USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 31 SER OG : rot 24:sc= 0.61 USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0.174 USER MOD Single : A 13 HIS : no HD1:sc= 0.162 K(o=0.16,f=-3.3!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.117 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 33 MET CE :methyl 152:sc= -1.09 (180deg=-4.45!) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.14 F(o=-2.3!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot -71:sc= 1.01 USER MOD Single : A 52 TYR OH : rot 47:sc= -1.42! USER MOD Single : A 56 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.5) USER MOD Single : A 59 HIS : +bothHN:sc= -0.432 K(o=-0.43,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc=-0.00715 (180deg=-0.0858) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.888 (180deg=0.888) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0675 (180deg=-0.343) USER MOD Single : A 66 TYR OH : rot 130:sc= -5.14! USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.0378 (180deg=-0.39) USER MOD Single : A 73 SER OG : rot 180:sc= 0.124 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 86 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.11) USER MOD Single : A 89 GLN : amide:sc= -3.32! C(o=-3.3!,f=-11!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.4!) USER MOD Single : A 103 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.85) USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 137 N GLU A 9 -15.240 2.814 -7.780 1.00 5.32 N ATOM 138 CA GLU A 9 -14.866 3.901 -6.902 1.00 12.54 C ATOM 139 C GLU A 9 -13.509 3.565 -6.308 1.00 74.22 C ATOM 140 O GLU A 9 -13.158 4.023 -5.242 1.00 33.10 O ATOM 141 CB GLU A 9 -15.901 3.977 -5.777 1.00 60.23 C ATOM 142 CG GLU A 9 -17.338 4.164 -6.260 1.00 60.30 C ATOM 143 CD GLU A 9 -18.351 3.933 -5.166 1.00 31.22 C ATOM 144 OE1 GLU A 9 -18.662 4.876 -4.420 1.00 52.55 O ATOM 145 OE2 GLU A 9 -18.860 2.785 -5.040 1.00 2.34 O ATOM 0 HA GLU A 9 -14.823 4.850 -7.436 1.00 12.54 H new ATOM 0 HB2 GLU A 9 -15.845 3.064 -5.184 1.00 60.23 H new ATOM 0 HB3 GLU A 9 -15.642 4.803 -5.115 1.00 60.23 H new ATOM 0 HG2 GLU A 9 -17.457 5.174 -6.653 1.00 60.30 H new ATOM 0 HG3 GLU A 9 -17.534 3.476 -7.083 1.00 60.30 H new ATOM 152 N LEU A 10 -12.754 2.771 -7.026 1.00 33.53 N ATOM 153 CA LEU A 10 -11.476 2.301 -6.553 1.00 21.53 C ATOM 154 C LEU A 10 -10.395 3.297 -6.910 1.00 40.43 C ATOM 155 O LEU A 10 -10.112 3.513 -8.099 1.00 54.22 O ATOM 156 CB LEU A 10 -11.129 0.933 -7.171 1.00 41.55 C ATOM 157 CG LEU A 10 -12.133 -0.212 -6.963 1.00 65.22 C ATOM 158 CD1 LEU A 10 -11.617 -1.487 -7.609 1.00 33.42 C ATOM 159 CD2 LEU A 10 -12.410 -0.443 -5.490 1.00 50.23 C ATOM 0 H LEU A 10 -13.008 2.433 -7.954 1.00 33.53 H new ATOM 0 HA LEU A 10 -11.536 2.193 -5.470 1.00 21.53 H new ATOM 0 HB2 LEU A 10 -10.994 1.072 -8.244 1.00 41.55 H new ATOM 0 HB3 LEU A 10 -10.167 0.615 -6.768 1.00 41.55 H new ATOM 0 HG LEU A 10 -13.071 0.073 -7.439 1.00 65.22 H new ATOM 0 HD11 LEU A 10 -12.337 -2.290 -7.455 1.00 33.42 H new ATOM 0 HD12 LEU A 10 -11.479 -1.323 -8.678 1.00 33.42 H new ATOM 0 HD13 LEU A 10 -10.664 -1.763 -7.159 1.00 33.42 H new ATOM 0 HD21 LEU A 10 -13.124 -1.259 -5.378 1.00 50.23 H new ATOM 0 HD22 LEU A 10 -11.481 -0.701 -4.981 1.00 50.23 H new ATOM 0 HD23 LEU A 10 -12.824 0.465 -5.051 1.00 50.23 H new ATOM 171 N GLU A 11 -9.823 3.908 -5.908 1.00 70.03 N ATOM 172 CA GLU A 11 -8.735 4.845 -6.088 1.00 34.12 C ATOM 173 C GLU A 11 -7.579 4.446 -5.212 1.00 3.44 C ATOM 174 O GLU A 11 -7.680 4.473 -3.995 1.00 24.14 O ATOM 175 CB GLU A 11 -9.149 6.272 -5.728 1.00 41.10 C ATOM 176 CG GLU A 11 -10.212 6.887 -6.603 1.00 44.34 C ATOM 177 CD GLU A 11 -10.450 8.329 -6.238 1.00 32.22 C ATOM 178 OE1 GLU A 11 -9.570 9.175 -6.536 1.00 61.30 O ATOM 179 OE2 GLU A 11 -11.498 8.652 -5.636 1.00 64.20 O ATOM 0 H GLU A 11 -10.097 3.772 -4.935 1.00 70.03 H new ATOM 0 HA GLU A 11 -8.451 4.822 -7.140 1.00 34.12 H new ATOM 0 HB2 GLU A 11 -9.505 6.278 -4.698 1.00 41.10 H new ATOM 0 HB3 GLU A 11 -8.264 6.907 -5.763 1.00 41.10 H new ATOM 0 HG2 GLU A 11 -9.911 6.819 -7.648 1.00 44.34 H new ATOM 0 HG3 GLU A 11 -11.141 6.325 -6.501 1.00 44.34 H new ATOM 186 N VAL A 12 -6.497 4.070 -5.801 1.00 50.21 N ATOM 187 CA VAL A 12 -5.345 3.696 -5.035 1.00 63.44 C ATOM 188 C VAL A 12 -4.293 4.740 -5.272 1.00 4.12 C ATOM 189 O VAL A 12 -3.915 4.992 -6.415 1.00 60.42 O ATOM 190 CB VAL A 12 -4.786 2.328 -5.461 1.00 63.31 C ATOM 191 CG1 VAL A 12 -3.831 1.789 -4.412 1.00 53.22 C ATOM 192 CG2 VAL A 12 -5.889 1.348 -5.740 1.00 54.43 C ATOM 0 H VAL A 12 -6.379 4.011 -6.812 1.00 50.21 H new ATOM 0 HA VAL A 12 -5.627 3.623 -3.985 1.00 63.44 H new ATOM 0 HB VAL A 12 -4.231 2.468 -6.388 1.00 63.31 H new ATOM 0 HG11 VAL A 12 -3.447 0.821 -4.733 1.00 53.22 H new ATOM 0 HG12 VAL A 12 -3.001 2.484 -4.284 1.00 53.22 H new ATOM 0 HG13 VAL A 12 -4.358 1.675 -3.465 1.00 53.22 H new ATOM 0 HG21 VAL A 12 -5.459 0.392 -6.038 1.00 54.43 H new ATOM 0 HG22 VAL A 12 -6.490 1.211 -4.841 1.00 54.43 H new ATOM 0 HG23 VAL A 12 -6.520 1.729 -6.543 1.00 54.43 H new ATOM 202 N HIS A 13 -3.846 5.365 -4.230 1.00 21.12 N ATOM 203 CA HIS A 13 -2.853 6.407 -4.364 1.00 51.15 C ATOM 204 C HIS A 13 -2.005 6.458 -3.125 1.00 70.43 C ATOM 205 O HIS A 13 -2.477 6.126 -2.040 1.00 74.22 O ATOM 206 CB HIS A 13 -3.513 7.794 -4.643 1.00 44.25 C ATOM 207 CG HIS A 13 -4.355 8.366 -3.521 1.00 14.33 C ATOM 208 ND1 HIS A 13 -4.179 9.637 -3.032 1.00 3.15 N ATOM 209 CD2 HIS A 13 -5.402 7.848 -2.828 1.00 13.44 C ATOM 210 CE1 HIS A 13 -5.065 9.877 -2.098 1.00 71.23 C ATOM 211 NE2 HIS A 13 -5.820 8.813 -1.949 1.00 54.02 N ATOM 0 H HIS A 13 -4.146 5.179 -3.273 1.00 21.12 H new ATOM 0 HA HIS A 13 -2.221 6.173 -5.221 1.00 51.15 H new ATOM 0 HB2 HIS A 13 -2.724 8.508 -4.879 1.00 44.25 H new ATOM 0 HB3 HIS A 13 -4.139 7.704 -5.531 1.00 44.25 H new ATOM 0 HD2 HIS A 13 -5.825 6.862 -2.947 1.00 13.44 H new ATOM 0 HE1 HIS A 13 -5.159 10.798 -1.542 1.00 71.23 H new ATOM 0 HE2 HIS A 13 -6.591 8.720 -1.288 1.00 54.02 H new ATOM 220 N ILE A 14 -0.775 6.840 -3.281 1.00 41.45 N ATOM 221 CA ILE A 14 0.124 6.988 -2.159 1.00 40.20 C ATOM 222 C ILE A 14 0.263 8.488 -1.868 1.00 25.43 C ATOM 223 O ILE A 14 1.021 9.187 -2.542 1.00 11.42 O ATOM 224 CB ILE A 14 1.521 6.366 -2.469 1.00 52.55 C ATOM 225 CG1 ILE A 14 1.362 4.896 -2.912 1.00 52.44 C ATOM 226 CG2 ILE A 14 2.440 6.459 -1.249 1.00 14.21 C ATOM 227 CD1 ILE A 14 2.672 4.189 -3.209 1.00 20.10 C ATOM 0 H ILE A 14 -0.358 7.060 -4.186 1.00 41.45 H new ATOM 0 HA ILE A 14 -0.277 6.462 -1.293 1.00 40.20 H new ATOM 0 HB ILE A 14 1.977 6.931 -3.282 1.00 52.55 H new ATOM 0 HG12 ILE A 14 0.836 4.348 -2.131 1.00 52.44 H new ATOM 0 HG13 ILE A 14 0.734 4.863 -3.803 1.00 52.44 H new ATOM 0 HG21 ILE A 14 3.408 6.019 -1.488 1.00 14.21 H new ATOM 0 HG22 ILE A 14 2.575 7.505 -0.974 1.00 14.21 H new ATOM 0 HG23 ILE A 14 1.993 5.919 -0.414 1.00 14.21 H new ATOM 0 HD11 ILE A 14 2.470 3.162 -3.513 1.00 20.10 H new ATOM 0 HD12 ILE A 14 3.192 4.710 -4.013 1.00 20.10 H new ATOM 0 HD13 ILE A 14 3.295 4.187 -2.315 1.00 20.10 H new ATOM 239 N PRO A 15 -0.515 9.023 -0.899 1.00 65.55 N ATOM 240 CA PRO A 15 -0.554 10.461 -0.641 1.00 1.15 C ATOM 241 C PRO A 15 0.702 11.023 0.027 1.00 20.03 C ATOM 242 O PRO A 15 1.065 12.183 -0.200 1.00 5.22 O ATOM 243 CB PRO A 15 -1.771 10.628 0.276 1.00 74.24 C ATOM 244 CG PRO A 15 -1.903 9.317 0.974 1.00 31.42 C ATOM 245 CD PRO A 15 -1.421 8.273 0.003 1.00 32.14 C ATOM 0 HA PRO A 15 -0.613 11.015 -1.578 1.00 1.15 H new ATOM 0 HB2 PRO A 15 -1.623 11.441 0.986 1.00 74.24 H new ATOM 0 HB3 PRO A 15 -2.668 10.864 -0.296 1.00 74.24 H new ATOM 0 HG2 PRO A 15 -1.310 9.301 1.888 1.00 31.42 H new ATOM 0 HG3 PRO A 15 -2.938 9.132 1.262 1.00 31.42 H new ATOM 0 HD2 PRO A 15 -0.898 7.463 0.512 1.00 32.14 H new ATOM 0 HD3 PRO A 15 -2.249 7.823 -0.545 1.00 32.14 H new ATOM 253 N SER A 16 1.371 10.231 0.839 1.00 11.10 N ATOM 254 CA SER A 16 2.541 10.708 1.545 1.00 13.51 C ATOM 255 C SER A 16 3.507 9.567 1.863 1.00 64.13 C ATOM 256 O SER A 16 3.087 8.406 2.062 1.00 52.42 O ATOM 257 CB SER A 16 2.120 11.433 2.836 1.00 53.21 C ATOM 258 OG SER A 16 1.264 12.534 2.547 1.00 11.31 O ATOM 0 H SER A 16 1.126 9.259 1.026 1.00 11.10 H new ATOM 0 HA SER A 16 3.063 11.411 0.896 1.00 13.51 H new ATOM 0 HB2 SER A 16 1.609 10.735 3.499 1.00 53.21 H new ATOM 0 HB3 SER A 16 3.006 11.785 3.365 1.00 53.21 H new ATOM 0 HG SER A 16 1.009 12.978 3.383 1.00 11.31 H new ATOM 264 N VAL A 17 4.788 9.894 1.883 1.00 35.14 N ATOM 265 CA VAL A 17 5.844 8.947 2.188 1.00 75.32 C ATOM 266 C VAL A 17 6.838 9.649 3.102 1.00 33.11 C ATOM 267 O VAL A 17 7.106 10.843 2.922 1.00 61.44 O ATOM 268 CB VAL A 17 6.610 8.488 0.907 1.00 24.13 C ATOM 269 CG1 VAL A 17 7.588 7.369 1.231 1.00 51.31 C ATOM 270 CG2 VAL A 17 5.669 8.076 -0.208 1.00 23.50 C ATOM 0 H VAL A 17 5.127 10.836 1.685 1.00 35.14 H new ATOM 0 HA VAL A 17 5.397 8.066 2.650 1.00 75.32 H new ATOM 0 HB VAL A 17 7.175 9.348 0.548 1.00 24.13 H new ATOM 0 HG11 VAL A 17 8.109 7.067 0.323 1.00 51.31 H new ATOM 0 HG12 VAL A 17 8.313 7.721 1.965 1.00 51.31 H new ATOM 0 HG13 VAL A 17 7.044 6.517 1.638 1.00 51.31 H new ATOM 0 HG21 VAL A 17 6.249 7.765 -1.077 1.00 23.50 H new ATOM 0 HG22 VAL A 17 5.047 7.247 0.129 1.00 23.50 H new ATOM 0 HG23 VAL A 17 5.034 8.920 -0.478 1.00 23.50 H new ATOM 280 N GLY A 18 7.378 8.941 4.059 1.00 3.44 N ATOM 281 CA GLY A 18 8.305 9.552 4.965 1.00 75.50 C ATOM 282 C GLY A 18 9.163 8.538 5.662 1.00 33.21 C ATOM 283 O GLY A 18 8.832 7.343 5.669 1.00 3.44 O ATOM 0 H GLY A 18 7.193 7.952 4.228 1.00 3.44 H new ATOM 0 HA2 GLY A 18 8.940 10.249 4.418 1.00 75.50 H new ATOM 0 HA3 GLY A 18 7.757 10.134 5.706 1.00 75.50 H new ATOM 287 N PRO A 19 10.294 8.960 6.213 1.00 41.22 N ATOM 288 CA PRO A 19 11.155 8.091 6.974 1.00 74.52 C ATOM 289 C PRO A 19 10.540 7.788 8.344 1.00 51.45 C ATOM 290 O PRO A 19 10.124 8.695 9.073 1.00 73.00 O ATOM 291 CB PRO A 19 12.453 8.883 7.094 1.00 22.43 C ATOM 292 CG PRO A 19 12.043 10.310 7.004 1.00 64.24 C ATOM 293 CD PRO A 19 10.819 10.339 6.137 1.00 24.14 C ATOM 0 HA PRO A 19 11.311 7.119 6.506 1.00 74.52 H new ATOM 0 HB2 PRO A 19 12.956 8.676 8.039 1.00 22.43 H new ATOM 0 HB3 PRO A 19 13.150 8.622 6.298 1.00 22.43 H new ATOM 0 HG2 PRO A 19 11.830 10.717 7.992 1.00 64.24 H new ATOM 0 HG3 PRO A 19 12.839 10.918 6.574 1.00 64.24 H new ATOM 0 HD2 PRO A 19 10.090 11.064 6.500 1.00 24.14 H new ATOM 0 HD3 PRO A 19 11.063 10.617 5.112 1.00 24.14 H new ATOM 301 N GLU A 20 10.468 6.527 8.681 1.00 3.55 N ATOM 302 CA GLU A 20 9.818 6.112 9.912 1.00 35.22 C ATOM 303 C GLU A 20 10.843 5.757 10.963 1.00 44.43 C ATOM 304 O GLU A 20 11.189 6.576 11.823 1.00 64.43 O ATOM 305 CB GLU A 20 8.882 4.915 9.650 1.00 3.21 C ATOM 306 CG GLU A 20 8.082 4.422 10.855 1.00 42.31 C ATOM 307 CD GLU A 20 7.152 5.472 11.401 1.00 14.44 C ATOM 308 OE1 GLU A 20 6.168 5.810 10.720 1.00 33.22 O ATOM 309 OE2 GLU A 20 7.371 5.952 12.527 1.00 62.04 O ATOM 0 H GLU A 20 10.850 5.763 8.124 1.00 3.55 H new ATOM 0 HA GLU A 20 9.221 6.946 10.282 1.00 35.22 H new ATOM 0 HB2 GLU A 20 8.182 5.191 8.861 1.00 3.21 H new ATOM 0 HB3 GLU A 20 9.480 4.086 9.271 1.00 3.21 H new ATOM 0 HG2 GLU A 20 7.504 3.544 10.568 1.00 42.31 H new ATOM 0 HG3 GLU A 20 8.770 4.108 11.640 1.00 42.31 H new ATOM 465 N SER A 31 13.610 -1.329 5.408 1.00 51.54 N ATOM 466 CA SER A 31 13.126 -0.103 4.879 1.00 22.15 C ATOM 467 C SER A 31 13.016 0.861 6.028 1.00 40.45 C ATOM 468 O SER A 31 12.203 0.644 6.931 1.00 51.53 O ATOM 469 CB SER A 31 11.735 -0.294 4.277 1.00 64.11 C ATOM 470 OG SER A 31 11.712 -1.320 3.300 1.00 55.10 O ATOM 0 HA SER A 31 13.799 0.260 4.102 1.00 22.15 H new ATOM 0 HB2 SER A 31 11.027 -0.534 5.070 1.00 64.11 H new ATOM 0 HB3 SER A 31 11.404 0.642 3.827 1.00 64.11 H new ATOM 0 HG SER A 31 12.452 -1.942 3.461 1.00 55.10 H new ATOM 476 N HIS A 32 13.834 1.892 6.046 1.00 3.53 N ATOM 477 CA HIS A 32 13.720 2.867 7.124 1.00 24.15 C ATOM 478 C HIS A 32 12.777 3.968 6.717 1.00 64.31 C ATOM 479 O HIS A 32 12.493 4.888 7.479 1.00 14.33 O ATOM 480 CB HIS A 32 15.085 3.451 7.583 1.00 42.11 C ATOM 481 CG HIS A 32 15.832 4.323 6.613 1.00 41.34 C ATOM 482 ND1 HIS A 32 15.832 5.695 6.702 1.00 63.12 N ATOM 483 CD2 HIS A 32 16.642 4.018 5.578 1.00 4.45 C ATOM 484 CE1 HIS A 32 16.604 6.192 5.764 1.00 13.30 C ATOM 485 NE2 HIS A 32 17.111 5.199 5.068 1.00 64.23 N ATOM 0 H HIS A 32 14.562 2.079 5.356 1.00 3.53 H new ATOM 0 HA HIS A 32 13.320 2.337 7.988 1.00 24.15 H new ATOM 0 HB2 HIS A 32 14.914 4.029 8.491 1.00 42.11 H new ATOM 0 HB3 HIS A 32 15.733 2.617 7.853 1.00 42.11 H new ATOM 0 HD2 HIS A 32 16.877 3.027 5.219 1.00 4.45 H new ATOM 0 HE1 HIS A 32 16.791 7.242 5.593 1.00 13.30 H new ATOM 0 HE2 HIS A 32 17.749 5.293 4.278 1.00 64.23 H new ATOM 494 N MET A 33 12.279 3.858 5.526 1.00 44.10 N ATOM 495 CA MET A 33 11.394 4.795 5.001 1.00 44.54 C ATOM 496 C MET A 33 10.149 4.080 4.534 1.00 74.21 C ATOM 497 O MET A 33 10.237 3.000 3.934 1.00 4.41 O ATOM 498 CB MET A 33 12.081 5.516 3.893 1.00 33.12 C ATOM 499 CG MET A 33 11.277 6.574 3.293 1.00 72.50 C ATOM 500 SD MET A 33 12.164 7.446 2.047 1.00 1.32 S ATOM 501 CE MET A 33 10.872 8.511 1.612 1.00 74.41 C ATOM 0 H MET A 33 12.495 3.088 4.893 1.00 44.10 H new ATOM 0 HA MET A 33 11.093 5.529 5.749 1.00 44.54 H new ATOM 0 HB2 MET A 33 13.008 5.947 4.272 1.00 33.12 H new ATOM 0 HB3 MET A 33 12.356 4.798 3.120 1.00 33.12 H new ATOM 0 HG2 MET A 33 10.374 6.143 2.861 1.00 72.50 H new ATOM 0 HG3 MET A 33 10.959 7.272 4.068 1.00 72.50 H new ATOM 0 HE1 MET A 33 11.284 9.445 1.229 1.00 74.41 H new ATOM 0 HE2 MET A 33 10.258 8.043 0.843 1.00 74.41 H new ATOM 0 HE3 MET A 33 10.259 8.717 2.490 1.00 74.41 H new ATOM 511 N VAL A 34 9.007 4.660 4.790 1.00 12.43 N ATOM 512 CA VAL A 34 7.773 3.968 4.558 1.00 4.11 C ATOM 513 C VAL A 34 6.756 4.848 3.825 1.00 41.40 C ATOM 514 O VAL A 34 6.698 6.072 4.034 1.00 22.02 O ATOM 515 CB VAL A 34 7.205 3.461 5.915 1.00 63.21 C ATOM 516 CG1 VAL A 34 6.883 4.611 6.843 1.00 32.41 C ATOM 517 CG2 VAL A 34 6.008 2.585 5.736 1.00 1.53 C ATOM 0 H VAL A 34 8.908 5.606 5.158 1.00 12.43 H new ATOM 0 HA VAL A 34 7.969 3.114 3.910 1.00 4.11 H new ATOM 0 HB VAL A 34 7.989 2.857 6.372 1.00 63.21 H new ATOM 0 HG11 VAL A 34 6.488 4.222 7.782 1.00 32.41 H new ATOM 0 HG12 VAL A 34 7.789 5.184 7.040 1.00 32.41 H new ATOM 0 HG13 VAL A 34 6.139 5.257 6.377 1.00 32.41 H new ATOM 0 HG21 VAL A 34 5.648 2.257 6.711 1.00 1.53 H new ATOM 0 HG22 VAL A 34 5.221 3.143 5.228 1.00 1.53 H new ATOM 0 HG23 VAL A 34 6.280 1.715 5.138 1.00 1.53 H new ATOM 527 N PHE A 35 5.974 4.229 2.968 1.00 54.03 N ATOM 528 CA PHE A 35 4.962 4.923 2.219 1.00 12.05 C ATOM 529 C PHE A 35 3.572 4.473 2.625 1.00 64.00 C ATOM 530 O PHE A 35 3.362 3.319 2.984 1.00 70.43 O ATOM 531 CB PHE A 35 5.190 4.796 0.688 1.00 41.21 C ATOM 532 CG PHE A 35 5.460 3.408 0.176 1.00 33.41 C ATOM 533 CD1 PHE A 35 4.453 2.480 0.088 1.00 73.35 C ATOM 534 CD2 PHE A 35 6.736 3.051 -0.233 1.00 50.31 C ATOM 535 CE1 PHE A 35 4.696 1.212 -0.386 1.00 14.13 C ATOM 536 CE2 PHE A 35 6.992 1.782 -0.711 1.00 42.33 C ATOM 537 CZ PHE A 35 5.967 0.857 -0.787 1.00 21.45 C ATOM 0 H PHE A 35 6.026 3.229 2.774 1.00 54.03 H new ATOM 0 HA PHE A 35 5.043 5.983 2.461 1.00 12.05 H new ATOM 0 HB2 PHE A 35 4.311 5.186 0.176 1.00 41.21 H new ATOM 0 HB3 PHE A 35 6.029 5.434 0.411 1.00 41.21 H new ATOM 0 HD1 PHE A 35 3.454 2.750 0.396 1.00 73.35 H new ATOM 0 HD2 PHE A 35 7.537 3.773 -0.177 1.00 50.31 H new ATOM 0 HE1 PHE A 35 3.891 0.494 -0.444 1.00 14.13 H new ATOM 0 HE2 PHE A 35 7.990 1.512 -1.025 1.00 42.33 H new ATOM 0 HZ PHE A 35 6.161 -0.138 -1.158 1.00 21.45 H new ATOM 547 N ARG A 36 2.643 5.389 2.613 1.00 65.44 N ATOM 548 CA ARG A 36 1.269 5.073 2.928 1.00 21.31 C ATOM 549 C ARG A 36 0.480 4.829 1.672 1.00 64.52 C ATOM 550 O ARG A 36 0.164 5.765 0.945 1.00 20.34 O ATOM 551 CB ARG A 36 0.580 6.173 3.765 1.00 11.12 C ATOM 552 CG ARG A 36 0.948 6.228 5.251 1.00 33.45 C ATOM 553 CD ARG A 36 2.399 6.565 5.509 1.00 24.12 C ATOM 554 NE ARG A 36 2.689 6.546 6.944 1.00 13.42 N ATOM 555 CZ ARG A 36 3.864 6.832 7.501 1.00 72.41 C ATOM 556 NH1 ARG A 36 4.876 7.265 6.752 1.00 55.03 N ATOM 557 NH2 ARG A 36 4.017 6.707 8.812 1.00 30.31 N ATOM 0 H ARG A 36 2.811 6.369 2.387 1.00 65.44 H new ATOM 0 HA ARG A 36 1.292 4.166 3.532 1.00 21.31 H new ATOM 0 HB2 ARG A 36 0.815 7.139 3.319 1.00 11.12 H new ATOM 0 HB3 ARG A 36 -0.499 6.038 3.685 1.00 11.12 H new ATOM 0 HG2 ARG A 36 0.319 6.970 5.744 1.00 33.45 H new ATOM 0 HG3 ARG A 36 0.722 5.264 5.707 1.00 33.45 H new ATOM 0 HD2 ARG A 36 3.040 5.850 4.994 1.00 24.12 H new ATOM 0 HD3 ARG A 36 2.627 7.549 5.100 1.00 24.12 H new ATOM 0 HE ARG A 36 1.925 6.292 7.571 1.00 13.42 H new ATOM 0 HH11 ARG A 36 4.753 7.379 5.746 1.00 55.03 H new ATOM 0 HH12 ARG A 36 5.774 7.483 7.184 1.00 55.03 H new ATOM 0 HH21 ARG A 36 3.237 6.393 9.389 1.00 30.31 H new ATOM 0 HH22 ARG A 36 4.915 6.925 9.244 1.00 30.31 H new ATOM 571 N VAL A 37 0.190 3.587 1.402 1.00 15.54 N ATOM 572 CA VAL A 37 -0.621 3.248 0.274 1.00 70.11 C ATOM 573 C VAL A 37 -2.068 3.380 0.677 1.00 41.24 C ATOM 574 O VAL A 37 -2.525 2.750 1.634 1.00 44.43 O ATOM 575 CB VAL A 37 -0.315 1.819 -0.314 1.00 51.33 C ATOM 576 CG1 VAL A 37 1.109 1.744 -0.784 1.00 51.32 C ATOM 577 CG2 VAL A 37 -0.579 0.696 0.690 1.00 2.33 C ATOM 0 H VAL A 37 0.507 2.790 1.954 1.00 15.54 H new ATOM 0 HA VAL A 37 -0.386 3.939 -0.536 1.00 70.11 H new ATOM 0 HB VAL A 37 -0.996 1.675 -1.153 1.00 51.33 H new ATOM 0 HG11 VAL A 37 1.307 0.751 -1.188 1.00 51.32 H new ATOM 0 HG12 VAL A 37 1.276 2.491 -1.560 1.00 51.32 H new ATOM 0 HG13 VAL A 37 1.779 1.935 0.054 1.00 51.32 H new ATOM 0 HG21 VAL A 37 -0.351 -0.265 0.229 1.00 2.33 H new ATOM 0 HG22 VAL A 37 0.052 0.837 1.568 1.00 2.33 H new ATOM 0 HG23 VAL A 37 -1.627 0.715 0.990 1.00 2.33 H new ATOM 587 N GLU A 38 -2.771 4.231 0.022 1.00 44.32 N ATOM 588 CA GLU A 38 -4.123 4.425 0.367 1.00 51.03 C ATOM 589 C GLU A 38 -5.002 3.843 -0.710 1.00 34.42 C ATOM 590 O GLU A 38 -5.069 4.358 -1.836 1.00 4.52 O ATOM 591 CB GLU A 38 -4.389 5.902 0.601 1.00 45.40 C ATOM 592 CG GLU A 38 -5.763 6.212 1.122 1.00 32.03 C ATOM 593 CD GLU A 38 -5.919 7.666 1.441 1.00 21.24 C ATOM 594 OE1 GLU A 38 -5.578 8.069 2.561 1.00 44.15 O ATOM 595 OE2 GLU A 38 -6.383 8.428 0.581 1.00 11.33 O ATOM 0 H GLU A 38 -2.430 4.800 -0.753 1.00 44.32 H new ATOM 0 HA GLU A 38 -4.356 3.907 1.297 1.00 51.03 H new ATOM 0 HB2 GLU A 38 -3.652 6.284 1.307 1.00 45.40 H new ATOM 0 HB3 GLU A 38 -4.240 6.438 -0.336 1.00 45.40 H new ATOM 0 HG2 GLU A 38 -6.507 5.920 0.381 1.00 32.03 H new ATOM 0 HG3 GLU A 38 -5.955 5.620 2.017 1.00 32.03 H new ATOM 602 N VAL A 39 -5.643 2.760 -0.366 1.00 32.24 N ATOM 603 CA VAL A 39 -6.512 2.046 -1.271 1.00 24.15 C ATOM 604 C VAL A 39 -7.951 2.401 -0.945 1.00 74.35 C ATOM 605 O VAL A 39 -8.457 2.045 0.129 1.00 24.52 O ATOM 606 CB VAL A 39 -6.327 0.506 -1.128 1.00 73.05 C ATOM 607 CG1 VAL A 39 -7.237 -0.254 -2.079 1.00 71.10 C ATOM 608 CG2 VAL A 39 -4.872 0.089 -1.329 1.00 52.24 C ATOM 0 H VAL A 39 -5.578 2.340 0.561 1.00 32.24 H new ATOM 0 HA VAL A 39 -6.263 2.331 -2.293 1.00 24.15 H new ATOM 0 HB VAL A 39 -6.610 0.247 -0.108 1.00 73.05 H new ATOM 0 HG11 VAL A 39 -7.082 -1.325 -1.953 1.00 71.10 H new ATOM 0 HG12 VAL A 39 -8.277 -0.010 -1.861 1.00 71.10 H new ATOM 0 HG13 VAL A 39 -7.006 0.027 -3.106 1.00 71.10 H new ATOM 0 HG21 VAL A 39 -4.785 -0.992 -1.221 1.00 52.24 H new ATOM 0 HG22 VAL A 39 -4.544 0.382 -2.326 1.00 52.24 H new ATOM 0 HG23 VAL A 39 -4.247 0.579 -0.583 1.00 52.24 H new ATOM 618 N LEU A 40 -8.584 3.144 -1.823 1.00 4.13 N ATOM 619 CA LEU A 40 -9.964 3.510 -1.645 1.00 24.00 C ATOM 620 C LEU A 40 -10.797 2.460 -2.319 1.00 62.40 C ATOM 621 O LEU A 40 -10.698 2.252 -3.531 1.00 62.21 O ATOM 622 CB LEU A 40 -10.249 4.924 -2.239 1.00 52.54 C ATOM 623 CG LEU A 40 -11.579 5.645 -1.836 1.00 42.32 C ATOM 624 CD1 LEU A 40 -11.596 7.047 -2.386 1.00 70.53 C ATOM 625 CD2 LEU A 40 -12.813 4.909 -2.315 1.00 73.41 C ATOM 0 H LEU A 40 -8.157 3.508 -2.675 1.00 4.13 H new ATOM 0 HA LEU A 40 -10.210 3.563 -0.584 1.00 24.00 H new ATOM 0 HB2 LEU A 40 -9.420 5.575 -1.960 1.00 52.54 H new ATOM 0 HB3 LEU A 40 -10.234 4.837 -3.325 1.00 52.54 H new ATOM 0 HG LEU A 40 -11.606 5.663 -0.746 1.00 42.32 H new ATOM 0 HD11 LEU A 40 -12.526 7.539 -2.100 1.00 70.53 H new ATOM 0 HD12 LEU A 40 -10.751 7.606 -1.984 1.00 70.53 H new ATOM 0 HD13 LEU A 40 -11.524 7.012 -3.473 1.00 70.53 H new ATOM 0 HD21 LEU A 40 -13.705 5.455 -2.007 1.00 73.41 H new ATOM 0 HD22 LEU A 40 -12.792 4.832 -3.402 1.00 73.41 H new ATOM 0 HD23 LEU A 40 -12.832 3.909 -1.881 1.00 73.41 H new ATOM 637 N CYS A 41 -11.591 1.800 -1.548 1.00 41.54 N ATOM 638 CA CYS A 41 -12.436 0.786 -2.043 1.00 72.43 C ATOM 639 C CYS A 41 -13.862 1.089 -1.629 1.00 2.52 C ATOM 640 O CYS A 41 -14.238 0.907 -0.464 1.00 23.31 O ATOM 641 CB CYS A 41 -11.983 -0.589 -1.525 1.00 3.43 C ATOM 642 SG CYS A 41 -12.957 -1.987 -2.131 1.00 2.01 S ATOM 0 H CYS A 41 -11.667 1.957 -0.543 1.00 41.54 H new ATOM 0 HA CYS A 41 -12.383 0.758 -3.131 1.00 72.43 H new ATOM 0 HB2 CYS A 41 -10.941 -0.742 -1.805 1.00 3.43 H new ATOM 0 HB3 CYS A 41 -12.022 -0.582 -0.436 1.00 3.43 H new ATOM 0 HG CYS A 41 -12.486 -3.092 -1.633 1.00 2.01 H new ATOM 648 N SER A 42 -14.621 1.602 -2.579 1.00 11.52 N ATOM 649 CA SER A 42 -16.027 1.915 -2.411 1.00 12.23 C ATOM 650 C SER A 42 -16.308 2.882 -1.246 1.00 20.50 C ATOM 651 O SER A 42 -16.716 2.468 -0.151 1.00 30.54 O ATOM 652 CB SER A 42 -16.845 0.634 -2.288 1.00 43.45 C ATOM 653 OG SER A 42 -16.645 -0.188 -3.426 1.00 30.05 O ATOM 0 H SER A 42 -14.268 1.818 -3.511 1.00 11.52 H new ATOM 0 HA SER A 42 -16.339 2.448 -3.309 1.00 12.23 H new ATOM 0 HB2 SER A 42 -16.556 0.095 -1.386 1.00 43.45 H new ATOM 0 HB3 SER A 42 -17.903 0.878 -2.188 1.00 43.45 H new ATOM 0 HG SER A 42 -17.174 -1.008 -3.334 1.00 30.05 H new ATOM 659 N GLY A 43 -16.021 4.157 -1.467 1.00 44.10 N ATOM 660 CA GLY A 43 -16.302 5.197 -0.476 1.00 73.11 C ATOM 661 C GLY A 43 -15.311 5.253 0.683 1.00 22.42 C ATOM 662 O GLY A 43 -14.983 6.332 1.171 1.00 10.13 O ATOM 0 H GLY A 43 -15.592 4.501 -2.326 1.00 44.10 H new ATOM 0 HA2 GLY A 43 -16.311 6.165 -0.977 1.00 73.11 H new ATOM 0 HA3 GLY A 43 -17.303 5.037 -0.074 1.00 73.11 H new ATOM 666 N ARG A 44 -14.850 4.116 1.124 1.00 2.24 N ATOM 667 CA ARG A 44 -13.930 4.047 2.234 1.00 4.14 C ATOM 668 C ARG A 44 -12.544 3.735 1.726 1.00 63.24 C ATOM 669 O ARG A 44 -12.390 3.055 0.718 1.00 54.50 O ATOM 670 CB ARG A 44 -14.369 2.965 3.220 1.00 45.43 C ATOM 671 CG ARG A 44 -15.758 3.171 3.796 1.00 22.22 C ATOM 672 CD ARG A 44 -16.137 2.046 4.743 1.00 51.05 C ATOM 673 NE ARG A 44 -16.113 0.731 4.082 1.00 62.20 N ATOM 674 CZ ARG A 44 -16.533 -0.411 4.627 1.00 4.23 C ATOM 675 NH1 ARG A 44 -17.014 -0.425 5.865 1.00 1.14 N ATOM 676 NH2 ARG A 44 -16.467 -1.539 3.933 1.00 12.03 N ATOM 0 H ARG A 44 -15.099 3.210 0.727 1.00 2.24 H new ATOM 0 HA ARG A 44 -13.923 5.010 2.745 1.00 4.14 H new ATOM 0 HB2 ARG A 44 -14.336 1.998 2.718 1.00 45.43 H new ATOM 0 HB3 ARG A 44 -13.651 2.924 4.039 1.00 45.43 H new ATOM 0 HG2 ARG A 44 -15.797 4.123 4.325 1.00 22.22 H new ATOM 0 HG3 ARG A 44 -16.485 3.227 2.986 1.00 22.22 H new ATOM 0 HD2 ARG A 44 -15.449 2.038 5.589 1.00 51.05 H new ATOM 0 HD3 ARG A 44 -17.134 2.231 5.144 1.00 51.05 H new ATOM 0 HE ARG A 44 -15.746 0.690 3.131 1.00 62.20 H new ATOM 0 HH11 ARG A 44 -17.063 0.440 6.403 1.00 1.14 H new ATOM 0 HH12 ARG A 44 -17.334 -1.301 6.278 1.00 1.14 H new ATOM 0 HH21 ARG A 44 -16.095 -1.532 2.983 1.00 12.03 H new ATOM 0 HH22 ARG A 44 -16.788 -2.413 4.349 1.00 12.03 H new ATOM 690 N ARG A 45 -11.549 4.219 2.406 1.00 62.23 N ATOM 691 CA ARG A 45 -10.180 3.961 2.018 1.00 43.21 C ATOM 692 C ARG A 45 -9.388 3.695 3.237 1.00 35.00 C ATOM 693 O ARG A 45 -9.787 4.096 4.319 1.00 20.22 O ATOM 694 CB ARG A 45 -9.531 5.135 1.230 1.00 0.33 C ATOM 695 CG ARG A 45 -9.276 6.434 1.999 1.00 32.42 C ATOM 696 CD ARG A 45 -10.539 7.137 2.436 1.00 63.30 C ATOM 697 NE ARG A 45 -10.229 8.349 3.179 1.00 24.23 N ATOM 698 CZ ARG A 45 -11.106 9.087 3.853 1.00 53.43 C ATOM 699 NH1 ARG A 45 -12.387 8.716 3.929 1.00 4.24 N ATOM 700 NH2 ARG A 45 -10.696 10.182 4.469 1.00 70.15 N ATOM 0 H ARG A 45 -11.652 4.799 3.239 1.00 62.23 H new ATOM 0 HA ARG A 45 -10.187 3.101 1.348 1.00 43.21 H new ATOM 0 HB2 ARG A 45 -8.579 4.787 0.828 1.00 0.33 H new ATOM 0 HB3 ARG A 45 -10.171 5.366 0.379 1.00 0.33 H new ATOM 0 HG2 ARG A 45 -8.671 6.213 2.878 1.00 32.42 H new ATOM 0 HG3 ARG A 45 -8.693 7.109 1.372 1.00 32.42 H new ATOM 0 HD2 ARG A 45 -11.142 7.385 1.563 1.00 63.30 H new ATOM 0 HD3 ARG A 45 -11.136 6.468 3.056 1.00 63.30 H new ATOM 0 HE ARG A 45 -9.257 8.659 3.183 1.00 24.23 H new ATOM 0 HH11 ARG A 45 -12.699 7.861 3.468 1.00 4.24 H new ATOM 0 HH12 ARG A 45 -13.054 9.288 4.448 1.00 4.24 H new ATOM 0 HH21 ARG A 45 -9.714 10.455 4.425 1.00 70.15 H new ATOM 0 HH22 ARG A 45 -11.361 10.754 4.988 1.00 70.15 H new ATOM 714 N HIS A 46 -8.285 3.026 3.095 1.00 11.34 N ATOM 715 CA HIS A 46 -7.449 2.802 4.227 1.00 35.32 C ATOM 716 C HIS A 46 -6.059 3.249 3.897 1.00 1.03 C ATOM 717 O HIS A 46 -5.498 2.851 2.869 1.00 11.44 O ATOM 718 CB HIS A 46 -7.459 1.328 4.667 1.00 63.24 C ATOM 719 CG HIS A 46 -6.912 1.113 6.061 1.00 70.24 C ATOM 720 ND1 HIS A 46 -5.668 1.232 6.569 1.00 0.21 N flip ATOM 721 CD2 HIS A 46 -7.704 0.742 7.111 1.00 54.21 C flip ATOM 722 CE1 HIS A 46 -5.743 0.941 7.903 1.00 74.33 C flip ATOM 723 NE2 HIS A 46 -6.983 0.652 8.203 1.00 13.41 N flip ATOM 0 H HIS A 46 -7.948 2.631 2.217 1.00 11.34 H new ATOM 0 HA HIS A 46 -7.835 3.380 5.066 1.00 35.32 H new ATOM 0 HB2 HIS A 46 -8.481 0.951 4.623 1.00 63.24 H new ATOM 0 HB3 HIS A 46 -6.872 0.742 3.960 1.00 63.24 H new ATOM 0 HD2 HIS A 46 -8.765 0.551 7.051 1.00 54.21 H new ATOM 0 HE1 HIS A 46 -4.914 0.949 8.595 1.00 74.33 H new ATOM 0 HE2 HIS A 46 -7.330 0.400 9.128 1.00 13.41 H new ATOM 732 N THR A 47 -5.525 4.086 4.737 1.00 71.12 N ATOM 733 CA THR A 47 -4.189 4.560 4.587 1.00 73.52 C ATOM 734 C THR A 47 -3.249 3.514 5.225 1.00 45.15 C ATOM 735 O THR A 47 -3.147 3.429 6.450 1.00 3.04 O ATOM 736 CB THR A 47 -4.047 5.911 5.323 1.00 55.32 C ATOM 737 OG1 THR A 47 -5.125 6.792 4.924 1.00 14.32 O ATOM 738 CG2 THR A 47 -2.727 6.573 4.994 1.00 23.51 C ATOM 0 H THR A 47 -6.012 4.460 5.551 1.00 71.12 H new ATOM 0 HA THR A 47 -3.939 4.703 3.536 1.00 73.52 H new ATOM 0 HB THR A 47 -4.087 5.721 6.396 1.00 55.32 H new ATOM 0 HG1 THR A 47 -4.984 7.083 3.999 1.00 14.32 H new ATOM 0 HG21 THR A 47 -2.653 7.522 5.525 1.00 23.51 H new ATOM 0 HG22 THR A 47 -1.908 5.922 5.299 1.00 23.51 H new ATOM 0 HG23 THR A 47 -2.668 6.753 3.921 1.00 23.51 H new ATOM 746 N VAL A 48 -2.634 2.681 4.404 1.00 45.10 N ATOM 747 CA VAL A 48 -1.789 1.604 4.904 1.00 15.15 C ATOM 748 C VAL A 48 -0.307 1.943 4.742 1.00 51.11 C ATOM 749 O VAL A 48 0.197 2.008 3.628 1.00 51.32 O ATOM 750 CB VAL A 48 -2.067 0.251 4.164 1.00 64.21 C ATOM 751 CG1 VAL A 48 -1.219 -0.875 4.738 1.00 43.33 C ATOM 752 CG2 VAL A 48 -3.539 -0.116 4.204 1.00 54.03 C ATOM 0 H VAL A 48 -2.702 2.727 3.387 1.00 45.10 H new ATOM 0 HA VAL A 48 -2.032 1.492 5.961 1.00 15.15 H new ATOM 0 HB VAL A 48 -1.786 0.392 3.120 1.00 64.21 H new ATOM 0 HG11 VAL A 48 -1.434 -1.801 4.204 1.00 43.33 H new ATOM 0 HG12 VAL A 48 -0.163 -0.629 4.626 1.00 43.33 H new ATOM 0 HG13 VAL A 48 -1.452 -1.003 5.795 1.00 43.33 H new ATOM 0 HG21 VAL A 48 -3.693 -1.060 3.681 1.00 54.03 H new ATOM 0 HG22 VAL A 48 -3.860 -0.219 5.240 1.00 54.03 H new ATOM 0 HG23 VAL A 48 -4.122 0.667 3.719 1.00 54.03 H new ATOM 762 N PRO A 49 0.406 2.189 5.844 1.00 44.42 N ATOM 763 CA PRO A 49 1.842 2.394 5.798 1.00 72.35 C ATOM 764 C PRO A 49 2.532 1.069 5.502 1.00 22.13 C ATOM 765 O PRO A 49 2.539 0.148 6.341 1.00 20.10 O ATOM 766 CB PRO A 49 2.199 2.879 7.216 1.00 63.21 C ATOM 767 CG PRO A 49 0.888 3.176 7.868 1.00 54.42 C ATOM 768 CD PRO A 49 -0.114 2.292 7.202 1.00 71.41 C ATOM 0 HA PRO A 49 2.151 3.101 5.028 1.00 72.35 H new ATOM 0 HB2 PRO A 49 2.749 2.116 7.767 1.00 63.21 H new ATOM 0 HB3 PRO A 49 2.832 3.766 7.182 1.00 63.21 H new ATOM 0 HG2 PRO A 49 0.932 2.978 8.939 1.00 54.42 H new ATOM 0 HG3 PRO A 49 0.622 4.226 7.748 1.00 54.42 H new ATOM 0 HD2 PRO A 49 -0.180 1.318 7.686 1.00 71.41 H new ATOM 0 HD3 PRO A 49 -1.114 2.726 7.221 1.00 71.41 H new ATOM 776 N ARG A 50 3.082 0.952 4.329 1.00 42.42 N ATOM 777 CA ARG A 50 3.676 -0.274 3.927 1.00 73.21 C ATOM 778 C ARG A 50 5.142 -0.014 3.587 1.00 13.00 C ATOM 779 O ARG A 50 5.468 0.981 2.912 1.00 30.33 O ATOM 780 CB ARG A 50 2.915 -0.846 2.713 1.00 64.43 C ATOM 781 CG ARG A 50 3.115 -2.343 2.491 1.00 52.34 C ATOM 782 CD ARG A 50 2.505 -3.139 3.655 1.00 43.24 C ATOM 783 NE ARG A 50 2.704 -4.587 3.526 1.00 75.14 N ATOM 784 CZ ARG A 50 3.317 -5.345 4.454 1.00 34.34 C ATOM 785 NH1 ARG A 50 3.799 -4.788 5.562 1.00 70.54 N ATOM 786 NH2 ARG A 50 3.441 -6.655 4.282 1.00 64.15 N ATOM 0 H ARG A 50 3.128 1.699 3.636 1.00 42.42 H new ATOM 0 HA ARG A 50 3.622 -1.008 4.731 1.00 73.21 H new ATOM 0 HB2 ARG A 50 1.851 -0.649 2.841 1.00 64.43 H new ATOM 0 HB3 ARG A 50 3.232 -0.313 1.817 1.00 64.43 H new ATOM 0 HG2 ARG A 50 2.650 -2.644 1.552 1.00 52.34 H new ATOM 0 HG3 ARG A 50 4.178 -2.566 2.406 1.00 52.34 H new ATOM 0 HD2 ARG A 50 2.947 -2.799 4.591 1.00 43.24 H new ATOM 0 HD3 ARG A 50 1.437 -2.928 3.712 1.00 43.24 H new ATOM 0 HE ARG A 50 2.357 -5.046 2.684 1.00 75.14 H new ATOM 0 HH11 ARG A 50 3.705 -3.783 5.710 1.00 70.54 H new ATOM 0 HH12 ARG A 50 4.263 -5.366 6.263 1.00 70.54 H new ATOM 0 HH21 ARG A 50 3.070 -7.096 3.441 1.00 64.15 H new ATOM 0 HH22 ARG A 50 3.907 -7.221 4.991 1.00 64.15 H new ATOM 800 N ARG A 51 6.032 -0.856 4.092 1.00 14.30 N ATOM 801 CA ARG A 51 7.447 -0.689 3.810 1.00 33.21 C ATOM 802 C ARG A 51 7.774 -1.084 2.374 1.00 1.01 C ATOM 803 O ARG A 51 7.036 -1.841 1.726 1.00 51.01 O ATOM 804 CB ARG A 51 8.357 -1.482 4.772 1.00 15.33 C ATOM 805 CG ARG A 51 8.278 -1.107 6.253 1.00 10.23 C ATOM 806 CD ARG A 51 9.336 -1.872 7.086 1.00 75.12 C ATOM 807 NE ARG A 51 9.199 -3.341 6.997 1.00 40.25 N ATOM 808 CZ ARG A 51 10.104 -4.240 7.451 1.00 52.55 C ATOM 809 NH1 ARG A 51 11.184 -3.830 8.100 1.00 65.01 N ATOM 810 NH2 ARG A 51 9.910 -5.548 7.260 1.00 72.11 N ATOM 0 H ARG A 51 5.803 -1.650 4.690 1.00 14.30 H new ATOM 0 HA ARG A 51 7.650 0.372 3.959 1.00 33.21 H new ATOM 0 HB2 ARG A 51 8.115 -2.540 4.675 1.00 15.33 H new ATOM 0 HB3 ARG A 51 9.389 -1.359 4.444 1.00 15.33 H new ATOM 0 HG2 ARG A 51 8.430 -0.034 6.367 1.00 10.23 H new ATOM 0 HG3 ARG A 51 7.281 -1.330 6.634 1.00 10.23 H new ATOM 0 HD2 ARG A 51 10.332 -1.586 6.747 1.00 75.12 H new ATOM 0 HD3 ARG A 51 9.255 -1.569 8.130 1.00 75.12 H new ATOM 0 HE ARG A 51 8.354 -3.707 6.558 1.00 40.25 H new ATOM 0 HH11 ARG A 51 11.336 -2.834 8.259 1.00 65.01 H new ATOM 0 HH12 ARG A 51 11.863 -4.510 8.440 1.00 65.01 H new ATOM 0 HH21 ARG A 51 9.077 -5.874 6.770 1.00 72.11 H new ATOM 0 HH22 ARG A 51 10.595 -6.221 7.604 1.00 72.11 H new ATOM 824 N TYR A 52 8.896 -0.592 1.921 1.00 43.24 N ATOM 825 CA TYR A 52 9.420 -0.818 0.587 1.00 72.34 C ATOM 826 C TYR A 52 9.720 -2.333 0.408 1.00 62.32 C ATOM 827 O TYR A 52 9.286 -2.981 -0.571 1.00 70.51 O ATOM 828 CB TYR A 52 10.699 0.039 0.499 1.00 25.13 C ATOM 829 CG TYR A 52 11.397 0.153 -0.831 1.00 3.42 C ATOM 830 CD1 TYR A 52 12.367 -0.756 -1.206 1.00 54.42 C ATOM 831 CD2 TYR A 52 11.117 1.210 -1.699 1.00 63.12 C ATOM 832 CE1 TYR A 52 13.042 -0.627 -2.396 1.00 22.25 C ATOM 833 CE2 TYR A 52 11.785 1.336 -2.896 1.00 62.14 C ATOM 834 CZ TYR A 52 12.745 0.413 -3.237 1.00 60.12 C ATOM 835 OH TYR A 52 13.426 0.544 -4.411 1.00 44.54 O ATOM 0 H TYR A 52 9.500 0.002 2.489 1.00 43.24 H new ATOM 0 HA TYR A 52 8.722 -0.540 -0.202 1.00 72.34 H new ATOM 0 HB2 TYR A 52 10.446 1.047 0.828 1.00 25.13 H new ATOM 0 HB3 TYR A 52 11.416 -0.360 1.217 1.00 25.13 H new ATOM 0 HD1 TYR A 52 12.599 -1.583 -0.552 1.00 54.42 H new ATOM 0 HD2 TYR A 52 10.367 1.938 -1.428 1.00 63.12 H new ATOM 0 HE1 TYR A 52 13.804 -1.343 -2.667 1.00 22.25 H new ATOM 0 HE2 TYR A 52 11.556 2.154 -3.563 1.00 62.14 H new ATOM 0 HH TYR A 52 13.459 -0.322 -4.868 1.00 44.54 H new ATOM 845 N SER A 53 10.417 -2.887 1.382 1.00 44.41 N ATOM 846 CA SER A 53 10.753 -4.298 1.408 1.00 71.21 C ATOM 847 C SER A 53 9.513 -5.158 1.620 1.00 51.34 C ATOM 848 O SER A 53 9.426 -6.286 1.111 1.00 54.40 O ATOM 849 CB SER A 53 11.756 -4.544 2.506 1.00 14.04 C ATOM 850 OG SER A 53 12.882 -3.725 2.306 1.00 10.32 O ATOM 0 H SER A 53 10.769 -2.365 2.185 1.00 44.41 H new ATOM 0 HA SER A 53 11.183 -4.576 0.446 1.00 71.21 H new ATOM 0 HB2 SER A 53 11.307 -4.333 3.477 1.00 14.04 H new ATOM 0 HB3 SER A 53 12.053 -5.593 2.514 1.00 14.04 H new ATOM 0 HG SER A 53 13.533 -3.884 3.021 1.00 10.32 H new ATOM 856 N GLU A 54 8.554 -4.614 2.357 1.00 15.31 N ATOM 857 CA GLU A 54 7.313 -5.305 2.624 1.00 72.42 C ATOM 858 C GLU A 54 6.534 -5.512 1.361 1.00 5.43 C ATOM 859 O GLU A 54 6.023 -6.598 1.136 1.00 54.34 O ATOM 860 CB GLU A 54 6.477 -4.569 3.644 1.00 14.14 C ATOM 861 CG GLU A 54 7.026 -4.621 5.048 1.00 13.52 C ATOM 862 CD GLU A 54 7.001 -5.998 5.644 1.00 22.44 C ATOM 863 OE1 GLU A 54 5.951 -6.412 6.167 1.00 53.04 O ATOM 864 OE2 GLU A 54 8.044 -6.658 5.632 1.00 41.34 O ATOM 0 H GLU A 54 8.619 -3.688 2.781 1.00 15.31 H new ATOM 0 HA GLU A 54 7.566 -6.280 3.039 1.00 72.42 H new ATOM 0 HB2 GLU A 54 6.387 -3.526 3.339 1.00 14.14 H new ATOM 0 HB3 GLU A 54 5.471 -4.989 3.644 1.00 14.14 H new ATOM 0 HG2 GLU A 54 8.052 -4.253 5.043 1.00 13.52 H new ATOM 0 HG3 GLU A 54 6.449 -3.948 5.682 1.00 13.52 H new ATOM 871 N PHE A 55 6.444 -4.473 0.519 1.00 43.51 N ATOM 872 CA PHE A 55 5.763 -4.622 -0.742 1.00 23.10 C ATOM 873 C PHE A 55 6.444 -5.681 -1.599 1.00 1.25 C ATOM 874 O PHE A 55 5.776 -6.422 -2.303 1.00 3.42 O ATOM 875 CB PHE A 55 5.633 -3.307 -1.517 1.00 73.23 C ATOM 876 CG PHE A 55 4.895 -3.501 -2.817 1.00 63.43 C ATOM 877 CD1 PHE A 55 3.525 -3.685 -2.820 1.00 32.13 C ATOM 878 CD2 PHE A 55 5.572 -3.541 -4.027 1.00 74.34 C ATOM 879 CE1 PHE A 55 2.844 -3.895 -3.995 1.00 41.25 C ATOM 880 CE2 PHE A 55 4.895 -3.752 -5.208 1.00 10.20 C ATOM 881 CZ PHE A 55 3.527 -3.928 -5.191 1.00 55.04 C ATOM 0 H PHE A 55 6.830 -3.546 0.696 1.00 43.51 H new ATOM 0 HA PHE A 55 4.749 -4.946 -0.507 1.00 23.10 H new ATOM 0 HB2 PHE A 55 5.107 -2.574 -0.905 1.00 73.23 H new ATOM 0 HB3 PHE A 55 6.625 -2.902 -1.718 1.00 73.23 H new ATOM 0 HD1 PHE A 55 2.983 -3.663 -1.886 1.00 32.13 H new ATOM 0 HD2 PHE A 55 6.643 -3.405 -4.043 1.00 74.34 H new ATOM 0 HE1 PHE A 55 1.773 -4.034 -3.981 1.00 41.25 H new ATOM 0 HE2 PHE A 55 5.433 -3.780 -6.144 1.00 10.20 H new ATOM 0 HZ PHE A 55 2.992 -4.092 -6.115 1.00 55.04 H new ATOM 891 N HIS A 56 7.776 -5.750 -1.534 1.00 31.32 N ATOM 892 CA HIS A 56 8.509 -6.784 -2.276 1.00 30.31 C ATOM 893 C HIS A 56 8.027 -8.191 -1.898 1.00 3.25 C ATOM 894 O HIS A 56 7.657 -8.985 -2.772 1.00 33.01 O ATOM 895 CB HIS A 56 10.041 -6.667 -2.098 1.00 20.14 C ATOM 896 CG HIS A 56 10.651 -5.447 -2.732 1.00 34.35 C ATOM 897 ND1 HIS A 56 11.750 -4.785 -2.227 1.00 62.51 N ATOM 898 CD2 HIS A 56 10.345 -4.817 -3.884 1.00 60.12 C ATOM 899 CE1 HIS A 56 12.081 -3.815 -3.041 1.00 51.51 C ATOM 900 NE2 HIS A 56 11.247 -3.809 -4.060 1.00 2.40 N ATOM 0 H HIS A 56 8.361 -5.117 -0.988 1.00 31.32 H new ATOM 0 HA HIS A 56 8.293 -6.617 -3.331 1.00 30.31 H new ATOM 0 HB2 HIS A 56 10.271 -6.661 -1.033 1.00 20.14 H new ATOM 0 HB3 HIS A 56 10.512 -7.555 -2.520 1.00 20.14 H new ATOM 0 HD2 HIS A 56 9.531 -5.066 -4.549 1.00 60.12 H new ATOM 0 HE1 HIS A 56 12.904 -3.131 -2.900 1.00 51.51 H new ATOM 0 HE2 HIS A 56 11.271 -3.161 -4.847 1.00 2.40 H new ATOM 909 N ALA A 57 7.985 -8.469 -0.599 1.00 4.52 N ATOM 910 CA ALA A 57 7.547 -9.774 -0.095 1.00 23.34 C ATOM 911 C ALA A 57 6.055 -9.993 -0.361 1.00 4.34 C ATOM 912 O ALA A 57 5.646 -11.075 -0.778 1.00 42.03 O ATOM 913 CB ALA A 57 7.858 -9.905 1.390 1.00 23.34 C ATOM 0 H ALA A 57 8.250 -7.807 0.130 1.00 4.52 H new ATOM 0 HA ALA A 57 8.098 -10.547 -0.630 1.00 23.34 H new ATOM 0 HB1 ALA A 57 7.526 -10.880 1.747 1.00 23.34 H new ATOM 0 HB2 ALA A 57 8.932 -9.808 1.547 1.00 23.34 H new ATOM 0 HB3 ALA A 57 7.339 -9.121 1.941 1.00 23.34 H new ATOM 919 N LEU A 58 5.270 -8.953 -0.130 1.00 34.03 N ATOM 920 CA LEU A 58 3.821 -8.939 -0.369 1.00 4.34 C ATOM 921 C LEU A 58 3.490 -9.281 -1.807 1.00 13.35 C ATOM 922 O LEU A 58 2.689 -10.159 -2.072 1.00 53.11 O ATOM 923 CB LEU A 58 3.303 -7.535 0.000 1.00 51.35 C ATOM 924 CG LEU A 58 1.973 -7.035 -0.586 1.00 70.00 C ATOM 925 CD1 LEU A 58 0.817 -7.978 -0.309 1.00 1.42 C ATOM 926 CD2 LEU A 58 1.680 -5.660 -0.016 1.00 53.13 C ATOM 0 H LEU A 58 5.624 -8.070 0.238 1.00 34.03 H new ATOM 0 HA LEU A 58 3.336 -9.698 0.245 1.00 4.34 H new ATOM 0 HB2 LEU A 58 3.216 -7.495 1.086 1.00 51.35 H new ATOM 0 HB3 LEU A 58 4.074 -6.819 -0.284 1.00 51.35 H new ATOM 0 HG LEU A 58 2.076 -6.988 -1.670 1.00 70.00 H new ATOM 0 HD11 LEU A 58 -0.096 -7.573 -0.746 1.00 1.42 H new ATOM 0 HD12 LEU A 58 1.029 -8.952 -0.749 1.00 1.42 H new ATOM 0 HD13 LEU A 58 0.686 -8.087 0.768 1.00 1.42 H new ATOM 0 HD21 LEU A 58 0.738 -5.291 -0.422 1.00 53.13 H new ATOM 0 HD22 LEU A 58 1.606 -5.724 1.070 1.00 53.13 H new ATOM 0 HD23 LEU A 58 2.485 -4.976 -0.285 1.00 53.13 H new ATOM 938 N HIS A 59 4.151 -8.620 -2.710 1.00 21.24 N ATOM 939 CA HIS A 59 3.955 -8.802 -4.133 1.00 75.21 C ATOM 940 C HIS A 59 4.294 -10.275 -4.514 1.00 11.22 C ATOM 941 O HIS A 59 3.662 -10.866 -5.397 1.00 13.53 O ATOM 942 CB HIS A 59 4.896 -7.826 -4.839 1.00 13.31 C ATOM 943 CG HIS A 59 4.739 -7.717 -6.296 1.00 52.35 C ATOM 944 ND1 HIS A 59 4.066 -6.674 -6.892 1.00 75.11 N ATOM 945 CD2 HIS A 59 5.209 -8.477 -7.292 1.00 52.31 C ATOM 946 CE1 HIS A 59 4.131 -6.804 -8.186 1.00 31.31 C ATOM 947 NE2 HIS A 59 4.820 -7.891 -8.450 1.00 21.42 N ATOM 0 H HIS A 59 4.859 -7.922 -2.482 1.00 21.24 H new ATOM 0 HA HIS A 59 2.923 -8.609 -4.428 1.00 75.21 H new ATOM 0 HB2 HIS A 59 4.754 -6.837 -4.404 1.00 13.31 H new ATOM 0 HB3 HIS A 59 5.923 -8.124 -4.626 1.00 13.31 H new ATOM 0 HD1 HIS A 59 3.591 -5.919 -6.398 1.00 75.11 H new ATOM 0 HD2 HIS A 59 5.787 -9.384 -7.192 1.00 52.31 H new ATOM 0 HE1 HIS A 59 3.695 -6.136 -8.914 1.00 31.31 H new ATOM 0 HE2 HIS A 59 5.030 -8.241 -9.385 1.00 21.42 H new ATOM 956 N LYS A 60 5.300 -10.840 -3.843 1.00 4.54 N ATOM 957 CA LYS A 60 5.679 -12.237 -4.045 1.00 63.32 C ATOM 958 C LYS A 60 4.645 -13.188 -3.466 1.00 32.13 C ATOM 959 O LYS A 60 4.356 -14.230 -4.060 1.00 55.21 O ATOM 960 CB LYS A 60 7.060 -12.543 -3.460 1.00 2.32 C ATOM 961 CG LYS A 60 8.227 -11.927 -4.211 1.00 1.31 C ATOM 962 CD LYS A 60 8.316 -12.454 -5.648 1.00 14.13 C ATOM 963 CE LYS A 60 8.481 -13.975 -5.699 1.00 55.05 C ATOM 964 NZ LYS A 60 9.697 -14.428 -4.982 1.00 24.24 N ATOM 0 H LYS A 60 5.868 -10.348 -3.153 1.00 4.54 H new ATOM 0 HA LYS A 60 5.724 -12.393 -5.123 1.00 63.32 H new ATOM 0 HB2 LYS A 60 7.086 -12.193 -2.428 1.00 2.32 H new ATOM 0 HB3 LYS A 60 7.195 -13.624 -3.433 1.00 2.32 H new ATOM 0 HG2 LYS A 60 8.118 -10.843 -4.227 1.00 1.31 H new ATOM 0 HG3 LYS A 60 9.156 -12.147 -3.684 1.00 1.31 H new ATOM 0 HD2 LYS A 60 7.416 -12.170 -6.193 1.00 14.13 H new ATOM 0 HD3 LYS A 60 9.158 -11.982 -6.154 1.00 14.13 H new ATOM 0 HE2 LYS A 60 7.604 -14.449 -5.259 1.00 55.05 H new ATOM 0 HE3 LYS A 60 8.532 -14.299 -6.738 1.00 55.05 H new ATOM 0 HZ1 LYS A 60 9.834 -15.447 -5.141 1.00 24.24 H new ATOM 0 HZ2 LYS A 60 10.524 -13.907 -5.338 1.00 24.24 H new ATOM 0 HZ3 LYS A 60 9.587 -14.248 -3.964 1.00 24.24 H new ATOM 978 N ARG A 61 4.101 -12.831 -2.315 1.00 51.44 N ATOM 979 CA ARG A 61 3.045 -13.607 -1.660 1.00 63.11 C ATOM 980 C ARG A 61 1.887 -13.793 -2.606 1.00 23.41 C ATOM 981 O ARG A 61 1.499 -14.913 -2.945 1.00 45.22 O ATOM 982 CB ARG A 61 2.504 -12.850 -0.439 1.00 75.44 C ATOM 983 CG ARG A 61 3.419 -12.719 0.757 1.00 41.11 C ATOM 984 CD ARG A 61 3.605 -14.040 1.469 1.00 0.22 C ATOM 985 NE ARG A 61 4.355 -13.874 2.719 1.00 14.33 N ATOM 986 CZ ARG A 61 5.111 -14.805 3.307 1.00 35.42 C ATOM 987 NH1 ARG A 61 5.331 -15.980 2.715 1.00 63.11 N ATOM 988 NH2 ARG A 61 5.661 -14.556 4.493 1.00 63.31 N ATOM 0 H ARG A 61 4.375 -11.993 -1.802 1.00 51.44 H new ATOM 0 HA ARG A 61 3.471 -14.565 -1.362 1.00 63.11 H new ATOM 0 HB2 ARG A 61 2.224 -11.847 -0.761 1.00 75.44 H new ATOM 0 HB3 ARG A 61 1.590 -13.346 -0.112 1.00 75.44 H new ATOM 0 HG2 ARG A 61 4.389 -12.341 0.433 1.00 41.11 H new ATOM 0 HG3 ARG A 61 3.007 -11.987 1.451 1.00 41.11 H new ATOM 0 HD2 ARG A 61 2.631 -14.480 1.683 1.00 0.22 H new ATOM 0 HD3 ARG A 61 4.132 -14.736 0.816 1.00 0.22 H new ATOM 0 HE ARG A 61 4.294 -12.966 3.180 1.00 14.33 H new ATOM 0 HH11 ARG A 61 4.920 -16.176 1.802 1.00 63.11 H new ATOM 0 HH12 ARG A 61 5.910 -16.682 3.175 1.00 63.11 H new ATOM 0 HH21 ARG A 61 5.504 -13.657 4.949 1.00 63.31 H new ATOM 0 HH22 ARG A 61 6.239 -15.264 4.946 1.00 63.31 H new ATOM 1002 N ILE A 62 1.380 -12.691 -3.049 1.00 44.52 N ATOM 1003 CA ILE A 62 0.191 -12.648 -3.842 1.00 45.34 C ATOM 1004 C ILE A 62 0.328 -13.099 -5.271 1.00 2.33 C ATOM 1005 O ILE A 62 -0.685 -13.431 -5.880 1.00 71.01 O ATOM 1006 CB ILE A 62 -0.474 -11.304 -3.784 1.00 15.11 C ATOM 1007 CG1 ILE A 62 0.524 -10.195 -4.096 1.00 3.44 C ATOM 1008 CG2 ILE A 62 -1.184 -11.108 -2.458 1.00 31.32 C ATOM 1009 CD1 ILE A 62 -0.056 -8.835 -4.014 1.00 55.14 C ATOM 0 H ILE A 62 1.788 -11.774 -2.867 1.00 44.52 H new ATOM 0 HA ILE A 62 -0.444 -13.398 -3.370 1.00 45.34 H new ATOM 0 HB ILE A 62 -1.243 -11.257 -4.555 1.00 15.11 H new ATOM 0 HG12 ILE A 62 1.362 -10.266 -3.402 1.00 3.44 H new ATOM 0 HG13 ILE A 62 0.925 -10.350 -5.098 1.00 3.44 H new ATOM 0 HG21 ILE A 62 -1.658 -10.127 -2.441 1.00 31.32 H new ATOM 0 HG22 ILE A 62 -1.943 -11.880 -2.334 1.00 31.32 H new ATOM 0 HG23 ILE A 62 -0.461 -11.176 -1.645 1.00 31.32 H new ATOM 0 HD11 ILE A 62 0.712 -8.097 -4.248 1.00 55.14 H new ATOM 0 HD12 ILE A 62 -0.875 -8.745 -4.727 1.00 55.14 H new ATOM 0 HD13 ILE A 62 -0.432 -8.660 -3.006 1.00 55.14 H new ATOM 1021 N LYS A 63 1.542 -13.127 -5.850 1.00 43.52 N ATOM 1022 CA LYS A 63 1.629 -13.647 -7.226 1.00 42.42 C ATOM 1023 C LYS A 63 1.280 -15.126 -7.263 1.00 1.54 C ATOM 1024 O LYS A 63 0.903 -15.661 -8.298 1.00 51.43 O ATOM 1025 CB LYS A 63 2.955 -13.370 -7.966 1.00 14.22 C ATOM 1026 CG LYS A 63 4.215 -13.945 -7.344 1.00 71.10 C ATOM 1027 CD LYS A 63 5.363 -13.958 -8.364 1.00 51.24 C ATOM 1028 CE LYS A 63 5.662 -12.578 -8.953 1.00 63.11 C ATOM 1029 NZ LYS A 63 6.675 -12.658 -10.054 1.00 13.35 N ATOM 0 H LYS A 63 2.417 -12.820 -5.425 1.00 43.52 H new ATOM 0 HA LYS A 63 0.888 -13.075 -7.784 1.00 42.42 H new ATOM 0 HB2 LYS A 63 2.867 -13.761 -8.980 1.00 14.22 H new ATOM 0 HB3 LYS A 63 3.079 -12.290 -8.050 1.00 14.22 H new ATOM 0 HG2 LYS A 63 4.501 -13.353 -6.474 1.00 71.10 H new ATOM 0 HG3 LYS A 63 4.023 -14.958 -6.991 1.00 71.10 H new ATOM 0 HD2 LYS A 63 6.262 -14.344 -7.884 1.00 51.24 H new ATOM 0 HD3 LYS A 63 5.114 -14.645 -9.173 1.00 51.24 H new ATOM 0 HE2 LYS A 63 4.741 -12.137 -9.336 1.00 63.11 H new ATOM 0 HE3 LYS A 63 6.029 -11.918 -8.167 1.00 63.11 H new ATOM 0 HZ1 LYS A 63 6.867 -11.703 -10.419 1.00 13.35 H new ATOM 0 HZ2 LYS A 63 7.556 -13.071 -9.686 1.00 13.35 H new ATOM 0 HZ3 LYS A 63 6.307 -13.255 -10.822 1.00 13.35 H new ATOM 1043 N LYS A 64 1.408 -15.770 -6.118 1.00 3.32 N ATOM 1044 CA LYS A 64 1.004 -17.157 -5.958 1.00 52.34 C ATOM 1045 C LYS A 64 -0.536 -17.267 -5.944 1.00 24.02 C ATOM 1046 O LYS A 64 -1.095 -18.305 -6.280 1.00 12.23 O ATOM 1047 CB LYS A 64 1.553 -17.717 -4.635 1.00 60.44 C ATOM 1048 CG LYS A 64 3.071 -17.689 -4.492 1.00 64.23 C ATOM 1049 CD LYS A 64 3.760 -18.560 -5.527 1.00 42.02 C ATOM 1050 CE LYS A 64 5.268 -18.573 -5.330 1.00 74.15 C ATOM 1051 NZ LYS A 64 5.657 -19.102 -3.997 1.00 64.14 N ATOM 0 H LYS A 64 1.794 -15.349 -5.273 1.00 3.32 H new ATOM 0 HA LYS A 64 1.404 -17.729 -6.795 1.00 52.34 H new ATOM 0 HB2 LYS A 64 1.117 -17.151 -3.812 1.00 60.44 H new ATOM 0 HB3 LYS A 64 1.214 -18.747 -4.528 1.00 60.44 H new ATOM 0 HG2 LYS A 64 3.425 -16.663 -4.590 1.00 64.23 H new ATOM 0 HG3 LYS A 64 3.347 -18.027 -3.493 1.00 64.23 H new ATOM 0 HD2 LYS A 64 3.375 -19.578 -5.462 1.00 42.02 H new ATOM 0 HD3 LYS A 64 3.526 -18.194 -6.526 1.00 42.02 H new ATOM 0 HE2 LYS A 64 5.729 -19.181 -6.109 1.00 74.15 H new ATOM 0 HE3 LYS A 64 5.656 -17.561 -5.444 1.00 74.15 H new ATOM 0 HZ1 LYS A 64 6.671 -19.331 -3.997 1.00 64.14 H new ATOM 0 HZ2 LYS A 64 5.464 -18.385 -3.269 1.00 64.14 H new ATOM 0 HZ3 LYS A 64 5.108 -19.961 -3.791 1.00 64.14 H new ATOM 1065 N LEU A 65 -1.205 -16.183 -5.560 1.00 22.40 N ATOM 1066 CA LEU A 65 -2.664 -16.175 -5.429 1.00 2.12 C ATOM 1067 C LEU A 65 -3.383 -15.559 -6.622 1.00 72.35 C ATOM 1068 O LEU A 65 -4.169 -16.240 -7.296 1.00 61.21 O ATOM 1069 CB LEU A 65 -3.147 -15.487 -4.118 1.00 2.10 C ATOM 1070 CG LEU A 65 -2.894 -16.210 -2.773 1.00 5.21 C ATOM 1071 CD1 LEU A 65 -3.531 -17.587 -2.763 1.00 14.51 C ATOM 1072 CD2 LEU A 65 -1.420 -16.291 -2.434 1.00 12.31 C ATOM 0 H LEU A 65 -0.760 -15.294 -5.333 1.00 22.40 H new ATOM 0 HA LEU A 65 -2.932 -17.231 -5.390 1.00 2.12 H new ATOM 0 HB2 LEU A 65 -2.673 -14.507 -4.063 1.00 2.10 H new ATOM 0 HB3 LEU A 65 -4.220 -15.317 -4.207 1.00 2.10 H new ATOM 0 HG LEU A 65 -3.368 -15.609 -1.997 1.00 5.21 H new ATOM 0 HD11 LEU A 65 -3.337 -18.071 -1.806 1.00 14.51 H new ATOM 0 HD12 LEU A 65 -4.607 -17.491 -2.909 1.00 14.51 H new ATOM 0 HD13 LEU A 65 -3.108 -18.190 -3.567 1.00 14.51 H new ATOM 0 HD21 LEU A 65 -1.293 -16.806 -1.482 1.00 12.31 H new ATOM 0 HD22 LEU A 65 -0.896 -16.840 -3.216 1.00 12.31 H new ATOM 0 HD23 LEU A 65 -1.008 -15.285 -2.359 1.00 12.31 H new ATOM 1084 N TYR A 66 -3.125 -14.295 -6.898 1.00 20.14 N ATOM 1085 CA TYR A 66 -3.882 -13.600 -7.921 1.00 35.22 C ATOM 1086 C TYR A 66 -2.945 -13.077 -9.023 1.00 44.02 C ATOM 1087 O TYR A 66 -1.727 -13.306 -8.959 1.00 0.34 O ATOM 1088 CB TYR A 66 -4.759 -12.475 -7.267 1.00 75.32 C ATOM 1089 CG TYR A 66 -4.084 -11.221 -6.829 1.00 4.42 C ATOM 1090 CD1 TYR A 66 -3.959 -10.141 -7.676 1.00 24.15 C ATOM 1091 CD2 TYR A 66 -3.624 -11.099 -5.557 1.00 31.34 C ATOM 1092 CE1 TYR A 66 -3.375 -8.982 -7.253 1.00 75.03 C ATOM 1093 CE2 TYR A 66 -3.049 -9.954 -5.126 1.00 71.12 C ATOM 1094 CZ TYR A 66 -2.920 -8.898 -5.962 1.00 14.30 C ATOM 1095 OH TYR A 66 -2.305 -7.768 -5.501 1.00 72.13 O ATOM 0 H TYR A 66 -2.408 -13.735 -6.436 1.00 20.14 H new ATOM 0 HA TYR A 66 -4.568 -14.293 -8.408 1.00 35.22 H new ATOM 0 HB2 TYR A 66 -5.537 -12.203 -7.980 1.00 75.32 H new ATOM 0 HB3 TYR A 66 -5.259 -12.905 -6.399 1.00 75.32 H new ATOM 0 HD1 TYR A 66 -4.328 -10.213 -8.688 1.00 24.15 H new ATOM 0 HD2 TYR A 66 -3.719 -11.933 -4.877 1.00 31.34 H new ATOM 0 HE1 TYR A 66 -3.273 -8.143 -7.925 1.00 75.03 H new ATOM 0 HE2 TYR A 66 -2.691 -9.882 -4.110 1.00 71.12 H new ATOM 0 HH TYR A 66 -2.716 -7.494 -4.655 1.00 72.13 H new ATOM 1105 N LYS A 67 -3.503 -12.416 -10.043 1.00 4.32 N ATOM 1106 CA LYS A 67 -2.684 -11.864 -11.134 1.00 55.31 C ATOM 1107 C LYS A 67 -1.856 -10.718 -10.666 1.00 41.13 C ATOM 1108 O LYS A 67 -2.373 -9.695 -10.227 1.00 61.01 O ATOM 1109 CB LYS A 67 -3.501 -11.442 -12.324 1.00 73.42 C ATOM 1110 CG LYS A 67 -4.250 -12.555 -12.968 1.00 2.10 C ATOM 1111 CD LYS A 67 -4.870 -12.094 -14.248 1.00 0.53 C ATOM 1112 CE LYS A 67 -5.694 -13.192 -14.868 1.00 32.54 C ATOM 1113 NZ LYS A 67 -4.893 -14.416 -15.114 1.00 32.51 N ATOM 0 H LYS A 67 -4.505 -12.250 -10.138 1.00 4.32 H new ATOM 0 HA LYS A 67 -2.030 -12.676 -11.452 1.00 55.31 H new ATOM 0 HB2 LYS A 67 -4.209 -10.674 -12.012 1.00 73.42 H new ATOM 0 HB3 LYS A 67 -2.841 -10.987 -13.062 1.00 73.42 H new ATOM 0 HG2 LYS A 67 -3.577 -13.390 -13.163 1.00 2.10 H new ATOM 0 HG3 LYS A 67 -5.024 -12.920 -12.292 1.00 2.10 H new ATOM 0 HD2 LYS A 67 -5.498 -11.223 -14.060 1.00 0.53 H new ATOM 0 HD3 LYS A 67 -4.091 -11.781 -14.943 1.00 0.53 H new ATOM 0 HE2 LYS A 67 -6.531 -13.432 -14.212 1.00 32.54 H new ATOM 0 HE3 LYS A 67 -6.117 -12.840 -15.809 1.00 32.54 H new ATOM 0 HZ1 LYS A 67 -5.411 -15.046 -15.760 1.00 32.51 H new ATOM 0 HZ2 LYS A 67 -3.982 -14.154 -15.542 1.00 32.51 H new ATOM 0 HZ3 LYS A 67 -4.724 -14.907 -14.213 1.00 32.51 H new ATOM 1127 N VAL A 68 -0.585 -10.879 -10.788 1.00 41.21 N ATOM 1128 CA VAL A 68 0.369 -9.937 -10.269 1.00 75.51 C ATOM 1129 C VAL A 68 1.554 -9.815 -11.233 1.00 14.53 C ATOM 1130 O VAL A 68 2.131 -10.832 -11.633 1.00 34.12 O ATOM 1131 CB VAL A 68 0.897 -10.404 -8.857 1.00 20.43 C ATOM 1132 CG1 VAL A 68 1.909 -9.454 -8.290 1.00 24.05 C ATOM 1133 CG2 VAL A 68 -0.231 -10.583 -7.861 1.00 72.02 C ATOM 0 H VAL A 68 -0.162 -11.680 -11.258 1.00 41.21 H new ATOM 0 HA VAL A 68 -0.124 -8.970 -10.163 1.00 75.51 H new ATOM 0 HB VAL A 68 1.377 -11.368 -9.024 1.00 20.43 H new ATOM 0 HG11 VAL A 68 2.244 -9.816 -7.318 1.00 24.05 H new ATOM 0 HG12 VAL A 68 2.762 -9.386 -8.965 1.00 24.05 H new ATOM 0 HG13 VAL A 68 1.458 -8.468 -8.174 1.00 24.05 H new ATOM 0 HG21 VAL A 68 0.177 -10.905 -6.903 1.00 72.02 H new ATOM 0 HG22 VAL A 68 -0.756 -9.637 -7.732 1.00 72.02 H new ATOM 0 HG23 VAL A 68 -0.927 -11.336 -8.231 1.00 72.02 H new ATOM 1143 N PRO A 69 1.911 -8.577 -11.660 1.00 33.55 N ATOM 1144 CA PRO A 69 3.106 -8.328 -12.492 1.00 22.12 C ATOM 1145 C PRO A 69 4.374 -8.471 -11.632 1.00 22.11 C ATOM 1146 O PRO A 69 4.392 -9.234 -10.654 1.00 13.24 O ATOM 1147 CB PRO A 69 2.935 -6.851 -12.928 1.00 31.02 C ATOM 1148 CG PRO A 69 1.539 -6.482 -12.566 1.00 20.04 C ATOM 1149 CD PRO A 69 1.174 -7.338 -11.399 1.00 52.23 C ATOM 0 HA PRO A 69 3.201 -9.018 -13.330 1.00 22.12 H new ATOM 0 HB2 PRO A 69 3.654 -6.208 -12.421 1.00 31.02 H new ATOM 0 HB3 PRO A 69 3.105 -6.737 -13.999 1.00 31.02 H new ATOM 0 HG2 PRO A 69 1.469 -5.425 -12.311 1.00 20.04 H new ATOM 0 HG3 PRO A 69 0.861 -6.653 -13.402 1.00 20.04 H new ATOM 0 HD2 PRO A 69 1.471 -6.882 -10.455 1.00 52.23 H new ATOM 0 HD3 PRO A 69 0.099 -7.511 -11.345 1.00 52.23 H new ATOM 1157 N ASP A 70 5.420 -7.762 -11.957 1.00 32.44 N ATOM 1158 CA ASP A 70 6.631 -7.844 -11.161 1.00 14.25 C ATOM 1159 C ASP A 70 6.873 -6.576 -10.375 1.00 72.12 C ATOM 1160 O ASP A 70 6.199 -5.581 -10.597 1.00 41.14 O ATOM 1161 CB ASP A 70 7.827 -8.288 -11.979 1.00 21.23 C ATOM 1162 CG ASP A 70 7.636 -9.695 -12.475 1.00 4.14 C ATOM 1163 OD1 ASP A 70 7.790 -10.647 -11.662 1.00 74.33 O ATOM 1164 OD2 ASP A 70 7.289 -9.874 -13.667 1.00 1.32 O ATOM 0 H ASP A 70 5.467 -7.127 -12.754 1.00 32.44 H new ATOM 0 HA ASP A 70 6.481 -8.630 -10.420 1.00 14.25 H new ATOM 0 HB2 ASP A 70 7.966 -7.614 -12.824 1.00 21.23 H new ATOM 0 HB3 ASP A 70 8.731 -8.230 -11.373 1.00 21.23 H new ATOM 1169 N PHE A 71 7.783 -6.618 -9.426 1.00 15.04 N ATOM 1170 CA PHE A 71 7.991 -5.481 -8.538 1.00 51.20 C ATOM 1171 C PHE A 71 9.217 -4.659 -8.923 1.00 52.22 C ATOM 1172 O PHE A 71 10.094 -5.157 -9.633 1.00 52.33 O ATOM 1173 CB PHE A 71 8.063 -5.930 -7.046 1.00 32.53 C ATOM 1174 CG PHE A 71 9.144 -6.942 -6.701 1.00 52.24 C ATOM 1175 CD1 PHE A 71 10.488 -6.589 -6.691 1.00 33.52 C ATOM 1176 CD2 PHE A 71 8.807 -8.237 -6.376 1.00 41.23 C ATOM 1177 CE1 PHE A 71 11.464 -7.509 -6.367 1.00 62.15 C ATOM 1178 CE2 PHE A 71 9.779 -9.159 -6.049 1.00 34.40 C ATOM 1179 CZ PHE A 71 11.108 -8.795 -6.044 1.00 12.33 C ATOM 0 H PHE A 71 8.389 -7.418 -9.245 1.00 15.04 H new ATOM 0 HA PHE A 71 7.123 -4.832 -8.655 1.00 51.20 H new ATOM 0 HB2 PHE A 71 8.213 -5.044 -6.429 1.00 32.53 H new ATOM 0 HB3 PHE A 71 7.097 -6.352 -6.768 1.00 32.53 H new ATOM 0 HD1 PHE A 71 10.773 -5.578 -6.941 1.00 33.52 H new ATOM 0 HD2 PHE A 71 7.769 -8.534 -6.377 1.00 41.23 H new ATOM 0 HE1 PHE A 71 12.504 -7.218 -6.367 1.00 62.15 H new ATOM 0 HE2 PHE A 71 9.497 -10.170 -5.796 1.00 34.40 H new ATOM 0 HZ PHE A 71 11.867 -9.519 -5.787 1.00 12.33 H new ATOM 1189 N PRO A 72 9.288 -3.379 -8.483 1.00 13.22 N ATOM 1190 CA PRO A 72 10.455 -2.542 -8.719 1.00 30.03 C ATOM 1191 C PRO A 72 11.663 -3.056 -7.945 1.00 33.14 C ATOM 1192 O PRO A 72 11.518 -3.666 -6.862 1.00 60.11 O ATOM 1193 CB PRO A 72 10.052 -1.155 -8.191 1.00 11.51 C ATOM 1194 CG PRO A 72 8.576 -1.212 -8.016 1.00 23.12 C ATOM 1195 CD PRO A 72 8.240 -2.645 -7.747 1.00 35.12 C ATOM 0 HA PRO A 72 10.737 -2.531 -9.772 1.00 30.03 H new ATOM 0 HB2 PRO A 72 10.551 -0.934 -7.248 1.00 11.51 H new ATOM 0 HB3 PRO A 72 10.334 -0.370 -8.893 1.00 11.51 H new ATOM 0 HG2 PRO A 72 8.258 -0.576 -7.190 1.00 23.12 H new ATOM 0 HG3 PRO A 72 8.064 -0.854 -8.909 1.00 23.12 H new ATOM 0 HD2 PRO A 72 8.263 -2.871 -6.681 1.00 35.12 H new ATOM 0 HD3 PRO A 72 7.243 -2.899 -8.105 1.00 35.12 H new ATOM 1203 N SER A 73 12.828 -2.799 -8.489 1.00 42.44 N ATOM 1204 CA SER A 73 14.098 -3.218 -7.931 1.00 12.53 C ATOM 1205 C SER A 73 14.295 -2.683 -6.501 1.00 61.54 C ATOM 1206 O SER A 73 13.573 -1.779 -6.030 1.00 64.14 O ATOM 1207 CB SER A 73 15.217 -2.704 -8.859 1.00 0.51 C ATOM 1208 OG SER A 73 16.535 -3.035 -8.412 1.00 34.21 O ATOM 0 H SER A 73 12.925 -2.276 -9.360 1.00 42.44 H new ATOM 0 HA SER A 73 14.123 -4.306 -7.866 1.00 12.53 H new ATOM 0 HB2 SER A 73 15.067 -3.117 -9.857 1.00 0.51 H new ATOM 0 HB3 SER A 73 15.135 -1.621 -8.947 1.00 0.51 H new ATOM 0 HG SER A 73 17.194 -2.681 -9.046 1.00 34.21 H new ATOM 1214 N LYS A 74 15.253 -3.244 -5.807 1.00 62.53 N ATOM 1215 CA LYS A 74 15.579 -2.785 -4.485 1.00 12.41 C ATOM 1216 C LYS A 74 16.439 -1.530 -4.573 1.00 15.21 C ATOM 1217 O LYS A 74 16.619 -0.818 -3.585 1.00 33.15 O ATOM 1218 CB LYS A 74 16.284 -3.876 -3.669 1.00 62.10 C ATOM 1219 CG LYS A 74 17.603 -4.348 -4.249 1.00 1.40 C ATOM 1220 CD LYS A 74 18.232 -5.423 -3.392 1.00 53.14 C ATOM 1221 CE LYS A 74 19.549 -5.888 -3.976 1.00 14.32 C ATOM 1222 NZ LYS A 74 20.183 -6.932 -3.148 1.00 73.53 N ATOM 0 H LYS A 74 15.822 -4.023 -6.139 1.00 62.53 H new ATOM 0 HA LYS A 74 14.651 -2.544 -3.966 1.00 12.41 H new ATOM 0 HB2 LYS A 74 16.460 -3.500 -2.661 1.00 62.10 H new ATOM 0 HB3 LYS A 74 15.615 -4.732 -3.578 1.00 62.10 H new ATOM 0 HG2 LYS A 74 17.442 -4.732 -5.256 1.00 1.40 H new ATOM 0 HG3 LYS A 74 18.287 -3.504 -4.335 1.00 1.40 H new ATOM 0 HD2 LYS A 74 18.393 -5.040 -2.384 1.00 53.14 H new ATOM 0 HD3 LYS A 74 17.550 -6.269 -3.307 1.00 53.14 H new ATOM 0 HE2 LYS A 74 19.383 -6.274 -4.982 1.00 14.32 H new ATOM 0 HE3 LYS A 74 20.225 -5.038 -4.068 1.00 14.32 H new ATOM 0 HZ1 LYS A 74 21.082 -7.222 -3.583 1.00 73.53 H new ATOM 0 HZ2 LYS A 74 20.365 -6.557 -2.195 1.00 73.53 H new ATOM 0 HZ3 LYS A 74 19.550 -7.754 -3.081 1.00 73.53 H new ATOM 1236 N ARG A 75 16.967 -1.269 -5.766 1.00 22.21 N ATOM 1237 CA ARG A 75 17.802 -0.112 -5.987 1.00 23.15 C ATOM 1238 C ARG A 75 17.188 0.838 -6.996 1.00 14.01 C ATOM 1239 O ARG A 75 17.098 0.542 -8.193 1.00 23.53 O ATOM 1240 CB ARG A 75 19.221 -0.504 -6.409 1.00 70.23 C ATOM 1241 CG ARG A 75 19.992 -1.285 -5.360 1.00 31.20 C ATOM 1242 CD ARG A 75 20.134 -0.485 -4.080 1.00 21.41 C ATOM 1243 NE ARG A 75 20.859 -1.215 -3.047 1.00 61.12 N ATOM 1244 CZ ARG A 75 20.767 -0.958 -1.739 1.00 52.42 C ATOM 1245 NH1 ARG A 75 19.969 0.021 -1.301 1.00 3.21 N ATOM 1246 NH2 ARG A 75 21.474 -1.675 -0.868 1.00 11.43 N ATOM 0 H ARG A 75 16.825 -1.851 -6.592 1.00 22.21 H new ATOM 0 HA ARG A 75 17.871 0.410 -5.032 1.00 23.15 H new ATOM 0 HB2 ARG A 75 19.165 -1.100 -7.320 1.00 70.23 H new ATOM 0 HB3 ARG A 75 19.778 0.401 -6.653 1.00 70.23 H new ATOM 0 HG2 ARG A 75 19.479 -2.224 -5.151 1.00 31.20 H new ATOM 0 HG3 ARG A 75 20.979 -1.540 -5.745 1.00 31.20 H new ATOM 0 HD2 ARG A 75 20.654 0.449 -4.294 1.00 21.41 H new ATOM 0 HD3 ARG A 75 19.144 -0.221 -3.708 1.00 21.41 H new ATOM 0 HE ARG A 75 21.477 -1.971 -3.342 1.00 61.12 H new ATOM 0 HH11 ARG A 75 19.428 0.574 -1.966 1.00 3.21 H new ATOM 0 HH12 ARG A 75 19.901 0.215 -0.302 1.00 3.21 H new ATOM 0 HH21 ARG A 75 22.086 -2.421 -1.199 1.00 11.43 H new ATOM 0 HH22 ARG A 75 21.404 -1.479 0.130 1.00 11.43 H new ATOM 1260 N LEU A 76 16.761 1.947 -6.492 1.00 61.23 N ATOM 1261 CA LEU A 76 16.201 3.049 -7.255 1.00 10.30 C ATOM 1262 C LEU A 76 17.148 4.245 -7.076 1.00 23.40 C ATOM 1263 O LEU A 76 18.169 4.084 -6.400 1.00 25.11 O ATOM 1264 CB LEU A 76 14.761 3.354 -6.735 1.00 73.44 C ATOM 1265 CG LEU A 76 13.562 2.629 -7.412 1.00 32.23 C ATOM 1266 CD1 LEU A 76 13.364 3.127 -8.828 1.00 23.01 C ATOM 1267 CD2 LEU A 76 13.738 1.125 -7.426 1.00 15.32 C ATOM 0 H LEU A 76 16.788 2.134 -5.490 1.00 61.23 H new ATOM 0 HA LEU A 76 16.114 2.815 -8.316 1.00 10.30 H new ATOM 0 HB2 LEU A 76 14.735 3.117 -5.671 1.00 73.44 H new ATOM 0 HB3 LEU A 76 14.595 4.427 -6.827 1.00 73.44 H new ATOM 0 HG LEU A 76 12.679 2.861 -6.817 1.00 32.23 H new ATOM 0 HD11 LEU A 76 12.521 2.607 -9.282 1.00 23.01 H new ATOM 0 HD12 LEU A 76 13.163 4.198 -8.812 1.00 23.01 H new ATOM 0 HD13 LEU A 76 14.265 2.935 -9.411 1.00 23.01 H new ATOM 0 HD21 LEU A 76 12.877 0.662 -7.908 1.00 15.32 H new ATOM 0 HD22 LEU A 76 14.643 0.870 -7.977 1.00 15.32 H new ATOM 0 HD23 LEU A 76 13.821 0.759 -6.403 1.00 15.32 H new ATOM 1279 N PRO A 77 16.885 5.438 -7.692 1.00 73.22 N ATOM 1280 CA PRO A 77 17.737 6.623 -7.489 1.00 44.23 C ATOM 1281 C PRO A 77 17.942 6.939 -6.004 1.00 13.44 C ATOM 1282 O PRO A 77 17.125 6.572 -5.164 1.00 32.11 O ATOM 1283 CB PRO A 77 16.939 7.746 -8.145 1.00 61.22 C ATOM 1284 CG PRO A 77 16.140 7.069 -9.192 1.00 73.02 C ATOM 1285 CD PRO A 77 15.791 5.721 -8.645 1.00 14.11 C ATOM 0 HA PRO A 77 18.735 6.481 -7.903 1.00 44.23 H new ATOM 0 HB2 PRO A 77 16.299 8.253 -7.423 1.00 61.22 H new ATOM 0 HB3 PRO A 77 17.596 8.502 -8.574 1.00 61.22 H new ATOM 0 HG2 PRO A 77 15.241 7.639 -9.425 1.00 73.02 H new ATOM 0 HG3 PRO A 77 16.708 6.978 -10.118 1.00 73.02 H new ATOM 0 HD2 PRO A 77 14.820 5.729 -8.150 1.00 14.11 H new ATOM 0 HD3 PRO A 77 15.741 4.969 -9.433 1.00 14.11 H new ATOM 1293 N ASN A 78 19.011 7.652 -5.692 1.00 42.21 N ATOM 1294 CA ASN A 78 19.359 7.991 -4.293 1.00 44.02 C ATOM 1295 C ASN A 78 18.483 9.096 -3.724 1.00 72.01 C ATOM 1296 O ASN A 78 18.803 9.681 -2.688 1.00 51.33 O ATOM 1297 CB ASN A 78 20.834 8.383 -4.161 1.00 4.01 C ATOM 1298 CG ASN A 78 21.791 7.253 -4.473 1.00 74.13 C ATOM 1299 OD1 ASN A 78 22.208 7.080 -5.614 1.00 75.15 O ATOM 1300 ND2 ASN A 78 22.145 6.482 -3.474 1.00 64.42 N ATOM 0 H ASN A 78 19.667 8.017 -6.383 1.00 42.21 H new ATOM 0 HA ASN A 78 19.177 7.087 -3.712 1.00 44.02 H new ATOM 0 HB2 ASN A 78 21.041 9.218 -4.830 1.00 4.01 H new ATOM 0 HB3 ASN A 78 21.019 8.735 -3.146 1.00 4.01 H new ATOM 0 HD21 ASN A 78 22.789 5.706 -3.631 1.00 64.42 H new ATOM 0 HD22 ASN A 78 21.777 6.658 -2.539 1.00 64.42 H new ATOM 1307 N TRP A 79 17.378 9.378 -4.416 1.00 3.35 N ATOM 1308 CA TRP A 79 16.330 10.358 -4.026 1.00 54.11 C ATOM 1309 C TRP A 79 16.815 11.815 -4.193 1.00 14.41 C ATOM 1310 O TRP A 79 16.020 12.741 -4.402 1.00 22.23 O ATOM 1311 CB TRP A 79 15.792 10.075 -2.592 1.00 35.30 C ATOM 1312 CG TRP A 79 15.516 8.597 -2.345 1.00 4.42 C ATOM 1313 CD1 TRP A 79 15.987 7.841 -1.305 1.00 22.24 C ATOM 1314 CD2 TRP A 79 14.780 7.692 -3.186 1.00 1.12 C ATOM 1315 NE1 TRP A 79 15.568 6.539 -1.433 1.00 62.43 N ATOM 1316 CE2 TRP A 79 14.834 6.420 -2.578 1.00 34.13 C ATOM 1317 CE3 TRP A 79 14.076 7.834 -4.384 1.00 12.54 C ATOM 1318 CZ2 TRP A 79 14.218 5.308 -3.132 1.00 32.10 C ATOM 1319 CZ3 TRP A 79 13.469 6.730 -4.929 1.00 34.42 C ATOM 1320 CH2 TRP A 79 13.545 5.481 -4.304 1.00 65.01 C ATOM 0 H TRP A 79 17.168 8.918 -5.302 1.00 3.35 H new ATOM 0 HA TRP A 79 15.492 10.230 -4.711 1.00 54.11 H new ATOM 0 HB2 TRP A 79 16.517 10.432 -1.860 1.00 35.30 H new ATOM 0 HB3 TRP A 79 14.875 10.642 -2.435 1.00 35.30 H new ATOM 0 HD1 TRP A 79 16.601 8.215 -0.499 1.00 22.24 H new ATOM 0 HE1 TRP A 79 15.772 5.784 -0.779 1.00 62.43 H new ATOM 0 HE3 TRP A 79 14.010 8.795 -4.873 1.00 12.54 H new ATOM 0 HZ2 TRP A 79 14.270 4.342 -2.653 1.00 32.10 H new ATOM 0 HZ3 TRP A 79 12.924 6.827 -5.856 1.00 34.42 H new ATOM 0 HH2 TRP A 79 13.058 4.633 -4.762 1.00 65.01 H new ATOM 1331 N ARG A 80 18.113 12.000 -4.090 1.00 3.21 N ATOM 1332 CA ARG A 80 18.754 13.277 -4.305 1.00 72.14 C ATOM 1333 C ARG A 80 18.850 13.549 -5.815 1.00 60.11 C ATOM 1334 O ARG A 80 18.616 14.669 -6.282 1.00 3.12 O ATOM 1335 CB ARG A 80 20.161 13.238 -3.706 1.00 51.14 C ATOM 1336 CG ARG A 80 20.904 14.566 -3.730 1.00 34.44 C ATOM 1337 CD ARG A 80 22.343 14.395 -3.260 1.00 54.13 C ATOM 1338 NE ARG A 80 22.435 13.779 -1.930 1.00 40.22 N ATOM 1339 CZ ARG A 80 23.547 13.224 -1.421 1.00 61.13 C ATOM 1340 NH1 ARG A 80 24.680 13.226 -2.119 1.00 75.04 N ATOM 1341 NH2 ARG A 80 23.519 12.661 -0.219 1.00 43.51 N ATOM 0 H ARG A 80 18.764 11.252 -3.850 1.00 3.21 H new ATOM 0 HA ARG A 80 18.173 14.067 -3.829 1.00 72.14 H new ATOM 0 HB2 ARG A 80 20.091 12.896 -2.673 1.00 51.14 H new ATOM 0 HB3 ARG A 80 20.751 12.498 -4.248 1.00 51.14 H new ATOM 0 HG2 ARG A 80 20.894 14.974 -4.741 1.00 34.44 H new ATOM 0 HG3 ARG A 80 20.392 15.285 -3.091 1.00 34.44 H new ATOM 0 HD2 ARG A 80 22.885 13.781 -3.979 1.00 54.13 H new ATOM 0 HD3 ARG A 80 22.832 15.369 -3.240 1.00 54.13 H new ATOM 0 HE ARG A 80 21.595 13.772 -1.352 1.00 40.22 H new ATOM 0 HH11 ARG A 80 24.707 13.651 -3.046 1.00 75.04 H new ATOM 0 HH12 ARG A 80 25.521 12.803 -1.727 1.00 75.04 H new ATOM 0 HH21 ARG A 80 22.652 12.650 0.319 1.00 43.51 H new ATOM 0 HH22 ARG A 80 24.364 12.240 0.167 1.00 43.51 H new ATOM 1355 N THR A 81 19.170 12.501 -6.561 1.00 41.24 N ATOM 1356 CA THR A 81 19.361 12.573 -8.001 1.00 42.24 C ATOM 1357 C THR A 81 18.025 12.705 -8.741 1.00 22.50 C ATOM 1358 O THR A 81 17.874 13.536 -9.640 1.00 51.12 O ATOM 1359 CB THR A 81 20.100 11.311 -8.467 1.00 2.41 C ATOM 1360 OG1 THR A 81 19.446 10.153 -7.902 1.00 70.14 O ATOM 1361 CG2 THR A 81 21.554 11.338 -8.022 1.00 31.33 C ATOM 0 H THR A 81 19.306 11.566 -6.177 1.00 41.24 H new ATOM 0 HA THR A 81 19.950 13.461 -8.231 1.00 42.24 H new ATOM 0 HB THR A 81 20.076 11.268 -9.556 1.00 2.41 H new ATOM 0 HG1 THR A 81 19.909 9.340 -8.195 1.00 70.14 H new ATOM 0 HG21 THR A 81 22.056 10.433 -8.364 1.00 31.33 H new ATOM 0 HG22 THR A 81 22.049 12.211 -8.448 1.00 31.33 H new ATOM 0 HG23 THR A 81 21.601 11.389 -6.934 1.00 31.33 H new ATOM 1369 N ARG A 82 17.079 11.897 -8.349 1.00 1.22 N ATOM 1370 CA ARG A 82 15.732 11.929 -8.872 1.00 15.51 C ATOM 1371 C ARG A 82 14.770 11.859 -7.727 1.00 41.23 C ATOM 1372 O ARG A 82 15.029 11.158 -6.753 1.00 12.31 O ATOM 1373 CB ARG A 82 15.483 10.826 -9.926 1.00 13.14 C ATOM 1374 CG ARG A 82 16.132 11.129 -11.277 1.00 11.43 C ATOM 1375 CD ARG A 82 15.930 10.018 -12.299 1.00 44.11 C ATOM 1376 NE ARG A 82 16.733 8.826 -12.010 1.00 25.01 N ATOM 1377 CZ ARG A 82 16.601 7.641 -12.628 1.00 45.14 C ATOM 1378 NH1 ARG A 82 15.619 7.445 -13.494 1.00 1.00 N ATOM 1379 NH2 ARG A 82 17.453 6.661 -12.365 1.00 71.24 N ATOM 0 H ARG A 82 17.222 11.178 -7.639 1.00 1.22 H new ATOM 0 HA ARG A 82 15.578 12.867 -9.405 1.00 15.51 H new ATOM 0 HB2 ARG A 82 15.868 9.878 -9.549 1.00 13.14 H new ATOM 0 HB3 ARG A 82 14.409 10.701 -10.065 1.00 13.14 H new ATOM 0 HG2 ARG A 82 15.719 12.057 -11.672 1.00 11.43 H new ATOM 0 HG3 ARG A 82 17.200 11.292 -11.132 1.00 11.43 H new ATOM 0 HD2 ARG A 82 14.876 9.742 -12.325 1.00 44.11 H new ATOM 0 HD3 ARG A 82 16.187 10.392 -13.290 1.00 44.11 H new ATOM 0 HE ARG A 82 17.446 8.902 -11.285 1.00 25.01 H new ATOM 0 HH11 ARG A 82 14.958 8.196 -13.694 1.00 1.00 H new ATOM 0 HH12 ARG A 82 15.523 6.543 -13.961 1.00 1.00 H new ATOM 0 HH21 ARG A 82 18.207 6.807 -11.694 1.00 71.24 H new ATOM 0 HH22 ARG A 82 17.355 5.760 -12.833 1.00 71.24 H new ATOM 1393 N GLY A 83 13.687 12.605 -7.840 1.00 72.13 N ATOM 1394 CA GLY A 83 12.740 12.772 -6.756 1.00 65.23 C ATOM 1395 C GLY A 83 12.136 11.503 -6.212 1.00 24.34 C ATOM 1396 O GLY A 83 12.014 10.490 -6.913 1.00 62.15 O ATOM 0 H GLY A 83 13.440 13.113 -8.689 1.00 72.13 H new ATOM 0 HA2 GLY A 83 13.239 13.294 -5.939 1.00 65.23 H new ATOM 0 HA3 GLY A 83 11.932 13.418 -7.100 1.00 65.23 H new ATOM 1400 N LEU A 84 11.706 11.594 -4.967 1.00 34.05 N ATOM 1401 CA LEU A 84 11.102 10.498 -4.237 1.00 70.32 C ATOM 1402 C LEU A 84 9.765 10.142 -4.894 1.00 74.25 C ATOM 1403 O LEU A 84 9.258 9.026 -4.759 1.00 52.43 O ATOM 1404 CB LEU A 84 10.914 10.934 -2.757 1.00 61.42 C ATOM 1405 CG LEU A 84 10.688 9.842 -1.680 1.00 63.44 C ATOM 1406 CD1 LEU A 84 9.357 9.108 -1.806 1.00 65.52 C ATOM 1407 CD2 LEU A 84 11.834 8.861 -1.714 1.00 41.22 C ATOM 0 H LEU A 84 11.769 12.455 -4.423 1.00 34.05 H new ATOM 0 HA LEU A 84 11.737 9.612 -4.258 1.00 70.32 H new ATOM 0 HB2 LEU A 84 11.795 11.506 -2.467 1.00 61.42 H new ATOM 0 HB3 LEU A 84 10.064 11.616 -2.719 1.00 61.42 H new ATOM 0 HG LEU A 84 10.649 10.355 -0.719 1.00 63.44 H new ATOM 0 HD11 LEU A 84 9.277 8.361 -1.016 1.00 65.52 H new ATOM 0 HD12 LEU A 84 8.538 9.822 -1.715 1.00 65.52 H new ATOM 0 HD13 LEU A 84 9.303 8.616 -2.777 1.00 65.52 H new ATOM 0 HD21 LEU A 84 11.677 8.092 -0.957 1.00 41.22 H new ATOM 0 HD22 LEU A 84 11.886 8.396 -2.699 1.00 41.22 H new ATOM 0 HD23 LEU A 84 12.768 9.385 -1.511 1.00 41.22 H new ATOM 1419 N GLU A 85 9.218 11.091 -5.629 1.00 53.12 N ATOM 1420 CA GLU A 85 7.992 10.894 -6.360 1.00 0.14 C ATOM 1421 C GLU A 85 8.110 9.717 -7.341 1.00 43.24 C ATOM 1422 O GLU A 85 7.131 9.010 -7.597 1.00 73.40 O ATOM 1423 CB GLU A 85 7.572 12.183 -7.056 1.00 61.02 C ATOM 1424 CG GLU A 85 6.306 12.067 -7.866 1.00 73.11 C ATOM 1425 CD GLU A 85 5.814 13.388 -8.347 1.00 11.31 C ATOM 1426 OE1 GLU A 85 6.368 13.919 -9.316 1.00 34.45 O ATOM 1427 OE2 GLU A 85 4.869 13.924 -7.741 1.00 64.34 O ATOM 0 H GLU A 85 9.618 12.024 -5.733 1.00 53.12 H new ATOM 0 HA GLU A 85 7.206 10.633 -5.651 1.00 0.14 H new ATOM 0 HB2 GLU A 85 7.438 12.961 -6.304 1.00 61.02 H new ATOM 0 HB3 GLU A 85 8.380 12.508 -7.711 1.00 61.02 H new ATOM 0 HG2 GLU A 85 6.484 11.416 -8.722 1.00 73.11 H new ATOM 0 HG3 GLU A 85 5.533 11.593 -7.261 1.00 73.11 H new ATOM 1434 N GLN A 86 9.323 9.482 -7.846 1.00 13.11 N ATOM 1435 CA GLN A 86 9.562 8.361 -8.741 1.00 3.02 C ATOM 1436 C GLN A 86 9.276 7.049 -8.016 1.00 31.50 C ATOM 1437 O GLN A 86 8.731 6.111 -8.596 1.00 13.33 O ATOM 1438 CB GLN A 86 11.000 8.369 -9.274 1.00 41.22 C ATOM 1439 CG GLN A 86 11.383 9.634 -10.034 1.00 71.04 C ATOM 1440 CD GLN A 86 10.452 9.929 -11.190 1.00 2.10 C ATOM 1441 OE1 GLN A 86 9.447 10.641 -11.034 1.00 72.12 O ATOM 1442 NE2 GLN A 86 10.751 9.391 -12.336 1.00 63.24 N ATOM 0 H GLN A 86 10.146 10.052 -7.649 1.00 13.11 H new ATOM 0 HA GLN A 86 8.890 8.457 -9.594 1.00 3.02 H new ATOM 0 HB2 GLN A 86 11.686 8.241 -8.436 1.00 41.22 H new ATOM 0 HB3 GLN A 86 11.136 7.510 -9.931 1.00 41.22 H new ATOM 0 HG2 GLN A 86 11.381 10.480 -9.347 1.00 71.04 H new ATOM 0 HG3 GLN A 86 12.401 9.532 -10.410 1.00 71.04 H new ATOM 0 HE21 GLN A 86 11.586 8.812 -12.425 1.00 63.24 H new ATOM 0 HE22 GLN A 86 10.151 9.549 -13.145 1.00 63.24 H new ATOM 1451 N ARG A 87 9.601 7.025 -6.732 1.00 72.54 N ATOM 1452 CA ARG A 87 9.403 5.858 -5.895 1.00 44.04 C ATOM 1453 C ARG A 87 7.931 5.608 -5.631 1.00 20.11 C ATOM 1454 O ARG A 87 7.425 4.545 -5.946 1.00 10.24 O ATOM 1455 CB ARG A 87 10.131 6.061 -4.565 1.00 44.33 C ATOM 1456 CG ARG A 87 9.889 4.991 -3.508 1.00 24.21 C ATOM 1457 CD ARG A 87 10.687 5.311 -2.261 1.00 3.44 C ATOM 1458 NE ARG A 87 10.425 4.382 -1.150 1.00 1.45 N ATOM 1459 CZ ARG A 87 11.223 4.236 -0.070 1.00 52.22 C ATOM 1460 NH1 ARG A 87 12.363 4.914 0.017 1.00 43.24 N ATOM 1461 NH2 ARG A 87 10.871 3.410 0.912 1.00 42.43 N ATOM 0 H ARG A 87 10.011 7.820 -6.242 1.00 72.54 H new ATOM 0 HA ARG A 87 9.805 4.991 -6.418 1.00 44.04 H new ATOM 0 HB2 ARG A 87 11.202 6.114 -4.763 1.00 44.33 H new ATOM 0 HB3 ARG A 87 9.834 7.026 -4.153 1.00 44.33 H new ATOM 0 HG2 ARG A 87 8.827 4.938 -3.268 1.00 24.21 H new ATOM 0 HG3 ARG A 87 10.177 4.013 -3.894 1.00 24.21 H new ATOM 0 HD2 ARG A 87 11.750 5.288 -2.502 1.00 3.44 H new ATOM 0 HD3 ARG A 87 10.455 6.326 -1.939 1.00 3.44 H new ATOM 0 HE ARG A 87 9.583 3.809 -1.199 1.00 1.45 H new ATOM 0 HH11 ARG A 87 12.638 5.548 -0.734 1.00 43.24 H new ATOM 0 HH12 ARG A 87 12.963 4.801 0.834 1.00 43.24 H new ATOM 0 HH21 ARG A 87 9.998 2.886 0.850 1.00 42.43 H new ATOM 0 HH22 ARG A 87 11.474 3.300 1.727 1.00 42.43 H new ATOM 1475 N ARG A 88 7.235 6.606 -5.091 1.00 1.45 N ATOM 1476 CA ARG A 88 5.827 6.424 -4.742 1.00 64.35 C ATOM 1477 C ARG A 88 4.981 6.096 -5.972 1.00 21.43 C ATOM 1478 O ARG A 88 4.218 5.157 -5.939 1.00 72.35 O ATOM 1479 CB ARG A 88 5.246 7.605 -3.950 1.00 3.23 C ATOM 1480 CG ARG A 88 5.238 8.891 -4.703 1.00 75.13 C ATOM 1481 CD ARG A 88 4.582 10.009 -3.942 1.00 21.25 C ATOM 1482 NE ARG A 88 4.461 11.199 -4.786 1.00 14.34 N ATOM 1483 CZ ARG A 88 4.115 12.418 -4.358 1.00 24.50 C ATOM 1484 NH1 ARG A 88 3.910 12.645 -3.059 1.00 71.44 N ATOM 1485 NH2 ARG A 88 4.005 13.412 -5.222 1.00 73.42 N ATOM 0 H ARG A 88 7.613 7.532 -4.888 1.00 1.45 H new ATOM 0 HA ARG A 88 5.787 5.564 -4.073 1.00 64.35 H new ATOM 0 HB2 ARG A 88 4.226 7.363 -3.652 1.00 3.23 H new ATOM 0 HB3 ARG A 88 5.823 7.735 -3.034 1.00 3.23 H new ATOM 0 HG2 ARG A 88 6.263 9.173 -4.942 1.00 75.13 H new ATOM 0 HG3 ARG A 88 4.718 8.749 -5.650 1.00 75.13 H new ATOM 0 HD2 ARG A 88 3.595 9.695 -3.601 1.00 21.25 H new ATOM 0 HD3 ARG A 88 5.167 10.244 -3.053 1.00 21.25 H new ATOM 0 HE ARG A 88 4.656 11.090 -5.781 1.00 14.34 H new ATOM 0 HH11 ARG A 88 4.017 11.886 -2.386 1.00 71.44 H new ATOM 0 HH12 ARG A 88 3.646 13.577 -2.740 1.00 71.44 H new ATOM 0 HH21 ARG A 88 4.184 13.249 -6.213 1.00 73.42 H new ATOM 0 HH22 ARG A 88 3.741 14.343 -4.898 1.00 73.42 H new ATOM 1499 N GLN A 89 5.154 6.842 -7.073 1.00 62.24 N ATOM 1500 CA GLN A 89 4.427 6.530 -8.304 1.00 41.54 C ATOM 1501 C GLN A 89 4.863 5.222 -8.920 1.00 14.44 C ATOM 1502 O GLN A 89 4.129 4.634 -9.711 1.00 34.42 O ATOM 1503 CB GLN A 89 4.418 7.666 -9.344 1.00 0.54 C ATOM 1504 CG GLN A 89 3.268 8.667 -9.191 1.00 51.23 C ATOM 1505 CD GLN A 89 3.274 9.454 -7.904 1.00 13.05 C ATOM 1506 OE1 GLN A 89 4.314 9.748 -7.348 1.00 14.33 O ATOM 1507 NE2 GLN A 89 2.110 9.775 -7.417 1.00 4.14 N ATOM 0 H GLN A 89 5.777 7.647 -7.134 1.00 62.24 H new ATOM 0 HA GLN A 89 3.392 6.418 -7.983 1.00 41.54 H new ATOM 0 HB2 GLN A 89 5.362 8.206 -9.280 1.00 0.54 H new ATOM 0 HB3 GLN A 89 4.369 7.227 -10.341 1.00 0.54 H new ATOM 0 HG2 GLN A 89 3.301 9.366 -10.027 1.00 51.23 H new ATOM 0 HG3 GLN A 89 2.324 8.127 -9.265 1.00 51.23 H new ATOM 0 HE21 GLN A 89 1.259 9.510 -7.913 1.00 4.14 H new ATOM 0 HE22 GLN A 89 2.049 10.291 -6.539 1.00 4.14 H new ATOM 1516 N GLY A 90 6.054 4.760 -8.576 1.00 74.43 N ATOM 1517 CA GLY A 90 6.487 3.472 -9.048 1.00 31.22 C ATOM 1518 C GLY A 90 5.662 2.390 -8.396 1.00 33.22 C ATOM 1519 O GLY A 90 5.058 1.558 -9.075 1.00 32.33 O ATOM 0 H GLY A 90 6.721 5.253 -7.983 1.00 74.43 H new ATOM 0 HA2 GLY A 90 6.385 3.418 -10.132 1.00 31.22 H new ATOM 0 HA3 GLY A 90 7.543 3.326 -8.819 1.00 31.22 H new ATOM 1523 N LEU A 91 5.580 2.443 -7.077 1.00 2.34 N ATOM 1524 CA LEU A 91 4.784 1.486 -6.335 1.00 51.33 C ATOM 1525 C LEU A 91 3.297 1.671 -6.625 1.00 70.03 C ATOM 1526 O LEU A 91 2.594 0.702 -6.850 1.00 31.41 O ATOM 1527 CB LEU A 91 5.059 1.523 -4.805 1.00 53.35 C ATOM 1528 CG LEU A 91 6.424 0.981 -4.288 1.00 71.04 C ATOM 1529 CD1 LEU A 91 6.647 -0.446 -4.718 1.00 53.31 C ATOM 1530 CD2 LEU A 91 7.599 1.847 -4.685 1.00 64.51 C ATOM 0 H LEU A 91 6.055 3.138 -6.501 1.00 2.34 H new ATOM 0 HA LEU A 91 5.088 0.498 -6.681 1.00 51.33 H new ATOM 0 HB2 LEU A 91 4.965 2.558 -4.475 1.00 53.35 H new ATOM 0 HB3 LEU A 91 4.268 0.958 -4.311 1.00 53.35 H new ATOM 0 HG LEU A 91 6.365 1.014 -3.200 1.00 71.04 H new ATOM 0 HD11 LEU A 91 7.609 -0.794 -4.341 1.00 53.31 H new ATOM 0 HD12 LEU A 91 5.852 -1.075 -4.318 1.00 53.31 H new ATOM 0 HD13 LEU A 91 6.642 -0.503 -5.807 1.00 53.31 H new ATOM 0 HD21 LEU A 91 8.519 1.413 -4.293 1.00 64.51 H new ATOM 0 HD22 LEU A 91 7.658 1.904 -5.772 1.00 64.51 H new ATOM 0 HD23 LEU A 91 7.467 2.849 -4.276 1.00 64.51 H new ATOM 1542 N GLU A 92 2.847 2.927 -6.666 1.00 62.43 N ATOM 1543 CA GLU A 92 1.443 3.267 -6.919 1.00 13.30 C ATOM 1544 C GLU A 92 0.975 2.683 -8.256 1.00 21.25 C ATOM 1545 O GLU A 92 -0.153 2.191 -8.371 1.00 13.54 O ATOM 1546 CB GLU A 92 1.261 4.790 -6.905 1.00 2.40 C ATOM 1547 CG GLU A 92 -0.176 5.267 -7.005 1.00 41.12 C ATOM 1548 CD GLU A 92 -0.282 6.775 -6.975 1.00 1.40 C ATOM 1549 OE1 GLU A 92 -0.227 7.365 -5.874 1.00 5.42 O ATOM 1550 OE2 GLU A 92 -0.434 7.394 -8.060 1.00 32.04 O ATOM 0 H GLU A 92 3.447 3.740 -6.524 1.00 62.43 H new ATOM 0 HA GLU A 92 0.832 2.832 -6.128 1.00 13.30 H new ATOM 0 HB2 GLU A 92 1.695 5.184 -5.986 1.00 2.40 H new ATOM 0 HB3 GLU A 92 1.827 5.216 -7.733 1.00 2.40 H new ATOM 0 HG2 GLU A 92 -0.618 4.892 -7.928 1.00 41.12 H new ATOM 0 HG3 GLU A 92 -0.754 4.848 -6.182 1.00 41.12 H new ATOM 1557 N ALA A 93 1.854 2.715 -9.253 1.00 62.15 N ATOM 1558 CA ALA A 93 1.549 2.160 -10.560 1.00 3.13 C ATOM 1559 C ALA A 93 1.323 0.653 -10.467 1.00 43.14 C ATOM 1560 O ALA A 93 0.297 0.138 -10.943 1.00 61.43 O ATOM 1561 CB ALA A 93 2.658 2.472 -11.554 1.00 25.31 C ATOM 0 H ALA A 93 2.786 3.122 -9.176 1.00 62.15 H new ATOM 0 HA ALA A 93 0.630 2.625 -10.917 1.00 3.13 H new ATOM 0 HB1 ALA A 93 2.407 2.046 -12.525 1.00 25.31 H new ATOM 0 HB2 ALA A 93 2.768 3.552 -11.649 1.00 25.31 H new ATOM 0 HB3 ALA A 93 3.595 2.042 -11.201 1.00 25.31 H new ATOM 1567 N TYR A 94 2.253 -0.049 -9.828 1.00 10.23 N ATOM 1568 CA TYR A 94 2.137 -1.501 -9.694 1.00 22.22 C ATOM 1569 C TYR A 94 1.002 -1.916 -8.764 1.00 45.12 C ATOM 1570 O TYR A 94 0.335 -2.922 -9.016 1.00 1.54 O ATOM 1571 CB TYR A 94 3.449 -2.159 -9.255 1.00 15.35 C ATOM 1572 CG TYR A 94 4.566 -2.059 -10.263 1.00 41.44 C ATOM 1573 CD1 TYR A 94 4.622 -2.913 -11.352 1.00 71.30 C ATOM 1574 CD2 TYR A 94 5.570 -1.125 -10.120 1.00 73.25 C ATOM 1575 CE1 TYR A 94 5.651 -2.836 -12.265 1.00 3.20 C ATOM 1576 CE2 TYR A 94 6.599 -1.036 -11.028 1.00 4.12 C ATOM 1577 CZ TYR A 94 6.637 -1.890 -12.095 1.00 65.43 C ATOM 1578 OH TYR A 94 7.672 -1.805 -12.994 1.00 51.52 O ATOM 0 H TYR A 94 3.086 0.355 -9.399 1.00 10.23 H new ATOM 0 HA TYR A 94 1.899 -1.863 -10.694 1.00 22.22 H new ATOM 0 HB2 TYR A 94 3.776 -1.700 -8.322 1.00 15.35 H new ATOM 0 HB3 TYR A 94 3.260 -3.212 -9.044 1.00 15.35 H new ATOM 0 HD1 TYR A 94 3.846 -3.652 -11.488 1.00 71.30 H new ATOM 0 HD2 TYR A 94 5.548 -0.449 -9.278 1.00 73.25 H new ATOM 0 HE1 TYR A 94 5.684 -3.512 -13.107 1.00 3.20 H new ATOM 0 HE2 TYR A 94 7.374 -0.295 -10.899 1.00 4.12 H new ATOM 0 HH TYR A 94 8.279 -1.084 -12.727 1.00 51.52 H new ATOM 1588 N ILE A 95 0.779 -1.151 -7.698 1.00 14.50 N ATOM 1589 CA ILE A 95 -0.284 -1.470 -6.749 1.00 71.13 C ATOM 1590 C ILE A 95 -1.658 -1.242 -7.390 1.00 33.05 C ATOM 1591 O ILE A 95 -2.604 -1.994 -7.144 1.00 24.33 O ATOM 1592 CB ILE A 95 -0.122 -0.724 -5.379 1.00 30.53 C ATOM 1593 CG1 ILE A 95 1.251 -1.088 -4.788 1.00 11.23 C ATOM 1594 CG2 ILE A 95 -1.227 -1.133 -4.395 1.00 71.13 C ATOM 1595 CD1 ILE A 95 1.558 -0.492 -3.430 1.00 22.20 C ATOM 0 H ILE A 95 1.315 -0.313 -7.471 1.00 14.50 H new ATOM 0 HA ILE A 95 -0.202 -2.529 -6.505 1.00 71.13 H new ATOM 0 HB ILE A 95 -0.198 0.351 -5.545 1.00 30.53 H new ATOM 0 HG12 ILE A 95 1.318 -2.173 -4.712 1.00 11.23 H new ATOM 0 HG13 ILE A 95 2.024 -0.769 -5.488 1.00 11.23 H new ATOM 0 HG21 ILE A 95 -1.091 -0.601 -3.453 1.00 71.13 H new ATOM 0 HG22 ILE A 95 -2.200 -0.882 -4.816 1.00 71.13 H new ATOM 0 HG23 ILE A 95 -1.175 -2.207 -4.216 1.00 71.13 H new ATOM 0 HD11 ILE A 95 2.549 -0.812 -3.108 1.00 22.20 H new ATOM 0 HD12 ILE A 95 1.532 0.596 -3.496 1.00 22.20 H new ATOM 0 HD13 ILE A 95 0.815 -0.830 -2.708 1.00 22.20 H new ATOM 1607 N GLN A 96 -1.757 -0.225 -8.243 1.00 72.21 N ATOM 1608 CA GLN A 96 -2.965 -0.036 -9.027 1.00 4.34 C ATOM 1609 C GLN A 96 -3.135 -1.190 -9.998 1.00 71.33 C ATOM 1610 O GLN A 96 -4.240 -1.694 -10.182 1.00 71.00 O ATOM 1611 CB GLN A 96 -2.949 1.276 -9.808 1.00 14.33 C ATOM 1612 CG GLN A 96 -4.072 1.347 -10.834 1.00 73.33 C ATOM 1613 CD GLN A 96 -4.076 2.603 -11.631 1.00 34.02 C ATOM 1614 OE1 GLN A 96 -3.421 2.701 -12.669 1.00 73.33 O ATOM 1615 NE2 GLN A 96 -4.827 3.547 -11.194 1.00 22.24 N ATOM 0 H GLN A 96 -1.026 0.468 -8.404 1.00 72.21 H new ATOM 0 HA GLN A 96 -3.800 -0.000 -8.328 1.00 4.34 H new ATOM 0 HB2 GLN A 96 -3.040 2.111 -9.114 1.00 14.33 H new ATOM 0 HB3 GLN A 96 -1.989 1.384 -10.314 1.00 14.33 H new ATOM 0 HG2 GLN A 96 -3.987 0.498 -11.512 1.00 73.33 H new ATOM 0 HG3 GLN A 96 -5.028 1.250 -10.320 1.00 73.33 H new ATOM 0 HE21 GLN A 96 -5.352 3.422 -10.329 1.00 22.24 H new ATOM 0 HE22 GLN A 96 -4.899 4.423 -11.712 1.00 22.24 H new ATOM 1624 N GLY A 97 -2.023 -1.606 -10.604 1.00 65.41 N ATOM 1625 CA GLY A 97 -2.045 -2.696 -11.552 1.00 71.04 C ATOM 1626 C GLY A 97 -2.647 -3.939 -10.953 1.00 63.03 C ATOM 1627 O GLY A 97 -3.598 -4.482 -11.489 1.00 10.12 O ATOM 0 H GLY A 97 -1.101 -1.198 -10.449 1.00 65.41 H new ATOM 0 HA2 GLY A 97 -2.617 -2.402 -12.432 1.00 71.04 H new ATOM 0 HA3 GLY A 97 -1.030 -2.908 -11.887 1.00 71.04 H new ATOM 1631 N ILE A 98 -2.123 -4.356 -9.816 1.00 74.03 N ATOM 1632 CA ILE A 98 -2.632 -5.533 -9.128 1.00 62.02 C ATOM 1633 C ILE A 98 -4.075 -5.387 -8.671 1.00 22.02 C ATOM 1634 O ILE A 98 -4.842 -6.372 -8.674 1.00 13.41 O ATOM 1635 CB ILE A 98 -1.722 -6.007 -7.975 1.00 61.10 C ATOM 1636 CG1 ILE A 98 -1.273 -4.859 -7.069 1.00 73.03 C ATOM 1637 CG2 ILE A 98 -0.571 -6.791 -8.496 1.00 1.13 C ATOM 1638 CD1 ILE A 98 -0.348 -5.281 -5.937 1.00 0.11 C ATOM 0 H ILE A 98 -1.343 -3.897 -9.346 1.00 74.03 H new ATOM 0 HA ILE A 98 -2.619 -6.319 -9.883 1.00 62.02 H new ATOM 0 HB ILE A 98 -2.318 -6.668 -7.345 1.00 61.10 H new ATOM 0 HG12 ILE A 98 -0.766 -4.109 -7.676 1.00 73.03 H new ATOM 0 HG13 ILE A 98 -2.155 -4.381 -6.643 1.00 73.03 H new ATOM 0 HG21 ILE A 98 0.056 -7.114 -7.665 1.00 1.13 H new ATOM 0 HG22 ILE A 98 -0.939 -7.665 -9.033 1.00 1.13 H new ATOM 0 HG23 ILE A 98 0.016 -6.170 -9.173 1.00 1.13 H new ATOM 0 HD11 ILE A 98 -0.078 -4.408 -5.343 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -0.857 -6.007 -5.303 1.00 0.11 H new ATOM 0 HD13 ILE A 98 0.554 -5.731 -6.352 1.00 0.11 H new ATOM 1650 N LEU A 99 -4.465 -4.181 -8.305 1.00 21.14 N ATOM 1651 CA LEU A 99 -5.827 -3.951 -7.924 1.00 15.10 C ATOM 1652 C LEU A 99 -6.775 -4.004 -9.121 1.00 31.32 C ATOM 1653 O LEU A 99 -7.876 -4.575 -9.044 1.00 14.40 O ATOM 1654 CB LEU A 99 -6.014 -2.676 -7.038 1.00 42.40 C ATOM 1655 CG LEU A 99 -7.475 -2.205 -6.809 1.00 24.31 C ATOM 1656 CD1 LEU A 99 -7.625 -1.546 -5.457 1.00 33.14 C ATOM 1657 CD2 LEU A 99 -7.878 -1.205 -7.894 1.00 35.22 C ATOM 0 H LEU A 99 -3.860 -3.361 -8.267 1.00 21.14 H new ATOM 0 HA LEU A 99 -6.109 -4.782 -7.277 1.00 15.10 H new ATOM 0 HB2 LEU A 99 -5.559 -2.866 -6.066 1.00 42.40 H new ATOM 0 HB3 LEU A 99 -5.458 -1.857 -7.495 1.00 42.40 H new ATOM 0 HG LEU A 99 -8.121 -3.082 -6.851 1.00 24.31 H new ATOM 0 HD11 LEU A 99 -8.658 -1.225 -5.321 1.00 33.14 H new ATOM 0 HD12 LEU A 99 -7.360 -2.257 -4.674 1.00 33.14 H new ATOM 0 HD13 LEU A 99 -6.965 -0.680 -5.399 1.00 33.14 H new ATOM 0 HD21 LEU A 99 -8.905 -0.880 -7.726 1.00 35.22 H new ATOM 0 HD22 LEU A 99 -7.213 -0.342 -7.858 1.00 35.22 H new ATOM 0 HD23 LEU A 99 -7.804 -1.680 -8.872 1.00 35.22 H new ATOM 1669 N TYR A 100 -6.340 -3.452 -10.219 1.00 53.12 N ATOM 1670 CA TYR A 100 -7.139 -3.408 -11.411 1.00 55.41 C ATOM 1671 C TYR A 100 -7.200 -4.803 -12.086 1.00 63.15 C ATOM 1672 O TYR A 100 -8.195 -5.141 -12.739 1.00 1.20 O ATOM 1673 CB TYR A 100 -6.597 -2.320 -12.387 1.00 3.32 C ATOM 1674 CG TYR A 100 -7.444 -2.127 -13.629 1.00 64.45 C ATOM 1675 CD1 TYR A 100 -8.591 -1.349 -13.586 1.00 50.11 C ATOM 1676 CD2 TYR A 100 -7.100 -2.722 -14.837 1.00 64.11 C ATOM 1677 CE1 TYR A 100 -9.372 -1.170 -14.707 1.00 50.21 C ATOM 1678 CE2 TYR A 100 -7.878 -2.544 -15.963 1.00 43.42 C ATOM 1679 CZ TYR A 100 -9.012 -1.767 -15.892 1.00 53.41 C ATOM 1680 OH TYR A 100 -9.793 -1.581 -17.016 1.00 62.11 O ATOM 0 H TYR A 100 -5.421 -3.020 -10.313 1.00 53.12 H new ATOM 0 HA TYR A 100 -8.158 -3.134 -11.139 1.00 55.41 H new ATOM 0 HB2 TYR A 100 -6.529 -1.371 -11.855 1.00 3.32 H new ATOM 0 HB3 TYR A 100 -5.585 -2.589 -12.689 1.00 3.32 H new ATOM 0 HD1 TYR A 100 -8.877 -0.875 -12.658 1.00 50.11 H new ATOM 0 HD2 TYR A 100 -6.211 -3.332 -14.895 1.00 64.11 H new ATOM 0 HE1 TYR A 100 -10.264 -0.563 -14.655 1.00 50.21 H new ATOM 0 HE2 TYR A 100 -7.598 -3.012 -16.895 1.00 43.42 H new ATOM 0 HH TYR A 100 -9.402 -2.068 -17.771 1.00 62.11 H new ATOM 1690 N LEU A 101 -6.144 -5.611 -11.895 1.00 54.44 N ATOM 1691 CA LEU A 101 -6.047 -6.943 -12.524 1.00 42.22 C ATOM 1692 C LEU A 101 -7.034 -7.978 -12.008 1.00 61.45 C ATOM 1693 O LEU A 101 -7.814 -8.530 -12.785 1.00 42.25 O ATOM 1694 CB LEU A 101 -4.650 -7.554 -12.375 1.00 74.21 C ATOM 1695 CG LEU A 101 -3.492 -6.926 -13.148 1.00 4.22 C ATOM 1696 CD1 LEU A 101 -2.222 -7.681 -12.843 1.00 54.43 C ATOM 1697 CD2 LEU A 101 -3.751 -6.964 -14.636 1.00 64.21 C ATOM 0 H LEU A 101 -5.344 -5.367 -11.310 1.00 54.44 H new ATOM 0 HA LEU A 101 -6.285 -6.729 -13.566 1.00 42.22 H new ATOM 0 HB2 LEU A 101 -4.391 -7.534 -11.316 1.00 74.21 H new ATOM 0 HB3 LEU A 101 -4.714 -8.602 -12.668 1.00 74.21 H new ATOM 0 HG LEU A 101 -3.394 -5.885 -12.841 1.00 4.22 H new ATOM 0 HD11 LEU A 101 -1.393 -7.236 -13.393 1.00 54.43 H new ATOM 0 HD12 LEU A 101 -2.017 -7.631 -11.774 1.00 54.43 H new ATOM 0 HD13 LEU A 101 -2.337 -8.723 -13.142 1.00 54.43 H new ATOM 0 HD21 LEU A 101 -2.911 -6.511 -15.163 1.00 64.21 H new ATOM 0 HD22 LEU A 101 -3.866 -7.999 -14.959 1.00 64.21 H new ATOM 0 HD23 LEU A 101 -4.662 -6.410 -14.861 1.00 64.21 H new ATOM 1709 N ASN A 102 -7.019 -8.263 -10.715 1.00 3.34 N ATOM 1710 CA ASN A 102 -7.786 -9.424 -10.271 1.00 72.22 C ATOM 1711 C ASN A 102 -8.402 -9.255 -8.890 1.00 55.05 C ATOM 1712 O ASN A 102 -9.609 -9.138 -8.768 1.00 61.11 O ATOM 1713 CB ASN A 102 -6.862 -10.680 -10.291 1.00 75.34 C ATOM 1714 CG ASN A 102 -7.548 -12.069 -10.120 1.00 3.01 C ATOM 1715 OD1 ASN A 102 -7.029 -13.069 -10.619 1.00 24.10 O ATOM 1716 ND2 ASN A 102 -8.673 -12.151 -9.449 1.00 63.32 N ATOM 0 H ASN A 102 -6.519 -7.746 -9.991 1.00 3.34 H new ATOM 0 HA ASN A 102 -8.620 -9.542 -10.963 1.00 72.22 H new ATOM 0 HB2 ASN A 102 -6.319 -10.685 -11.236 1.00 75.34 H new ATOM 0 HB3 ASN A 102 -6.122 -10.568 -9.498 1.00 75.34 H new ATOM 0 HD21 ASN A 102 -9.133 -13.054 -9.333 1.00 63.32 H new ATOM 0 HD22 ASN A 102 -9.087 -11.312 -9.043 1.00 63.32 H new ATOM 1723 N GLN A 103 -7.583 -9.230 -7.852 1.00 31.54 N ATOM 1724 CA GLN A 103 -8.133 -9.329 -6.495 1.00 52.33 C ATOM 1725 C GLN A 103 -8.384 -7.952 -5.854 1.00 31.42 C ATOM 1726 O GLN A 103 -8.805 -7.867 -4.705 1.00 54.22 O ATOM 1727 CB GLN A 103 -7.224 -10.204 -5.615 1.00 64.42 C ATOM 1728 CG GLN A 103 -7.828 -10.580 -4.269 1.00 33.22 C ATOM 1729 CD GLN A 103 -6.886 -11.354 -3.384 1.00 71.12 C ATOM 1730 OE1 GLN A 103 -5.686 -11.182 -3.445 1.00 72.41 O ATOM 1731 NE2 GLN A 103 -7.422 -12.197 -2.551 1.00 25.20 N ATOM 0 H GLN A 103 -6.568 -9.145 -7.908 1.00 31.54 H new ATOM 0 HA GLN A 103 -9.109 -9.807 -6.573 1.00 52.33 H new ATOM 0 HB2 GLN A 103 -6.981 -11.117 -6.159 1.00 64.42 H new ATOM 0 HB3 GLN A 103 -6.286 -9.676 -5.444 1.00 64.42 H new ATOM 0 HG2 GLN A 103 -8.137 -9.672 -3.751 1.00 33.22 H new ATOM 0 HG3 GLN A 103 -8.727 -11.173 -4.436 1.00 33.22 H new ATOM 0 HE21 GLN A 103 -8.435 -12.316 -2.527 1.00 25.20 H new ATOM 0 HE22 GLN A 103 -6.830 -12.739 -1.922 1.00 25.20 H new ATOM 1740 N GLU A 104 -8.154 -6.892 -6.610 1.00 21.22 N ATOM 1741 CA GLU A 104 -8.352 -5.514 -6.138 1.00 34.44 C ATOM 1742 C GLU A 104 -7.637 -5.141 -4.832 1.00 72.14 C ATOM 1743 O GLU A 104 -6.429 -4.929 -4.844 1.00 35.35 O ATOM 1744 CB GLU A 104 -9.801 -4.973 -6.294 1.00 12.11 C ATOM 1745 CG GLU A 104 -10.901 -5.850 -5.735 1.00 31.11 C ATOM 1746 CD GLU A 104 -12.251 -5.419 -6.207 1.00 71.40 C ATOM 1747 OE1 GLU A 104 -12.498 -5.510 -7.430 1.00 73.34 O ATOM 1748 OE2 GLU A 104 -13.105 -5.040 -5.378 1.00 63.23 O ATOM 0 H GLU A 104 -7.823 -6.953 -7.573 1.00 21.22 H new ATOM 0 HA GLU A 104 -7.791 -4.927 -6.865 1.00 34.44 H new ATOM 0 HB2 GLU A 104 -9.858 -3.999 -5.808 1.00 12.11 H new ATOM 0 HB3 GLU A 104 -9.995 -4.812 -7.354 1.00 12.11 H new ATOM 0 HG2 GLU A 104 -10.726 -6.884 -6.031 1.00 31.11 H new ATOM 0 HG3 GLU A 104 -10.871 -5.820 -4.646 1.00 31.11 H new ATOM 1755 N VAL A 105 -8.342 -5.089 -3.729 1.00 44.54 N ATOM 1756 CA VAL A 105 -7.708 -4.746 -2.474 1.00 25.43 C ATOM 1757 C VAL A 105 -7.129 -6.006 -1.808 1.00 54.02 C ATOM 1758 O VAL A 105 -7.871 -6.932 -1.465 1.00 12.50 O ATOM 1759 CB VAL A 105 -8.649 -3.934 -1.509 1.00 32.13 C ATOM 1760 CG1 VAL A 105 -9.979 -4.645 -1.275 1.00 73.14 C ATOM 1761 CG2 VAL A 105 -7.951 -3.668 -0.174 1.00 34.12 C ATOM 0 H VAL A 105 -9.343 -5.277 -3.671 1.00 44.54 H new ATOM 0 HA VAL A 105 -6.883 -4.070 -2.698 1.00 25.43 H new ATOM 0 HB VAL A 105 -8.864 -2.982 -1.995 1.00 32.13 H new ATOM 0 HG11 VAL A 105 -10.597 -4.049 -0.603 1.00 73.14 H new ATOM 0 HG12 VAL A 105 -10.496 -4.772 -2.226 1.00 73.14 H new ATOM 0 HG13 VAL A 105 -9.796 -5.622 -0.828 1.00 73.14 H new ATOM 0 HG21 VAL A 105 -8.618 -3.105 0.479 1.00 34.12 H new ATOM 0 HG22 VAL A 105 -7.695 -4.617 0.298 1.00 34.12 H new ATOM 0 HG23 VAL A 105 -7.042 -3.092 -0.347 1.00 34.12 H new ATOM 1771 N PRO A 106 -5.779 -6.060 -1.669 1.00 73.43 N ATOM 1772 CA PRO A 106 -5.068 -7.208 -1.104 1.00 43.52 C ATOM 1773 C PRO A 106 -5.638 -7.703 0.226 1.00 51.20 C ATOM 1774 O PRO A 106 -5.501 -7.056 1.282 1.00 73.31 O ATOM 1775 CB PRO A 106 -3.653 -6.693 -0.910 1.00 33.10 C ATOM 1776 CG PRO A 106 -3.491 -5.663 -1.961 1.00 22.14 C ATOM 1777 CD PRO A 106 -4.832 -4.996 -2.079 1.00 12.43 C ATOM 0 HA PRO A 106 -5.147 -8.072 -1.764 1.00 43.52 H new ATOM 0 HB2 PRO A 106 -3.517 -6.270 0.085 1.00 33.10 H new ATOM 0 HB3 PRO A 106 -2.920 -7.492 -1.020 1.00 33.10 H new ATOM 0 HG2 PRO A 106 -2.718 -4.944 -1.690 1.00 22.14 H new ATOM 0 HG3 PRO A 106 -3.191 -6.112 -2.908 1.00 22.14 H new ATOM 0 HD2 PRO A 106 -4.905 -4.122 -1.432 1.00 12.43 H new ATOM 0 HD3 PRO A 106 -5.024 -4.657 -3.097 1.00 12.43 H new ATOM 1785 N LYS A 107 -6.281 -8.842 0.151 1.00 55.34 N ATOM 1786 CA LYS A 107 -6.881 -9.518 1.269 1.00 2.13 C ATOM 1787 C LYS A 107 -5.781 -9.916 2.277 1.00 20.05 C ATOM 1788 O LYS A 107 -6.042 -10.076 3.463 1.00 45.11 O ATOM 1789 CB LYS A 107 -7.697 -10.727 0.720 1.00 45.23 C ATOM 1790 CG LYS A 107 -8.640 -11.474 1.685 1.00 33.30 C ATOM 1791 CD LYS A 107 -7.929 -12.335 2.713 1.00 31.14 C ATOM 1792 CE LYS A 107 -8.923 -13.122 3.566 1.00 14.04 C ATOM 1793 NZ LYS A 107 -9.825 -12.242 4.346 1.00 24.42 N ATOM 0 H LYS A 107 -6.404 -9.342 -0.729 1.00 55.34 H new ATOM 0 HA LYS A 107 -7.573 -8.875 1.813 1.00 2.13 H new ATOM 0 HB2 LYS A 107 -8.295 -10.371 -0.119 1.00 45.23 H new ATOM 0 HB3 LYS A 107 -6.988 -11.452 0.321 1.00 45.23 H new ATOM 0 HG2 LYS A 107 -9.260 -10.744 2.206 1.00 33.30 H new ATOM 0 HG3 LYS A 107 -9.312 -12.105 1.102 1.00 33.30 H new ATOM 0 HD2 LYS A 107 -7.255 -13.026 2.207 1.00 31.14 H new ATOM 0 HD3 LYS A 107 -7.315 -11.704 3.356 1.00 31.14 H new ATOM 0 HE2 LYS A 107 -9.519 -13.767 2.921 1.00 14.04 H new ATOM 0 HE3 LYS A 107 -8.376 -13.772 4.249 1.00 14.04 H new ATOM 0 HZ1 LYS A 107 -10.445 -12.824 4.945 1.00 24.42 H new ATOM 0 HZ2 LYS A 107 -9.259 -11.608 4.946 1.00 24.42 H new ATOM 0 HZ3 LYS A 107 -10.405 -11.675 3.695 1.00 24.42 H new ATOM 1807 N GLU A 108 -4.541 -10.037 1.803 1.00 53.12 N ATOM 1808 CA GLU A 108 -3.445 -10.342 2.703 1.00 41.23 C ATOM 1809 C GLU A 108 -3.191 -9.168 3.658 1.00 24.22 C ATOM 1810 O GLU A 108 -2.857 -9.377 4.805 1.00 74.35 O ATOM 1811 CB GLU A 108 -2.154 -10.750 1.969 1.00 61.41 C ATOM 1812 CG GLU A 108 -1.052 -11.189 2.939 1.00 44.04 C ATOM 1813 CD GLU A 108 0.199 -11.670 2.282 1.00 71.30 C ATOM 1814 OE1 GLU A 108 0.259 -12.861 1.940 1.00 34.32 O ATOM 1815 OE2 GLU A 108 1.157 -10.878 2.164 1.00 54.42 O ATOM 0 H GLU A 108 -4.280 -9.930 0.823 1.00 53.12 H new ATOM 0 HA GLU A 108 -3.749 -11.212 3.285 1.00 41.23 H new ATOM 0 HB2 GLU A 108 -2.373 -11.564 1.278 1.00 61.41 H new ATOM 0 HB3 GLU A 108 -1.797 -9.911 1.371 1.00 61.41 H new ATOM 0 HG2 GLU A 108 -0.805 -10.351 3.591 1.00 44.04 H new ATOM 0 HG3 GLU A 108 -1.442 -11.984 3.575 1.00 44.04 H new ATOM 1822 N LEU A 109 -3.398 -7.929 3.184 1.00 22.41 N ATOM 1823 CA LEU A 109 -3.231 -6.745 4.040 1.00 71.44 C ATOM 1824 C LEU A 109 -4.376 -6.638 4.964 1.00 4.14 C ATOM 1825 O LEU A 109 -4.226 -6.204 6.110 1.00 63.23 O ATOM 1826 CB LEU A 109 -3.062 -5.438 3.245 1.00 5.31 C ATOM 1827 CG LEU A 109 -1.675 -5.164 2.661 1.00 50.22 C ATOM 1828 CD1 LEU A 109 -1.221 -6.289 1.784 1.00 33.32 C ATOM 1829 CD2 LEU A 109 -1.671 -3.853 1.891 1.00 2.11 C ATOM 0 H LEU A 109 -3.678 -7.723 2.225 1.00 22.41 H new ATOM 0 HA LEU A 109 -2.306 -6.883 4.600 1.00 71.44 H new ATOM 0 HB2 LEU A 109 -3.781 -5.442 2.426 1.00 5.31 H new ATOM 0 HB3 LEU A 109 -3.327 -4.606 3.898 1.00 5.31 H new ATOM 0 HG LEU A 109 -0.973 -5.084 3.491 1.00 50.22 H new ATOM 0 HD11 LEU A 109 -0.232 -6.063 1.385 1.00 33.32 H new ATOM 0 HD12 LEU A 109 -1.176 -7.209 2.367 1.00 33.32 H new ATOM 0 HD13 LEU A 109 -1.924 -6.415 0.961 1.00 33.32 H new ATOM 0 HD21 LEU A 109 -0.676 -3.674 1.483 1.00 2.11 H new ATOM 0 HD22 LEU A 109 -2.393 -3.907 1.077 1.00 2.11 H new ATOM 0 HD23 LEU A 109 -1.940 -3.037 2.561 1.00 2.11 H new ATOM 1841 N LEU A 110 -5.518 -7.067 4.467 1.00 41.25 N ATOM 1842 CA LEU A 110 -6.745 -7.111 5.219 1.00 71.24 C ATOM 1843 C LEU A 110 -6.465 -7.915 6.515 1.00 63.33 C ATOM 1844 O LEU A 110 -6.793 -7.486 7.623 1.00 52.21 O ATOM 1845 CB LEU A 110 -7.817 -7.804 4.325 1.00 63.10 C ATOM 1846 CG LEU A 110 -9.303 -7.741 4.721 1.00 73.52 C ATOM 1847 CD1 LEU A 110 -9.578 -8.379 6.055 1.00 14.45 C ATOM 1848 CD2 LEU A 110 -9.807 -6.315 4.670 1.00 51.00 C ATOM 0 H LEU A 110 -5.616 -7.401 3.508 1.00 41.25 H new ATOM 0 HA LEU A 110 -7.111 -6.122 5.495 1.00 71.24 H new ATOM 0 HB2 LEU A 110 -7.729 -7.380 3.325 1.00 63.10 H new ATOM 0 HB3 LEU A 110 -7.545 -8.857 4.250 1.00 63.10 H new ATOM 0 HG LEU A 110 -9.856 -8.328 3.988 1.00 73.52 H new ATOM 0 HD11 LEU A 110 -10.642 -8.305 6.282 1.00 14.45 H new ATOM 0 HD12 LEU A 110 -9.286 -9.429 6.023 1.00 14.45 H new ATOM 0 HD13 LEU A 110 -9.006 -7.867 6.828 1.00 14.45 H new ATOM 0 HD21 LEU A 110 -10.859 -6.291 4.953 1.00 51.00 H new ATOM 0 HD22 LEU A 110 -9.231 -5.701 5.362 1.00 51.00 H new ATOM 0 HD23 LEU A 110 -9.694 -5.925 3.658 1.00 51.00 H new ATOM 1860 N GLU A 111 -5.823 -9.056 6.344 1.00 2.15 N ATOM 1861 CA GLU A 111 -5.434 -9.917 7.454 1.00 1.14 C ATOM 1862 C GLU A 111 -4.188 -9.364 8.181 1.00 63.31 C ATOM 1863 O GLU A 111 -4.035 -9.532 9.389 1.00 75.42 O ATOM 1864 CB GLU A 111 -5.083 -11.311 6.926 1.00 22.11 C ATOM 1865 CG GLU A 111 -6.158 -11.979 6.090 1.00 31.42 C ATOM 1866 CD GLU A 111 -7.451 -12.170 6.822 1.00 11.23 C ATOM 1867 OE1 GLU A 111 -7.501 -13.002 7.742 1.00 10.41 O ATOM 1868 OE2 GLU A 111 -8.447 -11.508 6.477 1.00 50.52 O ATOM 0 H GLU A 111 -5.554 -9.416 5.428 1.00 2.15 H new ATOM 0 HA GLU A 111 -6.273 -9.959 8.148 1.00 1.14 H new ATOM 0 HB2 GLU A 111 -4.175 -11.236 6.328 1.00 22.11 H new ATOM 0 HB3 GLU A 111 -4.853 -11.955 7.775 1.00 22.11 H new ATOM 0 HG2 GLU A 111 -6.339 -11.379 5.199 1.00 31.42 H new ATOM 0 HG3 GLU A 111 -5.794 -12.949 5.752 1.00 31.42 H new ATOM 1875 N PHE A 112 -3.326 -8.680 7.431 1.00 20.52 N ATOM 1876 CA PHE A 112 -1.992 -8.303 7.905 1.00 40.44 C ATOM 1877 C PHE A 112 -2.060 -7.293 9.018 1.00 22.33 C ATOM 1878 O PHE A 112 -1.403 -7.451 10.044 1.00 14.33 O ATOM 1879 CB PHE A 112 -1.105 -7.772 6.742 1.00 41.50 C ATOM 1880 CG PHE A 112 0.350 -7.577 7.105 1.00 3.41 C ATOM 1881 CD1 PHE A 112 0.787 -6.413 7.713 1.00 55.44 C ATOM 1882 CD2 PHE A 112 1.273 -8.574 6.848 1.00 60.44 C ATOM 1883 CE1 PHE A 112 2.111 -6.243 8.054 1.00 30.12 C ATOM 1884 CE2 PHE A 112 2.601 -8.413 7.189 1.00 12.22 C ATOM 1885 CZ PHE A 112 3.018 -7.246 7.794 1.00 43.33 C ATOM 0 H PHE A 112 -3.530 -8.371 6.480 1.00 20.52 H new ATOM 0 HA PHE A 112 -1.530 -9.207 8.301 1.00 40.44 H new ATOM 0 HB2 PHE A 112 -1.168 -8.469 5.906 1.00 41.50 H new ATOM 0 HB3 PHE A 112 -1.511 -6.821 6.396 1.00 41.50 H new ATOM 0 HD1 PHE A 112 0.079 -5.625 7.924 1.00 55.44 H new ATOM 0 HD2 PHE A 112 0.951 -9.490 6.375 1.00 60.44 H new ATOM 0 HE1 PHE A 112 2.436 -5.326 8.524 1.00 30.12 H new ATOM 0 HE2 PHE A 112 3.312 -9.199 6.982 1.00 12.22 H new ATOM 0 HZ PHE A 112 4.056 -7.119 8.064 1.00 43.33 H new ATOM 1895 N LEU A 113 -2.848 -6.260 8.841 1.00 44.41 N ATOM 1896 CA LEU A 113 -2.901 -5.232 9.856 1.00 43.22 C ATOM 1897 C LEU A 113 -4.163 -5.366 10.662 1.00 70.03 C ATOM 1898 O LEU A 113 -4.519 -4.447 11.390 1.00 71.41 O ATOM 1899 CB LEU A 113 -2.832 -3.793 9.287 1.00 32.00 C ATOM 1900 CG LEU A 113 -1.687 -3.412 8.337 1.00 32.44 C ATOM 1901 CD1 LEU A 113 -1.940 -3.941 6.931 1.00 43.53 C ATOM 1902 CD2 LEU A 113 -1.488 -1.905 8.321 1.00 3.24 C ATOM 0 H LEU A 113 -3.446 -6.109 8.029 1.00 44.41 H new ATOM 0 HA LEU A 113 -2.018 -5.382 10.477 1.00 43.22 H new ATOM 0 HB2 LEU A 113 -3.769 -3.603 8.763 1.00 32.00 H new ATOM 0 HB3 LEU A 113 -2.796 -3.108 10.134 1.00 32.00 H new ATOM 0 HG LEU A 113 -0.772 -3.876 8.706 1.00 32.44 H new ATOM 0 HD11 LEU A 113 -1.113 -3.656 6.281 1.00 43.53 H new ATOM 0 HD12 LEU A 113 -2.021 -5.028 6.960 1.00 43.53 H new ATOM 0 HD13 LEU A 113 -2.868 -3.518 6.545 1.00 43.53 H new ATOM 0 HD21 LEU A 113 -0.673 -1.653 7.643 1.00 3.24 H new ATOM 0 HD22 LEU A 113 -2.404 -1.421 7.983 1.00 3.24 H new ATOM 0 HD23 LEU A 113 -1.244 -1.560 9.326 1.00 3.24 H new ATOM 1914 N ARG A 114 -4.844 -6.538 10.544 1.00 2.30 N ATOM 1915 CA ARG A 114 -6.113 -6.787 11.269 1.00 22.33 C ATOM 1916 C ARG A 114 -7.177 -5.802 10.778 1.00 35.14 C ATOM 1917 O ARG A 114 -8.118 -5.487 11.488 1.00 14.12 O ATOM 1918 CB ARG A 114 -5.874 -6.604 12.777 1.00 11.42 C ATOM 1919 CG ARG A 114 -4.863 -7.569 13.368 1.00 51.52 C ATOM 1920 CD ARG A 114 -4.391 -7.098 14.730 1.00 20.13 C ATOM 1921 NE ARG A 114 -5.488 -6.849 15.660 1.00 70.12 N ATOM 1922 CZ ARG A 114 -5.342 -6.357 16.888 1.00 44.43 C ATOM 1923 NH1 ARG A 114 -4.128 -6.098 17.371 1.00 50.31 N ATOM 1924 NH2 ARG A 114 -6.410 -6.132 17.641 1.00 3.35 N ATOM 0 H ARG A 114 -4.537 -7.315 9.959 1.00 2.30 H new ATOM 0 HA ARG A 114 -6.459 -7.804 11.082 1.00 22.33 H new ATOM 0 HB2 ARG A 114 -5.535 -5.584 12.959 1.00 11.42 H new ATOM 0 HB3 ARG A 114 -6.822 -6.723 13.301 1.00 11.42 H new ATOM 0 HG2 ARG A 114 -5.310 -8.559 13.457 1.00 51.52 H new ATOM 0 HG3 ARG A 114 -4.010 -7.663 12.696 1.00 51.52 H new ATOM 0 HD2 ARG A 114 -3.724 -7.847 15.156 1.00 20.13 H new ATOM 0 HD3 ARG A 114 -3.809 -6.184 14.611 1.00 20.13 H new ATOM 0 HE ARG A 114 -6.434 -7.068 15.347 1.00 70.12 H new ATOM 0 HH11 ARG A 114 -3.303 -6.277 16.799 1.00 50.31 H new ATOM 0 HH12 ARG A 114 -4.024 -5.721 18.313 1.00 50.31 H new ATOM 0 HH21 ARG A 114 -7.341 -6.336 17.279 1.00 3.35 H new ATOM 0 HH22 ARG A 114 -6.300 -5.755 18.582 1.00 3.35 H new ATOM 1938 N LEU A 115 -7.040 -5.414 9.506 1.00 24.43 N ATOM 1939 CA LEU A 115 -7.844 -4.372 8.850 1.00 45.13 C ATOM 1940 C LEU A 115 -9.325 -4.708 8.763 1.00 52.10 C ATOM 1941 O LEU A 115 -10.143 -3.821 8.468 1.00 14.14 O ATOM 1942 CB LEU A 115 -7.335 -4.132 7.424 1.00 42.43 C ATOM 1943 CG LEU A 115 -5.917 -3.650 7.237 1.00 74.41 C ATOM 1944 CD1 LEU A 115 -5.662 -3.367 5.771 1.00 43.24 C ATOM 1945 CD2 LEU A 115 -5.646 -2.436 8.068 1.00 1.54 C ATOM 0 H LEU A 115 -6.346 -5.828 8.884 1.00 24.43 H new ATOM 0 HA LEU A 115 -7.735 -3.484 9.472 1.00 45.13 H new ATOM 0 HB2 LEU A 115 -7.443 -5.066 6.872 1.00 42.43 H new ATOM 0 HB3 LEU A 115 -7.997 -3.405 6.954 1.00 42.43 H new ATOM 0 HG LEU A 115 -5.236 -4.434 7.570 1.00 74.41 H new ATOM 0 HD11 LEU A 115 -4.637 -3.019 5.640 1.00 43.24 H new ATOM 0 HD12 LEU A 115 -5.812 -4.279 5.193 1.00 43.24 H new ATOM 0 HD13 LEU A 115 -6.353 -2.599 5.423 1.00 43.24 H new ATOM 0 HD21 LEU A 115 -4.617 -2.111 7.913 1.00 1.54 H new ATOM 0 HD22 LEU A 115 -6.327 -1.636 7.777 1.00 1.54 H new ATOM 0 HD23 LEU A 115 -5.796 -2.675 9.121 1.00 1.54 H new ATOM 1957 N ARG A 116 -9.663 -5.961 8.982 1.00 73.40 N ATOM 1958 CA ARG A 116 -11.031 -6.419 8.875 1.00 11.53 C ATOM 1959 C ARG A 116 -11.998 -5.618 9.741 1.00 30.44 C ATOM 1960 O ARG A 116 -11.697 -5.292 10.898 1.00 73.42 O ATOM 1961 CB ARG A 116 -11.146 -7.963 9.089 1.00 45.42 C ATOM 1962 CG ARG A 116 -10.598 -8.546 10.410 1.00 73.54 C ATOM 1963 CD ARG A 116 -11.455 -8.209 11.617 1.00 12.53 C ATOM 1964 NE ARG A 116 -12.829 -8.724 11.481 1.00 11.31 N ATOM 1965 CZ ARG A 116 -13.813 -8.538 12.377 1.00 13.15 C ATOM 1966 NH1 ARG A 116 -13.583 -7.873 13.495 1.00 34.42 N ATOM 1967 NH2 ARG A 116 -15.027 -9.023 12.143 1.00 32.52 N ATOM 0 H ARG A 116 -8.997 -6.690 9.239 1.00 73.40 H new ATOM 0 HA ARG A 116 -11.345 -6.226 7.849 1.00 11.53 H new ATOM 0 HB2 ARG A 116 -12.199 -8.235 9.013 1.00 45.42 H new ATOM 0 HB3 ARG A 116 -10.630 -8.455 8.265 1.00 45.42 H new ATOM 0 HG2 ARG A 116 -10.523 -9.629 10.317 1.00 73.54 H new ATOM 0 HG3 ARG A 116 -9.588 -8.170 10.574 1.00 73.54 H new ATOM 0 HD2 ARG A 116 -10.998 -8.628 12.514 1.00 12.53 H new ATOM 0 HD3 ARG A 116 -11.485 -7.128 11.750 1.00 12.53 H new ATOM 0 HE ARG A 116 -13.050 -9.262 10.643 1.00 11.31 H new ATOM 0 HH11 ARG A 116 -12.654 -7.497 13.683 1.00 34.42 H new ATOM 0 HH12 ARG A 116 -14.335 -7.736 14.171 1.00 34.42 H new ATOM 0 HH21 ARG A 116 -15.213 -9.537 11.282 1.00 32.52 H new ATOM 0 HH22 ARG A 116 -15.773 -8.881 12.824 1.00 32.52 H new