101 -6.056 1.00 0.00 C ATOM 576 C LEU A 39 3.477 -5.411 -5.206 1.00 0.00 C ATOM 577 O LEU A 39 3.684 -5.191 -4.011 1.00 0.00 O ATOM 578 CB LEU A 39 5.833 -6.265 -5.237 1.00 0.00 C ATOM 579 CG LEU A 39 6.031 -7.640 -4.586 1.00 0.00 C ATOM 580 CD1 LEU A 39 4.989 -7.877 -3.503 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.976 -8.745 -5.631 1.00 0.00 C ATOM 0 H LEU A 39 4.388 -4.467 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 39 4.160 -7.080 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.685 -6.064 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.843 -5.507 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 39 7.018 -7.657 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.147 -8.858 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.080 -7.108 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.992 -7.836 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.119 -9.711 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.006 -8.728 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.764 -8.588 -6.368 1.00 0.00 H new ATOM 593 N ALA A 40 2.317 -5.107 -5.796 1.00 0.00 N ATOM 594 CA ALA A 40 1.223 -4.515 -5.034 1.00 0.00 C ATOM 595 C ALA A 40 0.868 -5.428 -3.865 1.00 0.00 C ATOM 596 O ALA A 40 1.070 -6.641 -3.930 1.00 0.00 O ATOM 597 CB ALA A 40 0.003 -4.261 -5.917 1.00 0.00 C ATOM 0 H ALA A 40 2.116 -5.260 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 40 1.548 -3.548 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.794 -3.820 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.273 -3.578 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.342 -5.204 -6.341 1.00 0.00 H new ATOM 603 N GLY A 41 0.401 -4.834 -2.780 1.00 0.00 N ATOM 604 CA GLY A 41 0.065 -5.605 -1.596 1.00 0.00 C ATOM 605 C GLY A 41 0.633 -5.002 -0.330 1.00 0.00 C ATOM 606 O GLY A 41 -0.103 -4.444 0.483 1.00 0.00 O ATOM 0 H GLY A 41 0.247 -3.829 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.019 -5.674 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.440 -6.622 -1.710 1.00 0.00 H new ATOM 610 N LYS A 42 1.943 -5.131 -0.148 1.00 0.00 N ATOM 611 CA LYS A 42 2.596 -4.591 1.037 1.00 0.00 C ATOM 612 C LYS A 42 2.782 -3.083 0.920 1.00 0.00 C ATOM 613 O LYS A 42 2.810 -2.373 1.926 1.00 0.00 O ATOM 614 CB LYS A 42 3.950 -5.270 1.267 1.00 0.00 C ATOM 615 CG LYS A 42 4.640 -4.849 2.560 1.00 0.00 C ATOM 616 CD LYS A 42 3.649 -4.672 3.705 1.00 0.00 C ATOM 617 CE LYS A 42 3.306 -5.999 4.361 1.00 0.00 C ATOM 618 NZ LYS A 42 4.461 -6.561 5.113 1.00 0.00 N ATOM 0 H LYS A 42 2.569 -5.602 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 42 1.952 -4.794 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.806 -6.350 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.606 -5.044 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.382 -5.598 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.176 -3.914 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.070 -3.996 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.738 -4.205 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.463 -5.862 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.989 -6.710 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.120 -7.269 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.123 -7.010 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.948 -5.797 5.623 1.00 0.00 H new ATOM 632 N ILE A 43 2.901 -2.597 -0.311 1.00 0.00 N ATOM 633 CA ILE A 43 3.086 -1.172 -0.551 1.00 0.00 C ATOM 634 C ILE A 43 1.987 -0.361 0.129 1.00 0.00 C ATOM 635 O ILE A 43 2.272 0.544 0.912 1.00 0.00 O ATOM 636 CB ILE A 43 3.104 -0.845 -2.055 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.134 -1.718 -2.775 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.407 0.630 -2.268 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.129 -1.548 -4.280 1.00 0.00 C ATOM 0 H ILE A 43 2.873 -3.168 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 43 4.053 -0.901 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 43 2.121 -1.059 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.128 -1.481 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.942 -2.764 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.417 0.849 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.640 1.233 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.381 0.867 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.884 -2.198 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.147 -1.813 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.352 -0.511 -4.530 1.00 0.00 H new ATOM 651 N THR A 44 0.733 -0.704 -0.157 1.00 0.00 N ATOM 652 CA THR A 44 -0.398 -0.015 0.450 1.00 0.00 C ATOM 653 C THR A 44 -0.280 -0.029 1.967 1.00 0.00 C ATOM 654 O THR A 44 -0.609 0.951 2.634 1.00 0.00 O ATOM 655 CB THR A 44 -1.717 -0.667 0.023 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.821 0.082 0.495 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.882 -2.083 0.528 1.00 0.00 C ATOM 0 H THR A 44 0.477 -1.451 -0.802 1.00 0.00 H new ATOM 0 HA THR A 44 -0.390 1.019 0.106 1.00 0.00 H new ATOM 0 HB THR A 44 -1.684 -0.688 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.654 -0.349 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.838 -2.482 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.072 -2.703 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.855 -2.086 1.618 1.00 0.00 H new ATOM 665 N GLY A 45 0.219 -1.141 2.497 1.00 0.00 N ATOM 666 CA GLY A 45 0.375 -1.286 3.931 1.00 0.00 C ATOM 667 C GLY A 45 1.047 -0.093 4.580 1.00 0.00 C ATOM 668 O GLY A 45 0.403 0.675 5.286 1.00 0.00 O ATOM 0 H GLY A 45 0.520 -1.950 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.605 -1.434 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.960 -2.182 4.138 1.00 0.00 H new ATOM 672 N MET A 46 2.338 0.068 4.320 1.00 0.00 N ATOM 673 CA MET A 46 3.115 1.154 4.914 1.00 0.00 C ATOM 674 C MET A 46 2.495 2.522 4.632 1.00 0.00 C ATOM 675 O MET A 46 2.396 3.360 5.529 1.00 0.00 O ATOM 676 CB MET A 46 4.562 1.130 4.402 1.00 0.00 C ATOM 677 CG MET A 46 4.797 0.188 3.231 1.00 0.00 C ATOM 678 SD MET A 46 5.760 -1.266 3.693 1.00 0.00 S ATOM 679 CE MET A 46 7.295 -0.946 2.827 1.00 0.00 C ATOM 0 H MET A 46 2.873 -0.540 3.700 1.00 0.00 H new ATOM 0 HA MET A 46 3.109 0.995 5.992 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.846 2.139 4.104 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.220 0.843 5.222 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.836 -0.131 2.827 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.315 0.725 2.436 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.471 -1.735 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.231 0.015 2.316 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.118 -0.923 3.541 1.00 0.00 H new ATOM 689 N LEU A 47 2.099 2.755 3.384 1.00 0.00 N ATOM 690 CA LEU A 47 1.537 4.046 2.995 1.00 0.00 C ATOM 691 C LEU A 47 0.067 4.176 3.394 1.00 0.00 C ATOM 692 O LEU A 47 -0.596 5.143 3.019 1.00 0.00 O ATOM 693 CB LEU A 47 1.682 4.262 1.485 1.00 0.00 C ATOM 694 CG LEU A 47 3.117 4.457 0.977 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.854 5.490 1.818 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.871 3.137 0.972 1.00 0.00 C ATOM 0 H LEU A 47 2.156 2.072 2.629 1.00 0.00 H new ATOM 0 HA LEU A 47 2.099 4.812 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.247 3.405 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.094 5.136 1.203 1.00 0.00 H new ATOM 0 HG LEU A 47 3.065 4.826 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.869 5.611 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.330 6.444 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.892 5.155 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.886 3.299 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.908 2.735 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.360 2.429 0.319 1.00 0.00 H new ATOM 708 N LEU A 48 -0.441 3.208 4.154 1.00 0.00 N ATOM 709 CA LEU A 48 -1.834 3.248 4.595 1.00 0.00 C ATOM 710 C LEU A 48 -2.067 4.412 5.554 1.00 0.00 C ATOM 711 O LEU A 48 -3.204 4.716 5.914 1.00 0.00 O ATOM 712 CB LEU A 48 -2.239 1.923 5.254 1.00 0.00 C ATOM 713 CG LEU A 48 -3.567 1.335 4.771 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.624 2.418 4.621 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.366 0.603 3.457 1.00 0.00 C ATOM 0 H LEU A 48 0.084 2.394 4.475 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.459 3.397 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.450 1.192 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.298 2.075 6.332 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.919 0.626 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.557 1.971 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.788 2.903 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.286 3.158 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.317 0.189 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.989 1.298 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.647 -0.205 3.597 1.00 0.00 H new ATOM 727 N GLU A 49 -0.984 5.076 5.941 1.00 0.00 N ATOM 728 CA GLU A 49 -1.068 6.219 6.841 1.00 0.00 C ATOM 729 C GLU A 49 -1.341 7.504 6.062 1.00 0.00 C ATOM 730 O GLU A 49 -1.121 8.606 6.565 1.00 0.00 O ATOM 731 CB GLU A 49 0.231 6.356 7.638 1.00 0.00 C ATOM 732 CG GLU A 49 0.546 5.141 8.495 1.00 0.00 C ATOM 733 CD GLU A 49 0.617 5.476 9.972 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.655 6.014 10.409 1.00 0.00 O ATOM 735 OE2 GLU A 49 -0.366 5.202 10.691 1.00 0.00 O ATOM 0 H GLU A 49 -0.036 4.842 5.645 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.895 6.052 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.056 6.527 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.164 7.235 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.217 4.379 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.496 4.712 8.177 1.00 0.00 H new ATOM 742 N ILE A 50 -1.827 7.351 4.832 1.00 0.00 N ATOM 743 CA ILE A 50 -2.126 8.495 3.977 1.00 0.00 C ATOM 744 C ILE A 50 -3.515 9.061 4.289 1.00 0.00 C ATOM 745 O ILE A 50 -4.329 8.404 4.939 1.00 0.00 O ATOM 746 CB ILE A 50 -2.015 8.114 2.480 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.191 9.161 1.729 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.386 7.951 1.835 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.730 8.696 0.366 1.00 0.00 C ATOM 0 H ILE A 50 -2.022 6.445 4.406 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.387 9.269 4.184 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.509 7.151 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.786 10.067 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.320 9.426 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.265 7.684 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.938 7.164 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.937 8.889 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.151 9.487 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.109 7.807 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.597 8.458 -0.250 1.00 0.00 H new ATOM 761 N ASP A 51 -3.766 10.293 3.850 1.00 0.00 N ATOM 762 CA ASP A 51 -5.038 10.958 4.109 1.00 0.00 C ATOM 763 C ASP A 51 -6.173 10.339 3.305 1.00 0.00 C ATOM 764 O ASP A 51 -5.948 9.730 2.259 1.00 0.00 O ATOM 765 CB ASP A 51 -4.932 12.443 3.769 1.00 0.00 C ATOM 766 CG ASP A 51 -4.281 13.248 4.877 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.663 13.059 6.051 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.389 14.066 4.570 1.00 0.00 O ATOM 0 H ASP A 51 -3.102 10.851 3.312 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.262 10.833 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.356 12.562 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.928 12.840 3.574 1.00 0.00 H new ATOM 773 N ASN A 52 -7.398 10.534 3.784 1.00 0.00 N ATOM 774 CA ASN A 52 -8.579 10.040 3.090 1.00 0.00 C ATOM 775 C ASN A 52 -9.047 11.066 2.063 1.00 0.00 C ATOM 776 O ASN A 52 -9.620 10.718 1.031 1.00 0.00 O ATOM 777 CB ASN A 52 -9.701 9.736 4.085 1.00 0.00 C ATOM 778 CG ASN A 52 -9.680 8.294 4.558 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.424 7.433 3.871 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.004 7.958 5.530 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.597 11.032 4.652 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.319 9.116 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.609 10.399 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.663 9.949 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.447 8.652 6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.000 6.985 5.837 1.00 0.00 H new ATOM 787 N SER A 53 -8.796 12.336 2.352 1.00 0.00 N ATOM 788 CA SER A 53 -9.137 13.404 1.423 1.00 0.00 C ATOM 789 C SER A 53 -8.152 13.395 0.262 1.00 0.00 C ATOM 790 O SER A 53 -8.496 13.733 -0.872 1.00 0.00 O ATOM 791 CB SER A 53 -9.110 14.761 2.130 1.00 0.00 C ATOM 792 OG SER A 53 -10.421 15.224 2.399 1.00 0.00 O ATOM 0 H SER A 53 -8.359 12.650 3.219 1.00 0.00 H new ATOM 0 HA SER A 53 -10.146 13.239 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.553 14.677 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.585 15.487 1.509 1.00 0.00 H new ATOM 0 HG SER A 53 -10.375 16.092 2.852 1.00 0.00 H new ATOM 798 N GLU A 54 -6.930 12.967 0.560 1.00 0.00 N ATOM 799 CA GLU A 54 -5.880 12.879 -0.441 1.00 0.00 C ATOM 800 C GLU A 54 -6.063 11.632 -1.303 1.00 0.00 C ATOM 801 O GLU A 54 -5.646 11.601 -2.461 1.00 0.00 O ATOM 802 CB GLU A 54 -4.504 12.865 0.241 1.00 0.00 C ATOM 803 CG GLU A 54 -3.902 11.478 0.407 1.00 0.00 C ATOM 804 CD GLU A 54 -2.762 11.223 -0.558 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.793 12.012 -0.552 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.839 10.238 -1.321 1.00 0.00 O ATOM 0 H GLU A 54 -6.644 12.674 1.494 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.941 13.753 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.817 13.479 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.593 13.329 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.542 11.361 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.678 10.728 0.255 1.00 0.00 H new ATOM 813 N LEU A 55 -6.690 10.605 -0.729 1.00 0.00 N ATOM 814 CA LEU A 55 -6.925 9.360 -1.450 1.00 0.00 C ATOM 815 C LEU A 55 -7.805 9.608 -2.669 1.00 0.00 C ATOM 816 O LEU A 55 -7.496 9.159 -3.774 1.00 0.00 O ATOM 817 CB LEU A 55 -7.551 8.302 -0.522 1.00 0.00 C ATOM 818 CG LEU A 55 -9.083 8.314 -0.391 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.745 7.566 -1.539 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.503 7.703 0.937 1.00 0.00 C ATOM 0 H LEU A 55 -7.042 10.613 0.228 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.966 8.975 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.248 7.317 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.124 8.427 0.473 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.412 9.353 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.828 7.594 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.475 8.038 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.407 6.530 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.590 7.718 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.149 6.674 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.071 8.279 1.755 1.00 0.00 H new ATOM 832 N LEU A 56 -8.888 10.347 -2.462 1.00 0.00 N ATOM 833 CA LEU A 56 -9.817 10.661 -3.540 1.00 0.00 C ATOM 834 C LEU A 56 -9.128 11.466 -4.636 1.00 0.00 C ATOM 835 O LEU A 56 -9.302 11.192 -5.822 1.00 0.00 O ATOM 836 CB LEU A 56 -11.019 11.437 -2.996 1.00 0.00 C ATOM 837 CG LEU A 56 -12.086 11.793 -4.034 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.724 10.533 -4.600 1.00 0.00 C ATOM 839 CD2 LEU A 56 -13.143 12.700 -3.420 1.00 0.00 C ATOM 0 H LEU A 56 -9.145 10.740 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.165 9.722 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.485 10.848 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.660 12.358 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.605 12.329 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.480 10.807 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.959 9.920 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.191 9.968 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.894 12.944 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.619 12.189 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.674 13.618 -3.065 1.00 0.00 H new ATOM 851 N HIS A 57 -8.335 12.453 -4.228 1.00 0.00 N ATOM 852 CA HIS A 57 -7.622 13.305 -5.176 1.00 0.00 C ATOM 853 C HIS A 57 -6.674 12.491 -6.055 1.00 0.00 C ATOM 854 O HIS A 57 -6.390 12.871 -7.192 1.00 0.00 O ATOM 855 CB HIS A 57 -6.836 14.383 -4.426 1.00 0.00 C ATOM 856 CG HIS A 57 -6.700 15.667 -5.186 1.00 0.00 C ATOM 857 ND1 HIS A 57 -5.488 16.304 -5.303 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.645 16.385 -5.842 1.00 0.00 C ATOM 859 CE1 HIS A 57 -5.717 17.389 -6.022 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.009 17.477 -6.372 1.00 0.00 N ATOM 0 H HIS A 57 -8.170 12.683 -3.248 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.362 13.777 -5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.329 14.584 -3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.842 14.001 -4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.694 16.143 -5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.961 18.112 -6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.437 18.217 -6.928 1.00 0.00 H new ATOM 868 N MET A 58 -6.184 11.374 -5.523 1.00 0.00 N ATOM 869 CA MET A 58 -5.252 10.518 -6.253 1.00 0.00 C ATOM 870 C MET A 58 -5.930 9.834 -7.438 1.00 0.00 C ATOM 871 O MET A 58 -5.424 9.877 -8.559 1.00 0.00 O ATOM 872 CB MET A 58 -4.660 9.463 -5.315 1.00 0.00 C ATOM 873 CG MET A 58 -3.630 10.007 -4.331 1.00 0.00 C ATOM 874 SD MET A 58 -3.393 11.793 -4.453 1.00 0.00 S ATOM 875 CE MET A 58 -1.794 11.871 -5.255 1.00 0.00 C ATOM 0 H MET A 58 -6.417 11.040 -4.588 1.00 0.00 H new ATOM 0 HA MET A 58 -4.453 11.151 -6.639 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.470 8.996 -4.754 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.195 8.680 -5.914 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.941 9.758 -3.316 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.676 9.509 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.120 12.491 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.380 10.866 -5.341 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.906 12.303 -6.249 1.00 0.00 H new ATOM 885 N LEU A 59 -7.067 9.193 -7.185 1.00 0.00 N ATOM 886 CA LEU A 59 -7.795 8.490 -8.238 1.00 0.00 C ATOM 887 C LEU A 59 -8.283 9.456 -9.309 1.00 0.00 C ATOM 888 O LEU A 59 -8.559 9.052 -10.439 1.00 0.00 O ATOM 889 CB LEU A 59 -8.970 7.710 -7.654 1.00 0.00 C ATOM 890 CG LEU A 59 -9.373 6.474 -8.457 1.00 0.00 C ATOM 891 CD1 LEU A 59 -8.891 5.205 -7.769 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.876 6.441 -8.657 1.00 0.00 C ATOM 0 H LEU A 59 -7.503 9.145 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.106 7.786 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.717 7.402 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.830 8.375 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.898 6.528 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.188 4.337 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.805 5.229 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.334 5.139 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.147 5.555 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.372 6.411 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.191 7.334 -9.198 1.00 0.00 H new ATOM 904 N GLU A 60 -8.366 10.733 -8.960 1.00 0.00 N ATOM 905 CA GLU A 60 -8.794 11.749 -9.912 1.00 0.00 C ATOM 906 C GLU A 60 -7.587 12.414 -10.561 1.00 0.00 C ATOM 907 O GLU A 60 -7.725 13.217 -11.484 1.00 0.00 O ATOM 908 CB GLU A 60 -9.665 12.800 -9.221 1.00 0.00 C ATOM 909 CG GLU A 60 -10.710 12.207 -8.293 1.00 0.00 C ATOM 910 CD GLU A 60 -12.021 11.919 -8.997 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.651 12.876 -9.494 1.00 0.00 O ATOM 912 OE2 GLU A 60 -12.419 10.736 -9.051 1.00 0.00 O ATOM 0 H GLU A 60 -8.144 11.089 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.385 11.262 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.025 13.473 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.165 13.402 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.324 11.284 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.889 12.895 -7.467 1.00 0.00 H new ATOM 919 N SER A 61 -6.402 12.057 -10.077 1.00 0.00 N ATOM 920 CA SER A 61 -5.157 12.604 -10.603 1.00 0.00 C ATOM 921 C SER A 61 -4.242 11.485 -11.091 1.00 0.00 C ATOM 922 O SER A 61 -3.317 11.090 -10.390 1.00 0.00 O ATOM 923 CB SER A 61 -4.438 13.416 -9.521 1.00 0.00 C ATOM 924 OG SER A 61 -4.991 14.716 -9.404 1.00 0.00 O ATOM 0 H SER A 61 -6.278 11.388 -9.317 1.00 0.00 H new ATOM 0 HA SER A 61 -5.399 13.255 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.513 12.899 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.377 13.489 -9.762 1.00 0.00 H new ATOM 0 HG SER A 61 -4.515 15.212 -8.706 1.00 0.00 H new ATOM 930 N PRO A 62 -4.491 10.946 -12.295 1.00 0.00 N ATOM 931 CA PRO A 62 -3.674 9.864 -12.855 1.00 0.00 C ATOM 932 C PRO A 62 -2.193 10.230 -12.911 1.00 0.00 C ATOM 933 O PRO A 62 -1.325 9.375 -12.735 1.00 0.00 O ATOM 934 CB PRO A 62 -4.234 9.670 -14.271 1.00 0.00 C ATOM 935 CG PRO A 62 -5.057 10.886 -14.543 1.00 0.00 C ATOM 936 CD PRO A 62 -5.569 11.347 -13.211 1.00 0.00 C ATOM 0 HA PRO A 62 -3.725 8.963 -12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.431 9.568 -15.001 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.838 8.765 -14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.459 11.662 -15.021 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.881 10.656 -15.219 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.737 12.424 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.516 10.872 -12.955 1.00 0.00 H new ATOM 944 N GLU A 63 -1.914 11.505 -13.163 1.00 0.00 N ATOM 945 CA GLU A 63 -0.541 11.989 -13.258 1.00 0.00 C ATOM 946 C GLU A 63 0.092 12.185 -11.881 1.00 0.00 C ATOM 947 O GLU A 63 1.217 11.742 -11.640 1.00 0.00 O ATOM 948 CB GLU A 63 -0.502 13.306 -14.037 1.00 0.00 C ATOM 949 CG GLU A 63 -1.322 13.281 -15.316 1.00 0.00 C ATOM 950 CD GLU A 63 -0.973 14.418 -16.256 1.00 0.00 C ATOM 951 OE1 GLU A 63 -1.363 15.569 -15.965 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.309 14.158 -17.280 1.00 0.00 O ATOM 0 H GLU A 63 -2.623 12.224 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 63 0.038 11.231 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.868 14.108 -13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.533 13.542 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.163 12.331 -15.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.381 13.335 -15.065 1.00 0.00 H new ATOM 959 N SER A 64 -0.616 12.875 -10.992 1.00 0.00 N ATOM 960 CA SER A 64 -0.095 13.162 -9.658 1.00 0.00 C ATOM 961 C SER A 64 -0.005 11.898 -8.813 1.00 0.00 C ATOM 962 O SER A 64 0.999 11.654 -8.143 1.00 0.00 O ATOM 963 CB SER A 64 -0.985 14.189 -8.955 1.00 0.00 C ATOM 964 OG SER A 64 -1.189 15.331 -9.769 1.00 0.00 O ATOM 0 H SER A 64 -1.550 13.245 -11.170 1.00 0.00 H new ATOM 0 HA SER A 64 0.910 13.568 -9.773 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.946 13.736 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.526 14.488 -8.013 1.00 0.00 H new ATOM 0 HG SER A 64 -1.762 15.971 -9.297 1.00 0.00 H new ATOM 970 N LEU A 65 -1.067 11.108 -8.843 1.00 0.00 N ATOM 971 CA LEU A 65 -1.144 9.881 -8.065 1.00 0.00 C ATOM 972 C LEU A 65 -0.026 8.907 -8.431 1.00 0.00 C ATOM 973 O LEU A 65 0.773 8.523 -7.576 1.00 0.00 O ATOM 974 CB LEU A 65 -2.509 9.220 -8.278 1.00 0.00 C ATOM 975 CG LEU A 65 -2.489 7.697 -8.394 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.259 7.073 -7.031 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.778 7.188 -9.013 1.00 0.00 C ATOM 0 H LEU A 65 -1.897 11.298 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.022 10.141 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.160 9.496 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.955 9.631 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.667 7.408 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.247 5.987 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.304 7.413 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.061 7.369 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.742 6.101 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.622 7.482 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.897 7.615 -10.009 1.00 0.00 H new ATOM 989 N ARG A 66 -0.005 8.473 -9.689 1.00 0.00 N ATOM 990 CA ARG A 66 0.981 7.500 -10.146 1.00 0.00 C ATOM 991 C ARG A 66 2.391 7.926 -9.767 1.00 0.00 C ATOM 992 O ARG A 66 3.247 7.086 -9.495 1.00 0.00 O ATOM 993 CB ARG A 66 0.877 7.299 -11.656 1.00 0.00 C ATOM 994 CG ARG A 66 1.106 5.860 -12.090 1.00 0.00 C ATOM 995 CD ARG A 66 -0.117 5.286 -12.787 1.00 0.00 C ATOM 996 NE ARG A 66 0.223 4.157 -13.650 1.00 0.00 N ATOM 997 CZ ARG A 66 0.250 4.227 -14.977 1.00 0.00 C ATOM 998 NH1 ARG A 66 -0.044 5.364 -15.593 1.00 0.00 N ATOM 999 NH2 ARG A 66 0.569 3.155 -15.692 1.00 0.00 N ATOM 0 H ARG A 66 -0.659 8.780 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 66 0.768 6.553 -9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.110 7.619 -11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.605 7.941 -12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.964 5.814 -12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.349 5.251 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.843 4.965 -12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.595 6.065 -13.381 1.00 0.00 H new ATOM 0 HE ARG A 66 0.452 3.266 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.292 6.190 -15.048 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.022 5.413 -16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.793 2.277 -15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.590 3.209 -16.710 1.00 0.00 H new ATOM 1013 N SER A 67 2.624 9.234 -9.724 1.00 0.00 N ATOM 1014 CA SER A 67 3.929 9.759 -9.338 1.00 0.00 C ATOM 1015 C SER A 67 4.242 9.387 -7.890 1.00 0.00 C ATOM 1016 O SER A 67 5.356 8.970 -7.566 1.00 0.00 O ATOM 1017 CB SER A 67 3.963 11.279 -9.509 1.00 0.00 C ATOM 1018 OG SER A 67 5.274 11.784 -9.326 1.00 0.00 O ATOM 0 H SER A 67 1.930 9.947 -9.950 1.00 0.00 H new ATOM 0 HA SER A 67 4.686 9.317 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.603 11.544 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.287 11.744 -8.791 1.00 0.00 H new ATOM 0 HG SER A 67 5.269 12.757 -9.442 1.00 0.00 H new ATOM 1024 N LYS A 68 3.236 9.518 -7.029 1.00 0.00 N ATOM 1025 CA LYS A 68 3.386 9.190 -5.622 1.00 0.00 C ATOM 1026 C LYS A 68 3.617 7.695 -5.435 1.00 0.00 C ATOM 1027 O LYS A 68 4.631 7.282 -4.871 1.00 0.00 O ATOM 1028 CB LYS A 68 2.141 9.626 -4.849 1.00 0.00 C ATOM 1029 CG LYS A 68 2.290 9.483 -3.346 1.00 0.00 C ATOM 1030 CD LYS A 68 1.022 8.945 -2.703 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.124 9.935 -2.822 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.194 11.234 -2.167 1.00 0.00 N ATOM 0 H LYS A 68 2.307 9.851 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 68 4.255 9.723 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.918 10.666 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.289 9.033 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.122 8.814 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.536 10.452 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.743 8.004 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.210 8.728 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.349 10.105 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.020 9.510 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.680 11.661 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.857 11.074 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.628 11.876 -2.861 1.00 0.00 H new ATOM 1046 N VAL A 69 2.674 6.886 -5.913 1.00 0.00 N ATOM 1047 CA VAL A 69 2.791 5.436 -5.798 1.00 0.00 C ATOM 1048 C VAL A 69 4.013 4.934 -6.559 1.00 0.00 C ATOM 1049 O VAL A 69 4.536 3.859 -6.269 1.00 0.00 O ATOM 1050 CB VAL A 69 1.522 4.714 -6.292 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.731 3.206 -6.336 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.342 5.056 -5.395 1.00 0.00 C ATOM 0 H VAL A 69 1.826 7.208 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 69 2.911 5.205 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 69 1.310 5.055 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.820 2.722 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.551 2.972 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.972 2.843 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.549 4.540 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.558 4.741 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.171 6.132 -5.414 1.00 0.00 H new ATOM 1062 N ASP A 70 4.497 5.735 -7.508 1.00 0.00 N ATOM 1063 CA ASP A 70 5.707 5.383 -8.237 1.00 0.00 C ATOM 1064 C ASP A 70 6.824 5.123 -7.239 1.00 0.00 C ATOM 1065 O ASP A 70 7.478 4.079 -7.272 1.00 0.00 O ATOM 1066 CB ASP A 70 6.111 6.502 -9.199 1.00 0.00 C ATOM 1067 CG ASP A 70 7.479 6.274 -9.812 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.788 5.115 -10.163 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.242 7.254 -9.941 1.00 0.00 O ATOM 0 H ASP A 70 4.073 6.621 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 70 5.520 4.486 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.369 6.580 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.109 7.453 -8.667 1.00 0.00 H new ATOM 1074 N GLU A 71 6.987 6.055 -6.304 1.00 0.00 N ATOM 1075 CA GLU A 71 7.967 5.899 -5.242 1.00 0.00 C ATOM 1076 C GLU A 71 7.534 4.783 -4.298 1.00 0.00 C ATOM 1077 O GLU A 71 8.366 4.108 -3.695 1.00 0.00 O ATOM 1078 CB GLU A 71 8.135 7.203 -4.465 1.00 0.00 C ATOM 1079 CG GLU A 71 9.429 7.266 -3.673 1.00 0.00 C ATOM 1080 CD GLU A 71 10.452 8.195 -4.297 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.540 8.230 -5.543 1.00 0.00 O ATOM 1082 OE2 GLU A 71 11.163 8.889 -3.542 1.00 0.00 O ATOM 0 H GLU A 71 6.453 6.923 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 71 8.926 5.640 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.102 8.040 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.293 7.323 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.213 7.599 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.853 6.265 -3.596 1.00 0.00 H new ATOM 1089 N ALA A 72 6.220 4.592 -4.186 1.00 0.00 N ATOM 1090 CA ALA A 72 5.669 3.533 -3.351 1.00 0.00 C ATOM 1091 C ALA A 72 6.155 2.175 -3.840 1.00 0.00 C ATOM 1092 O ALA A 72 6.462 1.287 -3.045 1.00 0.00 O ATOM 1093 CB ALA A 72 4.151 3.595 -3.348 1.00 0.00 C ATOM 0 H ALA A 72 5.520 5.159 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 72 6.015 3.675 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.756 2.797 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.827 4.559 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.780 3.473 -4.366 1.00 0.00 H new ATOM 1099 N VAL A 73 6.245 2.034 -5.158 1.00 0.00 N ATOM 1100 CA VAL A 73 6.760 0.815 -5.761 1.00 0.00 C ATOM 1101 C VAL A 73 8.227 0.648 -5.381 1.00 0.00 C ATOM 1102 O VAL A 73 8.728 -0.468 -5.245 1.00 0.00 O ATOM 1103 CB VAL A 73 6.612 0.845 -7.302 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.610 -0.091 -7.969 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.185 0.497 -7.712 1.00 0.00 C ATOM 0 H VAL A 73 5.967 2.751 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 73 6.181 -0.030 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 73 6.829 1.858 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.482 -0.048 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.624 0.215 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.440 -1.111 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.102 0.524 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.937 -0.502 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.495 1.220 -7.278 1.00 0.00 H new ATOM 1115 N ALA A 74 8.892 1.781 -5.167 1.00 0.00 N ATOM 1116 CA ALA A 74 10.298 1.790 -4.783 1.00 0.00 C ATOM 1117 C ALA A 74 10.479 1.343 -3.333 1.00 0.00 C ATOM 1118 O ALA A 74 11.432 0.634 -3.013 1.00 0.00 O ATOM 1119 CB ALA A 74 10.893 3.174 -4.990 1.00 0.00 C ATOM 0 H ALA A 74 8.476 2.708 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 74 10.826 1.081 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.943 3.166 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.810 3.452 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.353 3.897 -4.379 1.00 0.00 H new ATOM 1125 N VAL A 75 9.566 1.767 -2.456 1.00 0.00 N ATOM 1126 CA VAL A 75 9.637 1.386 -1.046 1.00 0.00 C ATOM 1127 C VAL A 75 9.612 -0.133 -0.912 1.00 0.00 C ATOM 1128 O VAL A 75 10.202 -0.700 0.006 1.00 0.00 O ATOM 1129 CB VAL A 75 8.486 2.003 -0.209 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.085 3.361 -0.764 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.285 1.069 -0.149 1.00 0.00 C ATOM 0 H VAL A 75 8.777 2.368 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 75 10.575 1.779 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 75 8.851 2.142 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.276 3.776 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.942 4.034 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.749 3.248 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.495 1.530 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.918 0.882 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.580 0.125 0.310 1.00 0.00 H new ATOM 1141 N LEU A 76 8.938 -0.784 -1.857 1.00 0.00 N ATOM 1142 CA LEU A 76 8.850 -2.237 -1.877 1.00 0.00 C ATOM 1143 C LEU A 76 10.194 -2.840 -2.261 1.00 0.00 C ATOM 1144 O LEU A 76 10.721 -3.707 -1.564 1.00 0.00 O ATOM 1145 CB LEU A 76 7.765 -2.685 -2.867 1.00 0.00 C ATOM 1146 CG LEU A 76 7.536 -4.199 -2.973 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.565 -4.835 -3.898 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.569 -4.855 -1.599 1.00 0.00 C ATOM 0 H LEU A 76 8.444 -0.323 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 76 8.583 -2.587 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.824 -2.214 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.024 -2.306 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 76 6.546 -4.360 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.385 -5.908 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.481 -4.396 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.566 -4.657 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.404 -5.927 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.540 -4.681 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.786 -4.427 -0.973 1.00 0.00 H new ATOM 1160 N GLN A 77 10.737 -2.378 -3.382 1.00 0.00 N ATOM 1161 CA GLN A 77 12.024 -2.859 -3.867 1.00 0.00 C ATOM 1162 C GLN A 77 13.101 -2.678 -2.802 1.00 0.00 C ATOM 1163 O GLN A 77 14.011 -3.498 -2.677 1.00 0.00 O ATOM 1164 CB GLN A 77 12.416 -2.114 -5.144 1.00 0.00 C ATOM 1165 CG GLN A 77 11.504 -2.410 -6.324 1.00 0.00 C ATOM 1166 CD GLN A 77 11.651 -3.830 -6.835 1.00 0.00 C ATOM 1167 OE1 GLN A 77 11.183 -4.779 -6.207 1.00 0.00 O ATOM 1168 NE2 GLN A 77 12.301 -3.980 -7.983 1.00 0.00 N ATOM 0 H GLN A 77 10.304 -1.669 -3.973 1.00 0.00 H new ATOM 0 HA GLN A 77 11.934 -3.922 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.406 -1.042 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.439 -2.379 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.469 -2.240 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.724 -1.713 -7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.672 -3.164 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.429 -4.911 -8.379 1.00 0.00 H new ATOM 1177 N ALA A 78 12.982 -1.602 -2.032 1.00 0.00 N ATOM 1178 CA ALA A 78 13.928 -1.315 -0.961 1.00 0.00 C ATOM 1179 C ALA A 78 13.595 -2.127 0.288 1.00 0.00 C ATOM 1180 O ALA A 78 14.454 -2.365 1.135 1.00 0.00 O ATOM 1181 CB ALA A 78 13.931 0.172 -0.643 1.00 0.00 C ATOM 0 H ALA A 78 12.237 -0.912 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 78 14.924 -1.602 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.642 0.371 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.219 0.734 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.934 0.479 -0.328 1.00 0.00 H new ATOM 1187 N HIS A 79 12.336 -2.545 0.393 1.00 0.00 N ATOM 1188 CA HIS A 79 11.882 -3.333 1.533 1.00 0.00 C ATOM 1189 C HIS A 79 12.476 -4.736 1.494 1.00 0.00 C ATOM 1190 O HIS A 79 13.020 -5.216 2.488 1.00 0.00 O ATOM 1191 CB HIS A 79 10.355 -3.415 1.548 1.00 0.00 C ATOM 1192 CG HIS A 79 9.784 -3.624 2.915 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.961 -2.698 3.915 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.055 -4.660 3.395 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.341 -3.185 4.974 1.00 0.00 C ATOM 1196 NE2 HIS A 79 8.777 -4.371 4.706 1.00 0.00 N ATOM 0 H HIS A 79 11.612 -2.350 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 79 12.221 -2.838 2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.945 -2.497 1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.036 -4.232 0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.752 -5.542 2.851 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.294 -2.691 5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.242 -4.949 5.354 1.00 0.00 H new ATOM 1538 N ASN B 5 10.188 6.388 1.951 1.00 0.00 N ATOM 1539 CA ASN B 5 10.394 7.457 0.981 1.00 0.00 C ATOM 1540 C ASN B 5 9.199 8.405 0.953 1.00 0.00 C ATOM 1541 O ASN B 5 9.345 9.608 1.167 1.00 0.00 O ATOM 1542 CB ASN B 5 10.623 6.869 -0.413 1.00 0.00 C ATOM 1543 CG ASN B 5 12.083 6.555 -0.677 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.652 6.988 -1.679 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.698 5.796 0.224 1.00 0.00 N ATOM 0 HA ASN B 5 11.276 8.022 1.282 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.033 5.959 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.264 7.573 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.680 5.551 0.099 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.188 5.459 1.040 1.00 0.00 H new ATOM 1552 N LEU B 6 8.019 7.854 0.684 1.00 0.00 N ATOM 1553 CA LEU B 6 6.799 8.651 0.632 1.00 0.00 C ATOM 1554 C LEU B 6 6.391 9.104 2.031 1.00 0.00 C ATOM 1555 O LEU B 6 6.724 10.210 2.456 1.00 0.00 O ATOM 1556 CB LEU B 6 5.666 7.845 -0.014 1.00 0.00 C ATOM 1557 CG LEU B 6 4.680 8.656 -0.865 1.00 0.00 C ATOM 1558 CD1 LEU B 6 3.989 9.720 -0.024 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.387 9.288 -2.054 1.00 0.00 C ATOM 0 H LEU B 6 7.882 6.860 0.499 1.00 0.00 H new ATOM 0 HA LEU B 6 6.993 9.536 0.026 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.107 7.069 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.108 7.339 0.774 1.00 0.00 H new ATOM 0 HG LEU B 6 3.919 7.974 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.295 10.283 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.442 9.243 0.789 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.735 10.398 0.390 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.669 9.858 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.174 9.953 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.826 8.506 -2.674 1.00 0.00 H new ATOM 1571 N ASN B 7 5.675 8.240 2.744 1.00 0.00 N ATOM 1572 CA ASN B 7 5.229 8.550 4.097 1.00 0.00 C ATOM 1573 C ASN B 7 6.365 8.371 5.097 1.00 0.00 C ATOM 1574 O ASN B 7 7.121 7.404 5.019 1.00 0.00 O ATOM 1575 CB ASN B 7 4.062 7.646 4.493 1.00 0.00 C ATOM 1576 CG ASN B 7 3.055 8.353 5.378 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.021 7.976 6.650 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.319 9.229 4.924 1.00 0.00 N flip ATOM 0 H ASN B 7 5.392 7.320 2.407 1.00 0.00 H new ATOM 0 HA ASN B 7 4.904 9.590 4.111 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.562 7.288 3.593 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.446 6.769 5.014 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.380 9.486 3.939 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.648 9.697 5.533 1.00 0.00 H new ATOM 1585 N PRO B 8 6.488 9.286 6.073 1.00 0.00 N ATOM 1586 CA PRO B 8 7.526 9.201 7.097 1.00 0.00 C ATOM 1587 C PRO B 8 7.169 8.198 8.188 1.00 0.00 C ATOM 1588 O PRO B 8 7.990 7.880 9.048 1.00 0.00 O ATOM 1589 CB PRO B 8 7.570 10.617 7.663 1.00 0.00 C ATOM 1590 CG PRO B 8 6.179 11.128 7.500 1.00 0.00 C ATOM 1591 CD PRO B 8 5.628 10.473 6.259 1.00 0.00 C ATOM 0 HA PRO B 8 8.480 8.859 6.695 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.872 10.617 8.710 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.286 11.238 7.125 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.571 10.884 8.371 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.173 12.214 7.402 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.582 10.193 6.386 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.677 11.141 5.399 1.00 0.00 H new ATOM 1599 N ASN B 9 5.931 7.717 8.150 1.00 0.00 N ATOM 1600 CA ASN B 9 5.452 6.747 9.127 1.00 0.00 C ATOM 1601 C ASN B 9 4.942 5.487 8.434 1.00 0.00 C ATOM 1602 O ASN B 9 3.779 5.111 8.582 1.00 0.00 O ATOM 1603 CB ASN B 9 4.342 7.362 9.982 1.00 0.00 C ATOM 1604 CG ASN B 9 4.841 8.505 10.844 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.660 8.307 11.743 1.00 0.00 O ATOM 1606 ND2 ASN B 9 4.347 9.708 10.576 1.00 0.00 N ATOM 0 H ASN B 9 5.239 7.985 7.450 1.00 0.00 H new ATOM 0 HA ASN B 9 6.286 6.471 9.772 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.544 7.722 9.332 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.910 6.591 10.620 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.644 10.515 11.124 1.00 0.00 H new ATOM 0 HD22 ASN B 9 3.671 9.825 9.822 1.00 0.00 H new ATOM 1613 N ALA B 10 5.814 4.855 7.656 1.00 0.00 N ATOM 1614 CA ALA B 10 5.457 3.642 6.927 1.00 0.00 C ATOM 1615 C ALA B 10 5.018 2.526 7.873 1.00 0.00 C ATOM 1616 O ALA B 10 5.844 1.766 8.379 1.00 0.00 O ATOM 1617 CB ALA B 10 6.629 3.184 6.068 1.00 0.00 C ATOM 0 H ALA B 10 6.776 5.163 7.513 1.00 0.00 H new ATOM 0 HA ALA B 10 4.611 3.875 6.281 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.352 2.278 5.528 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.885 3.967 5.355 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.489 2.978 6.706 1.00 0.00 H new ATOM 1623 N LYS B 11 3.709 2.426 8.101 1.00 0.00 N ATOM 1624 CA LYS B 11 3.154 1.390 8.969 1.00 0.00 C ATOM 1625 C LYS B 11 2.298 0.421 8.158 1.00 0.00 C ATOM 1626 O LYS B 11 1.374 0.836 7.466 1.00 0.00 O ATOM 1627 CB LYS B 11 2.319 2.017 10.086 1.00 0.00 C ATOM 1628 CG LYS B 11 2.985 3.212 10.747 1.00 0.00 C ATOM 1629 CD LYS B 11 2.633 3.301 12.223 1.00 0.00 C ATOM 1630 CE LYS B 11 3.497 4.325 12.940 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.824 5.650 13.040 1.00 0.00 N ATOM 0 H LYS B 11 3.013 3.051 7.696 1.00 0.00 H new ATOM 0 HA LYS B 11 3.981 0.839 9.418 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.357 2.328 9.678 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.115 1.261 10.844 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.066 3.136 10.634 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.676 4.127 10.242 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.582 3.569 12.332 1.00 0.00 H new ATOM 0 HD3 LYS B 11 2.762 2.324 12.689 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.734 3.962 13.940 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.442 4.437 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.529 6.381 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.367 5.876 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.106 5.619 13.792 1.00 0.00 H new ATOM 1645 N GLU B 12 2.617 -0.867 8.254 1.00 0.00 N ATOM 1646 CA GLU B 12 1.919 -1.909 7.500 1.00 0.00 C ATOM 1647 C GLU B 12 0.397 -1.797 7.605 1.00 0.00 C ATOM 1648 O GLU B 12 -0.133 -1.060 8.437 1.00 0.00 O ATOM 1649 CB GLU B 12 2.364 -3.290 7.987 1.00 0.00 C ATOM 1650 CG GLU B 12 3.590 -3.822 7.264 1.00 0.00 C ATOM 1651 CD GLU B 12 4.710 -4.196 8.215 1.00 0.00 C ATOM 1652 OE1 GLU B 12 5.015 -3.391 9.119 1.00 0.00 O ATOM 1653 OE2 GLU B 12 5.281 -5.296 8.056 1.00 0.00 O ATOM 0 H GLU B 12 3.363 -1.219 8.854 1.00 0.00 H new ATOM 0 HA GLU B 12 2.183 -1.773 6.451 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.576 -3.239 9.055 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.542 -3.994 7.858 1.00 0.00 H new ATOM 0 HG2 GLU B 12 3.310 -4.696 6.676 1.00 0.00 H new ATOM 0 HG3 GLU B 12 3.950 -3.069 6.563 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.295 -2.568 6.764 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.756 -2.595 6.746 1.00 0.00 C ATOM 1662 C PHE B 13 -2.272 -3.624 7.743 1.00 0.00 C ATOM 1663 O PHE B 13 -2.606 -4.750 7.372 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.252 -2.942 5.333 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.616 -2.402 4.985 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.396 -1.749 5.929 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.119 -2.557 3.698 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.642 -1.254 5.594 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.364 -2.062 3.361 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.122 -1.408 4.308 1.00 0.00 C ATOM 0 H PHE B 13 0.140 -3.188 6.080 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.133 -1.612 7.027 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.532 -2.562 4.608 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.269 -4.027 5.227 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.025 -1.626 6.936 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.529 -3.070 2.953 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.240 -0.747 6.337 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.743 -2.187 2.357 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.093 -1.015 4.044 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.773 2.754 9.460 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.256 3.977 8.853 1.00 0.00 C ATOM 1735 C LYS B 18 -7.904 4.345 9.452 1.00 0.00 C ATOM 1736 O LYS B 18 -7.828 5.059 10.452 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.244 5.130 9.046 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.914 5.140 10.411 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.425 5.236 10.288 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.080 5.489 11.636 1.00 0.00 C ATOM 1741 NZ LYS B 18 -13.996 4.381 12.023 1.00 0.00 N ATOM 0 HA LYS B 18 -9.128 3.798 7.786 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.719 6.074 8.902 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.012 5.071 8.275 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.649 4.233 10.954 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.541 5.982 10.995 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.684 6.041 9.600 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.815 4.312 9.860 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.310 5.606 12.398 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.637 6.425 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.423 4.591 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.746 4.285 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.460 3.492 12.083 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.838 3.849 8.834 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.486 4.113 9.310 1.00 0.00 C ATOM 1757 C TYR B 19 -5.024 5.505 8.898 1.00 0.00 C ATOM 1758 O TYR B 19 -5.039 5.852 7.717 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.522 3.051 8.768 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.337 2.765 9.669 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.288 3.241 10.977 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.271 2.002 9.212 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.207 2.972 11.795 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.188 1.727 10.024 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.160 2.215 11.314 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.085 1.941 12.126 1.00 0.00 O ATOM 0 H TYR B 19 -6.884 3.261 8.002 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.491 4.067 10.399 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.074 2.125 8.608 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.153 3.375 7.795 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.109 3.830 11.359 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.289 1.616 8.203 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.183 3.353 12.805 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.367 1.133 9.651 1.00 0.00 H new ATOM 0 HH TYR B 19 0.103 0.979 12.107 1.00 0.00 H new