USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 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 Single : A 6 SER OG : rot -37:sc= 0.26 USER MOD Single : A 8 THR OG1 : rot -71:sc= 0.143 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.85) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 27:sc= 0.085 USER MOD Single : A 22 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.9) USER MOD Single : A 31 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.66) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -159:sc= -0.427 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 88:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 59 THR OG1 : rot 128:sc= 0.427 USER MOD Single : A 60 HIS : no HE2:sc= -0.738 X(o=-0.74,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= 0.843 (180deg=0.447) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0666) USER MOD Single : A 63 ASN : amide:sc=-0.00487 X(o=-0.0049,f=-0.07) USER MOD Single : A 65 ASN : amide:sc= -0.609 K(o=-0.61,f=-0.045) USER MOD Single : A 67 ASN : amide:sc= 0.78 K(o=0.78,f=-0.39) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.01 K(o=1,f=-0.012) USER MOD Single : A 102 GLN : amide:sc= 0.938 K(o=0.94,f=-0.083) USER MOD Single : A 108 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 109 TYR OH : rot 142:sc= 0.901 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -9.013 -14.674 -11.525 1.00 41.34 N ATOM 64 CA SER A 6 -8.127 -14.299 -10.428 1.00 3.11 C ATOM 65 C SER A 6 -6.893 -15.200 -10.398 1.00 52.05 C ATOM 66 O SER A 6 -6.660 -15.949 -9.453 1.00 2.31 O ATOM 67 CB SER A 6 -8.901 -14.259 -9.108 1.00 12.32 C ATOM 68 OG SER A 6 -9.764 -15.373 -8.965 1.00 13.34 O ATOM 0 HA SER A 6 -7.751 -13.289 -10.588 1.00 3.11 H new ATOM 0 HB2 SER A 6 -8.197 -14.236 -8.276 1.00 12.32 H new ATOM 0 HB3 SER A 6 -9.484 -13.340 -9.057 1.00 12.32 H new ATOM 0 HG SER A 6 -10.149 -15.603 -9.837 1.00 13.34 H new ATOM 73 N ASP A 7 -6.108 -15.159 -11.468 1.00 14.03 N ATOM 74 CA ASP A 7 -5.055 -16.133 -11.747 1.00 51.22 C ATOM 75 C ASP A 7 -3.731 -15.805 -11.050 1.00 1.30 C ATOM 76 O ASP A 7 -2.702 -16.436 -11.299 1.00 44.01 O ATOM 77 CB ASP A 7 -4.902 -16.254 -13.272 1.00 53.04 C ATOM 78 CG ASP A 7 -5.252 -17.661 -13.738 1.00 24.44 C ATOM 79 OD1 ASP A 7 -6.412 -18.087 -13.542 1.00 3.03 O ATOM 80 OD2 ASP A 7 -4.344 -18.351 -14.253 1.00 31.13 O ATOM 0 H ASP A 7 -6.186 -14.434 -12.181 1.00 14.03 H new ATOM 0 HA ASP A 7 -5.347 -17.097 -11.331 1.00 51.22 H new ATOM 0 HB2 ASP A 7 -5.550 -15.530 -13.766 1.00 53.04 H new ATOM 0 HB3 ASP A 7 -3.878 -16.014 -13.560 1.00 53.04 H new ATOM 84 N THR A 8 -3.743 -14.789 -10.196 1.00 52.02 N ATOM 85 CA THR A 8 -2.610 -14.342 -9.388 1.00 43.41 C ATOM 86 C THR A 8 -2.321 -15.336 -8.230 1.00 55.35 C ATOM 87 O THR A 8 -3.225 -16.057 -7.802 1.00 73.21 O ATOM 88 CB THR A 8 -2.876 -12.896 -8.887 1.00 31.34 C ATOM 89 OG1 THR A 8 -4.227 -12.474 -9.084 1.00 23.21 O ATOM 90 CG2 THR A 8 -2.004 -11.873 -9.630 1.00 13.41 C ATOM 0 H THR A 8 -4.580 -14.227 -10.039 1.00 52.02 H new ATOM 0 HA THR A 8 -1.708 -14.324 -9.999 1.00 43.41 H new ATOM 0 HB THR A 8 -2.643 -12.930 -7.823 1.00 31.34 H new ATOM 0 HG1 THR A 8 -4.389 -12.330 -10.040 1.00 23.21 H new ATOM 0 HG21 THR A 8 -2.217 -10.872 -9.254 1.00 13.41 H new ATOM 0 HG22 THR A 8 -0.952 -12.106 -9.468 1.00 13.41 H new ATOM 0 HG23 THR A 8 -2.224 -11.914 -10.697 1.00 13.41 H new ATOM 98 N PRO A 9 -1.076 -15.388 -7.713 1.00 54.35 N ATOM 99 CA PRO A 9 -0.674 -16.222 -6.576 1.00 12.44 C ATOM 100 C PRO A 9 -1.358 -15.787 -5.277 1.00 11.34 C ATOM 101 O PRO A 9 -1.983 -14.727 -5.190 1.00 60.51 O ATOM 102 CB PRO A 9 0.853 -16.111 -6.503 1.00 53.25 C ATOM 103 CG PRO A 9 1.161 -14.783 -7.178 1.00 44.04 C ATOM 104 CD PRO A 9 0.065 -14.641 -8.215 1.00 32.32 C ATOM 0 HA PRO A 9 -0.982 -17.259 -6.711 1.00 12.44 H new ATOM 0 HB2 PRO A 9 1.205 -16.125 -5.471 1.00 53.25 H new ATOM 0 HB3 PRO A 9 1.338 -16.941 -7.016 1.00 53.25 H new ATOM 0 HG2 PRO A 9 1.146 -13.959 -6.465 1.00 44.04 H new ATOM 0 HG3 PRO A 9 2.149 -14.788 -7.638 1.00 44.04 H new ATOM 0 HD2 PRO A 9 -0.193 -13.593 -8.366 1.00 32.32 H new ATOM 0 HD3 PRO A 9 0.390 -15.031 -9.179 1.00 32.32 H new ATOM 109 N LYS A 10 -1.198 -16.606 -4.234 1.00 3.23 N ATOM 110 CA LYS A 10 -1.775 -16.400 -2.909 1.00 71.41 C ATOM 111 C LYS A 10 -0.647 -16.142 -1.915 1.00 41.33 C ATOM 112 O LYS A 10 0.351 -16.868 -1.911 1.00 40.25 O ATOM 113 CB LYS A 10 -2.648 -17.609 -2.554 1.00 72.51 C ATOM 114 CG LYS A 10 -4.028 -17.444 -3.209 1.00 44.44 C ATOM 115 CD LYS A 10 -4.650 -18.728 -3.730 1.00 63.15 C ATOM 116 CE LYS A 10 -4.996 -19.728 -2.619 1.00 64.44 C ATOM 117 NZ LYS A 10 -4.090 -20.897 -2.618 1.00 14.12 N ATOM 0 H LYS A 10 -0.643 -17.460 -4.294 1.00 3.23 H new ATOM 0 HA LYS A 10 -2.425 -15.525 -2.881 1.00 71.41 H new ATOM 0 HB2 LYS A 10 -2.175 -18.528 -2.900 1.00 72.51 H new ATOM 0 HB3 LYS A 10 -2.753 -17.692 -1.472 1.00 72.51 H new ATOM 0 HG2 LYS A 10 -4.707 -16.998 -2.482 1.00 44.44 H new ATOM 0 HG3 LYS A 10 -3.939 -16.740 -4.036 1.00 44.44 H new ATOM 0 HD2 LYS A 10 -5.556 -18.485 -4.286 1.00 63.15 H new ATOM 0 HD3 LYS A 10 -3.961 -19.199 -4.432 1.00 63.15 H new ATOM 0 HE2 LYS A 10 -4.942 -19.228 -1.652 1.00 64.44 H new ATOM 0 HE3 LYS A 10 -6.024 -20.067 -2.745 1.00 64.44 H new ATOM 0 HZ1 LYS A 10 -4.361 -21.546 -1.851 1.00 14.12 H new ATOM 0 HZ2 LYS A 10 -4.160 -21.391 -3.530 1.00 14.12 H new ATOM 0 HZ3 LYS A 10 -3.111 -20.577 -2.471 1.00 14.12 H new ATOM 127 N VAL A 11 -0.743 -15.048 -1.154 1.00 60.31 N ATOM 128 CA VAL A 11 0.258 -14.652 -0.158 1.00 32.23 C ATOM 129 C VAL A 11 0.290 -15.727 0.936 1.00 73.45 C ATOM 130 O VAL A 11 -0.760 -16.317 1.218 1.00 20.10 O ATOM 131 CB VAL A 11 -0.114 -13.252 0.392 1.00 75.15 C ATOM 132 CG1 VAL A 11 0.746 -12.743 1.558 1.00 1.02 C ATOM 133 CG2 VAL A 11 -0.037 -12.193 -0.723 1.00 60.42 C ATOM 0 H VAL A 11 -1.530 -14.402 -1.213 1.00 60.31 H new ATOM 0 HA VAL A 11 1.257 -14.578 -0.589 1.00 32.23 H new ATOM 0 HB VAL A 11 -1.126 -13.390 0.773 1.00 75.15 H new ATOM 0 HG11 VAL A 11 0.398 -11.756 1.863 1.00 1.02 H new ATOM 0 HG12 VAL A 11 0.664 -13.432 2.399 1.00 1.02 H new ATOM 0 HG13 VAL A 11 1.787 -12.679 1.241 1.00 1.02 H new ATOM 0 HG21 VAL A 11 -0.302 -11.217 -0.317 1.00 60.42 H new ATOM 0 HG22 VAL A 11 0.977 -12.157 -1.121 1.00 60.42 H new ATOM 0 HG23 VAL A 11 -0.732 -12.454 -1.521 1.00 60.42 H new ATOM 143 N THR A 12 1.449 -15.962 1.568 1.00 12.21 N ATOM 144 CA THR A 12 1.529 -16.831 2.749 1.00 54.25 C ATOM 145 C THR A 12 2.235 -16.173 3.938 1.00 71.32 C ATOM 146 O THR A 12 2.207 -16.750 5.025 1.00 44.33 O ATOM 147 CB THR A 12 2.067 -18.247 2.426 1.00 43.04 C ATOM 148 OG1 THR A 12 3.475 -18.391 2.403 1.00 51.02 O ATOM 149 CG2 THR A 12 1.522 -18.810 1.116 1.00 74.54 C ATOM 0 H THR A 12 2.342 -15.562 1.281 1.00 12.21 H new ATOM 0 HA THR A 12 0.498 -16.978 3.072 1.00 54.25 H new ATOM 0 HB THR A 12 1.695 -18.815 3.279 1.00 43.04 H new ATOM 0 HG1 THR A 12 3.705 -19.320 2.192 1.00 51.02 H new ATOM 0 HG21 THR A 12 1.936 -19.804 0.947 1.00 74.54 H new ATOM 0 HG22 THR A 12 0.435 -18.875 1.172 1.00 74.54 H new ATOM 0 HG23 THR A 12 1.804 -18.154 0.293 1.00 74.54 H new ATOM 157 N GLY A 13 2.816 -14.975 3.793 1.00 62.31 N ATOM 158 CA GLY A 13 3.460 -14.303 4.909 1.00 13.14 C ATOM 159 C GLY A 13 3.557 -12.801 4.690 1.00 33.11 C ATOM 160 O GLY A 13 3.561 -12.337 3.544 1.00 13.42 O ATOM 0 H GLY A 13 2.849 -14.460 2.913 1.00 62.31 H new ATOM 0 HA2 GLY A 13 2.900 -14.501 5.823 1.00 13.14 H new ATOM 0 HA3 GLY A 13 4.459 -14.714 5.052 1.00 13.14 H new ATOM 164 N LEU A 14 3.625 -12.069 5.806 1.00 52.32 N ATOM 165 CA LEU A 14 3.639 -10.613 5.909 1.00 63.41 C ATOM 166 C LEU A 14 4.456 -10.233 7.151 1.00 1.10 C ATOM 167 O LEU A 14 4.124 -10.708 8.247 1.00 62.44 O ATOM 168 CB LEU A 14 2.198 -10.074 6.067 1.00 1.13 C ATOM 169 CG LEU A 14 1.270 -10.262 4.849 1.00 15.40 C ATOM 170 CD1 LEU A 14 -0.188 -9.982 5.217 1.00 33.31 C ATOM 171 CD2 LEU A 14 1.634 -9.319 3.703 1.00 71.53 C ATOM 0 H LEU A 14 3.675 -12.512 6.723 1.00 52.32 H new ATOM 0 HA LEU A 14 4.077 -10.183 5.008 1.00 63.41 H new ATOM 0 HB2 LEU A 14 1.740 -10.563 6.927 1.00 1.13 H new ATOM 0 HB3 LEU A 14 2.252 -9.010 6.297 1.00 1.13 H new ATOM 0 HG LEU A 14 1.397 -11.298 4.534 1.00 15.40 H new ATOM 0 HD11 LEU A 14 -0.818 -10.122 4.339 1.00 33.31 H new ATOM 0 HD12 LEU A 14 -0.503 -10.668 6.003 1.00 33.31 H new ATOM 0 HD13 LEU A 14 -0.283 -8.956 5.571 1.00 33.31 H new ATOM 0 HD21 LEU A 14 0.956 -9.485 2.866 1.00 71.53 H new ATOM 0 HD22 LEU A 14 1.548 -8.286 4.040 1.00 71.53 H new ATOM 0 HD23 LEU A 14 2.658 -9.512 3.384 1.00 71.53 H new ATOM 182 N LYS A 15 5.486 -9.384 7.020 1.00 14.21 N ATOM 183 CA LYS A 15 6.280 -8.850 8.139 1.00 24.33 C ATOM 184 C LYS A 15 6.350 -7.334 8.044 1.00 65.13 C ATOM 185 O LYS A 15 6.396 -6.773 6.955 1.00 41.45 O ATOM 186 CB LYS A 15 7.714 -9.427 8.163 1.00 22.41 C ATOM 187 CG LYS A 15 7.986 -10.356 9.356 1.00 43.31 C ATOM 188 CD LYS A 15 7.261 -11.700 9.232 1.00 63.23 C ATOM 189 CE LYS A 15 6.573 -12.132 10.527 1.00 55.22 C ATOM 190 NZ LYS A 15 7.421 -13.027 11.337 1.00 64.13 N ATOM 0 H LYS A 15 5.798 -9.041 6.112 1.00 14.21 H new ATOM 0 HA LYS A 15 5.783 -9.149 9.062 1.00 24.33 H new ATOM 0 HB2 LYS A 15 7.891 -9.976 7.238 1.00 22.41 H new ATOM 0 HB3 LYS A 15 8.427 -8.603 8.185 1.00 22.41 H new ATOM 0 HG2 LYS A 15 9.059 -10.532 9.438 1.00 43.31 H new ATOM 0 HG3 LYS A 15 7.673 -9.862 10.276 1.00 43.31 H new ATOM 0 HD2 LYS A 15 6.518 -11.633 8.438 1.00 63.23 H new ATOM 0 HD3 LYS A 15 7.977 -12.466 8.935 1.00 63.23 H new ATOM 0 HE2 LYS A 15 6.317 -11.249 11.112 1.00 55.22 H new ATOM 0 HE3 LYS A 15 5.638 -12.638 10.288 1.00 55.22 H new ATOM 0 HZ1 LYS A 15 6.914 -13.294 12.205 1.00 64.13 H new ATOM 0 HZ2 LYS A 15 7.645 -13.882 10.790 1.00 64.13 H new ATOM 0 HZ3 LYS A 15 8.303 -12.536 11.588 1.00 64.13 H new ATOM 200 N LEU A 16 6.382 -6.657 9.187 1.00 4.03 N ATOM 201 CA LEU A 16 6.437 -5.202 9.271 1.00 4.32 C ATOM 202 C LEU A 16 7.834 -4.756 9.665 1.00 50.41 C ATOM 203 O LEU A 16 8.573 -5.467 10.354 1.00 71.15 O ATOM 204 CB LEU A 16 5.422 -4.726 10.328 1.00 72.54 C ATOM 205 CG LEU A 16 4.064 -4.281 9.770 1.00 45.23 C ATOM 206 CD1 LEU A 16 4.180 -2.992 8.971 1.00 73.43 C ATOM 207 CD2 LEU A 16 3.377 -5.349 8.921 1.00 50.01 C ATOM 0 H LEU A 16 6.370 -7.114 10.099 1.00 4.03 H new ATOM 0 HA LEU A 16 6.193 -4.770 8.300 1.00 4.32 H new ATOM 0 HB2 LEU A 16 5.258 -5.534 11.041 1.00 72.54 H new ATOM 0 HB3 LEU A 16 5.860 -3.896 10.882 1.00 72.54 H new ATOM 0 HG LEU A 16 3.439 -4.108 10.646 1.00 45.23 H new ATOM 0 HD11 LEU A 16 3.198 -2.709 8.592 1.00 73.43 H new ATOM 0 HD12 LEU A 16 4.563 -2.199 9.613 1.00 73.43 H new ATOM 0 HD13 LEU A 16 4.862 -3.143 8.134 1.00 73.43 H new ATOM 0 HD21 LEU A 16 2.422 -4.967 8.559 1.00 50.01 H new ATOM 0 HD22 LEU A 16 4.012 -5.603 8.072 1.00 50.01 H new ATOM 0 HD23 LEU A 16 3.206 -6.240 9.525 1.00 50.01 H new ATOM 218 N LYS A 17 8.156 -3.517 9.295 1.00 52.31 N ATOM 219 CA LYS A 17 9.418 -2.870 9.641 1.00 44.05 C ATOM 220 C LYS A 17 9.192 -1.419 10.033 1.00 53.15 C ATOM 221 O LYS A 17 9.599 -0.487 9.332 1.00 5.10 O ATOM 222 CB LYS A 17 10.491 -3.057 8.558 1.00 1.30 C ATOM 223 CG LYS A 17 10.099 -2.509 7.200 1.00 63.11 C ATOM 224 CD LYS A 17 9.987 -3.587 6.126 1.00 43.21 C ATOM 225 CE LYS A 17 11.302 -3.650 5.337 1.00 21.43 C ATOM 226 NZ LYS A 17 12.399 -4.402 5.985 1.00 31.50 N ATOM 0 H LYS A 17 7.537 -2.927 8.738 1.00 52.31 H new ATOM 0 HA LYS A 17 9.822 -3.371 10.521 1.00 44.05 H new ATOM 0 HB2 LYS A 17 11.410 -2.569 8.884 1.00 1.30 H new ATOM 0 HB3 LYS A 17 10.712 -4.120 8.459 1.00 1.30 H new ATOM 0 HG2 LYS A 17 9.144 -1.991 7.286 1.00 63.11 H new ATOM 0 HG3 LYS A 17 10.836 -1.769 6.887 1.00 63.11 H new ATOM 0 HD2 LYS A 17 9.777 -4.553 6.584 1.00 43.21 H new ATOM 0 HD3 LYS A 17 9.157 -3.365 5.456 1.00 43.21 H new ATOM 0 HE2 LYS A 17 11.101 -4.101 4.365 1.00 21.43 H new ATOM 0 HE3 LYS A 17 11.643 -2.632 5.152 1.00 21.43 H new ATOM 0 HZ1 LYS A 17 13.314 -4.011 5.683 1.00 31.50 H new ATOM 0 HZ2 LYS A 17 12.312 -4.321 7.018 1.00 31.50 H new ATOM 0 HZ3 LYS A 17 12.343 -5.403 5.710 1.00 31.50 H new ATOM 236 N ARG A 18 8.621 -1.228 11.224 1.00 4.01 N ATOM 237 CA ARG A 18 8.383 0.090 11.815 1.00 53.42 C ATOM 238 C ARG A 18 9.611 1.003 11.752 1.00 14.12 C ATOM 239 O ARG A 18 9.448 2.206 11.568 1.00 32.54 O ATOM 240 CB ARG A 18 7.865 -0.077 13.254 1.00 44.04 C ATOM 241 CG ARG A 18 8.952 -0.555 14.241 1.00 30.31 C ATOM 242 CD ARG A 18 8.433 -1.570 15.254 1.00 44.15 C ATOM 243 NE ARG A 18 7.347 -1.034 16.086 1.00 25.31 N ATOM 244 CZ ARG A 18 6.404 -1.773 16.679 1.00 1.42 C ATOM 245 NH1 ARG A 18 6.307 -3.071 16.433 1.00 65.32 N ATOM 246 NH2 ARG A 18 5.562 -1.196 17.522 1.00 43.31 N ATOM 0 H ARG A 18 8.306 -1.998 11.814 1.00 4.01 H new ATOM 0 HA ARG A 18 7.620 0.591 11.219 1.00 53.42 H new ATOM 0 HB2 ARG A 18 7.462 0.875 13.601 1.00 44.04 H new ATOM 0 HB3 ARG A 18 7.042 -0.792 13.256 1.00 44.04 H new ATOM 0 HG2 ARG A 18 9.775 -0.998 13.680 1.00 30.31 H new ATOM 0 HG3 ARG A 18 9.356 0.306 14.773 1.00 30.31 H new ATOM 0 HD2 ARG A 18 8.078 -2.455 14.726 1.00 44.15 H new ATOM 0 HD3 ARG A 18 9.254 -1.889 15.896 1.00 44.15 H new ATOM 0 HE ARG A 18 7.310 -0.024 16.221 1.00 25.31 H new ATOM 0 HH11 ARG A 18 6.956 -3.517 15.785 1.00 65.32 H new ATOM 0 HH12 ARG A 18 5.583 -3.624 16.892 1.00 65.32 H new ATOM 0 HH21 ARG A 18 5.637 -0.197 17.714 1.00 43.31 H new ATOM 0 HH22 ARG A 18 4.839 -1.751 17.980 1.00 43.31 H new ATOM 257 N LYS A 19 10.821 0.435 11.839 1.00 65.45 N ATOM 258 CA LYS A 19 12.106 1.133 11.834 1.00 1.14 C ATOM 259 C LYS A 19 12.342 1.964 10.568 1.00 34.14 C ATOM 260 O LYS A 19 13.194 2.840 10.601 1.00 11.34 O ATOM 261 CB LYS A 19 13.255 0.125 12.070 1.00 13.34 C ATOM 262 CG LYS A 19 13.155 -0.545 13.455 1.00 54.12 C ATOM 263 CD LYS A 19 14.337 -1.461 13.815 1.00 44.03 C ATOM 264 CE LYS A 19 14.269 -2.850 13.163 1.00 22.50 C ATOM 265 NZ LYS A 19 15.196 -3.807 13.811 1.00 21.33 N ATOM 0 H LYS A 19 10.932 -0.576 11.919 1.00 65.45 H new ATOM 0 HA LYS A 19 12.084 1.851 12.654 1.00 1.14 H new ATOM 0 HB2 LYS A 19 13.232 -0.640 11.294 1.00 13.34 H new ATOM 0 HB3 LYS A 19 14.212 0.639 11.983 1.00 13.34 H new ATOM 0 HG2 LYS A 19 13.072 0.233 14.214 1.00 54.12 H new ATOM 0 HG3 LYS A 19 12.236 -1.129 13.495 1.00 54.12 H new ATOM 0 HD2 LYS A 19 15.265 -0.975 13.515 1.00 44.03 H new ATOM 0 HD3 LYS A 19 14.375 -1.580 14.898 1.00 44.03 H new ATOM 0 HE2 LYS A 19 13.250 -3.232 13.226 1.00 22.50 H new ATOM 0 HE3 LYS A 19 14.514 -2.767 12.104 1.00 22.50 H new ATOM 0 HZ1 LYS A 19 15.122 -4.733 13.344 1.00 21.33 H new ATOM 0 HZ2 LYS A 19 16.171 -3.455 13.729 1.00 21.33 H new ATOM 0 HZ3 LYS A 19 14.947 -3.905 14.816 1.00 21.33 H new ATOM 275 N SER A 20 11.607 1.725 9.480 1.00 10.01 N ATOM 276 CA SER A 20 11.644 2.542 8.265 1.00 13.44 C ATOM 277 C SER A 20 10.251 2.677 7.613 1.00 2.11 C ATOM 278 O SER A 20 10.132 3.227 6.521 1.00 61.42 O ATOM 279 CB SER A 20 12.689 1.943 7.317 1.00 12.14 C ATOM 280 OG SER A 20 13.986 2.423 7.592 1.00 71.15 O ATOM 0 H SER A 20 10.956 0.942 9.418 1.00 10.01 H new ATOM 0 HA SER A 20 11.935 3.562 8.515 1.00 13.44 H new ATOM 0 HB2 SER A 20 12.678 0.857 7.405 1.00 12.14 H new ATOM 0 HB3 SER A 20 12.424 2.182 6.287 1.00 12.14 H new ATOM 0 HG SER A 20 14.048 2.674 8.537 1.00 71.15 H new ATOM 285 N ARG A 21 9.188 2.238 8.304 1.00 21.53 N ATOM 286 CA ARG A 21 7.774 2.456 7.979 1.00 71.35 C ATOM 287 C ARG A 21 7.219 1.614 6.808 1.00 24.34 C ATOM 288 O ARG A 21 6.136 1.919 6.309 1.00 62.24 O ATOM 289 CB ARG A 21 7.450 3.977 7.886 1.00 71.53 C ATOM 290 CG ARG A 21 6.977 4.593 9.209 1.00 42.03 C ATOM 291 CD ARG A 21 8.105 5.026 10.163 1.00 61.23 C ATOM 292 NE ARG A 21 8.782 6.242 9.684 1.00 43.05 N ATOM 293 CZ ARG A 21 9.983 6.714 10.038 1.00 25.10 C ATOM 294 NH1 ARG A 21 10.689 6.115 10.994 1.00 52.14 N ATOM 295 NH2 ARG A 21 10.480 7.789 9.435 1.00 10.01 N ATOM 0 H ARG A 21 9.302 1.688 9.156 1.00 21.53 H new ATOM 0 HA ARG A 21 7.212 2.055 8.823 1.00 71.35 H new ATOM 0 HB2 ARG A 21 8.339 4.508 7.547 1.00 71.53 H new ATOM 0 HB3 ARG A 21 6.680 4.129 7.130 1.00 71.53 H new ATOM 0 HG2 ARG A 21 6.356 5.461 8.987 1.00 42.03 H new ATOM 0 HG3 ARG A 21 6.343 3.870 9.723 1.00 42.03 H new ATOM 0 HD2 ARG A 21 7.694 5.205 11.156 1.00 61.23 H new ATOM 0 HD3 ARG A 21 8.831 4.219 10.259 1.00 61.23 H new ATOM 0 HE ARG A 21 8.271 6.795 8.995 1.00 43.05 H new ATOM 0 HH11 ARG A 21 10.315 5.290 11.463 1.00 52.14 H new ATOM 0 HH12 ARG A 21 11.604 6.481 11.258 1.00 52.14 H new ATOM 0 HH21 ARG A 21 9.946 8.255 8.702 1.00 10.01 H new ATOM 0 HH22 ARG A 21 11.396 8.148 9.706 1.00 10.01 H new ATOM 306 N GLN A 22 7.846 0.493 6.428 1.00 30.24 N ATOM 307 CA GLN A 22 7.380 -0.336 5.309 1.00 25.43 C ATOM 308 C GLN A 22 6.733 -1.655 5.800 1.00 54.33 C ATOM 309 O GLN A 22 6.790 -1.988 6.989 1.00 65.52 O ATOM 310 CB GLN A 22 8.555 -0.614 4.359 1.00 74.14 C ATOM 311 CG GLN A 22 8.997 0.524 3.426 1.00 4.33 C ATOM 312 CD GLN A 22 10.045 0.020 2.429 1.00 73.44 C ATOM 313 OE1 GLN A 22 9.735 -0.679 1.467 1.00 45.21 O ATOM 314 NE2 GLN A 22 11.311 0.287 2.661 1.00 65.44 N ATOM 0 H GLN A 22 8.686 0.137 6.885 1.00 30.24 H new ATOM 0 HA GLN A 22 6.605 0.210 4.772 1.00 25.43 H new ATOM 0 HB2 GLN A 22 9.414 -0.907 4.963 1.00 74.14 H new ATOM 0 HB3 GLN A 22 8.292 -1.473 3.741 1.00 74.14 H new ATOM 0 HG2 GLN A 22 8.134 0.918 2.889 1.00 4.33 H new ATOM 0 HG3 GLN A 22 9.409 1.345 4.013 1.00 4.33 H new ATOM 0 HE21 GLN A 22 11.572 0.867 3.459 1.00 65.44 H new ATOM 0 HE22 GLN A 22 12.032 -0.086 2.043 1.00 65.44 H new ATOM 321 N LEU A 23 6.152 -2.424 4.869 1.00 14.13 N ATOM 322 CA LEU A 23 5.536 -3.753 5.023 1.00 24.14 C ATOM 323 C LEU A 23 6.042 -4.678 3.914 1.00 5.42 C ATOM 324 O LEU A 23 6.139 -4.248 2.771 1.00 42.05 O ATOM 325 CB LEU A 23 3.992 -3.605 5.041 1.00 53.15 C ATOM 326 CG LEU A 23 3.062 -4.807 4.748 1.00 21.44 C ATOM 327 CD1 LEU A 23 2.807 -4.935 3.255 1.00 1.24 C ATOM 328 CD2 LEU A 23 3.361 -6.143 5.428 1.00 72.32 C ATOM 0 H LEU A 23 6.095 -2.105 3.902 1.00 14.13 H new ATOM 0 HA LEU A 23 5.822 -4.209 5.971 1.00 24.14 H new ATOM 0 HB2 LEU A 23 3.721 -3.228 6.027 1.00 53.15 H new ATOM 0 HB3 LEU A 23 3.740 -2.826 4.321 1.00 53.15 H new ATOM 0 HG LEU A 23 2.137 -4.540 5.260 1.00 21.44 H new ATOM 0 HD11 LEU A 23 2.151 -5.786 3.070 1.00 1.24 H new ATOM 0 HD12 LEU A 23 2.333 -4.025 2.887 1.00 1.24 H new ATOM 0 HD13 LEU A 23 3.753 -5.087 2.736 1.00 1.24 H new ATOM 0 HD21 LEU A 23 2.621 -6.882 5.121 1.00 72.32 H new ATOM 0 HD22 LEU A 23 4.355 -6.484 5.139 1.00 72.32 H new ATOM 0 HD23 LEU A 23 3.321 -6.018 6.510 1.00 72.32 H new ATOM 339 N GLU A 24 6.377 -5.921 4.260 1.00 44.05 N ATOM 340 CA GLU A 24 7.010 -6.959 3.433 1.00 34.54 C ATOM 341 C GLU A 24 6.005 -8.083 3.187 1.00 42.14 C ATOM 342 O GLU A 24 5.226 -8.398 4.089 1.00 41.02 O ATOM 343 CB GLU A 24 8.217 -7.581 4.163 1.00 14.34 C ATOM 344 CG GLU A 24 9.200 -6.524 4.658 1.00 24.14 C ATOM 345 CD GLU A 24 10.357 -7.092 5.480 1.00 3.10 C ATOM 346 OE1 GLU A 24 10.129 -7.659 6.571 1.00 21.13 O ATOM 347 OE2 GLU A 24 11.530 -6.833 5.117 1.00 34.32 O ATOM 0 H GLU A 24 6.199 -6.260 5.205 1.00 44.05 H new ATOM 0 HA GLU A 24 7.335 -6.497 2.501 1.00 34.54 H new ATOM 0 HB2 GLU A 24 7.863 -8.170 5.009 1.00 14.34 H new ATOM 0 HB3 GLU A 24 8.732 -8.267 3.490 1.00 14.34 H new ATOM 0 HG2 GLU A 24 9.605 -5.988 3.800 1.00 24.14 H new ATOM 0 HG3 GLU A 24 8.661 -5.795 5.263 1.00 24.14 H new ATOM 352 N ILE A 25 6.022 -8.679 1.993 1.00 20.23 N ATOM 353 CA ILE A 25 4.962 -9.528 1.463 1.00 72.24 C ATOM 354 C ILE A 25 5.631 -10.695 0.731 1.00 33.12 C ATOM 355 O ILE A 25 6.524 -10.450 -0.085 1.00 33.24 O ATOM 356 CB ILE A 25 4.095 -8.669 0.500 1.00 20.41 C ATOM 357 CG1 ILE A 25 3.419 -7.450 1.194 1.00 23.20 C ATOM 358 CG2 ILE A 25 2.997 -9.507 -0.184 1.00 60.22 C ATOM 359 CD1 ILE A 25 3.096 -6.331 0.204 1.00 0.03 C ATOM 0 H ILE A 25 6.805 -8.578 1.347 1.00 20.23 H new ATOM 0 HA ILE A 25 4.316 -9.926 2.245 1.00 72.24 H new ATOM 0 HB ILE A 25 4.799 -8.294 -0.243 1.00 20.41 H new ATOM 0 HG12 ILE A 25 2.502 -7.775 1.684 1.00 23.20 H new ATOM 0 HG13 ILE A 25 4.078 -7.066 1.973 1.00 23.20 H new ATOM 0 HG21 ILE A 25 2.414 -8.870 -0.848 1.00 60.22 H new ATOM 0 HG22 ILE A 25 3.458 -10.308 -0.762 1.00 60.22 H new ATOM 0 HG23 ILE A 25 2.342 -9.937 0.574 1.00 60.22 H new ATOM 0 HD11 ILE A 25 2.626 -5.502 0.733 1.00 0.03 H new ATOM 0 HD12 ILE A 25 4.016 -5.986 -0.268 1.00 0.03 H new ATOM 0 HD13 ILE A 25 2.415 -6.707 -0.560 1.00 0.03 H new ATOM 370 N SER A 26 5.162 -11.930 0.949 1.00 35.33 N ATOM 371 CA SER A 26 5.665 -13.131 0.282 1.00 62.54 C ATOM 372 C SER A 26 4.528 -13.987 -0.279 1.00 15.24 C ATOM 373 O SER A 26 3.496 -14.195 0.371 1.00 31.40 O ATOM 374 CB SER A 26 6.552 -13.911 1.259 1.00 43.12 C ATOM 375 OG SER A 26 7.112 -15.077 0.679 1.00 35.33 O ATOM 0 H SER A 26 4.407 -12.123 1.608 1.00 35.33 H new ATOM 0 HA SER A 26 6.267 -12.838 -0.578 1.00 62.54 H new ATOM 0 HB2 SER A 26 7.355 -13.263 1.610 1.00 43.12 H new ATOM 0 HB3 SER A 26 5.964 -14.192 2.133 1.00 43.12 H new ATOM 0 HG SER A 26 7.669 -15.537 1.341 1.00 35.33 H new ATOM 380 N PHE A 27 4.753 -14.518 -1.481 1.00 15.01 N ATOM 381 CA PHE A 27 3.839 -15.374 -2.233 1.00 61.43 C ATOM 382 C PHE A 27 4.232 -16.844 -2.136 1.00 2.14 C ATOM 383 O PHE A 27 5.389 -17.165 -1.858 1.00 3.34 O ATOM 384 CB PHE A 27 3.815 -14.933 -3.704 1.00 40.11 C ATOM 385 CG PHE A 27 2.827 -13.822 -3.974 1.00 41.13 C ATOM 386 CD1 PHE A 27 1.471 -14.061 -3.718 1.00 35.51 C ATOM 387 CD2 PHE A 27 3.224 -12.579 -4.496 1.00 75.52 C ATOM 388 CE1 PHE A 27 0.510 -13.073 -3.952 1.00 75.43 C ATOM 389 CE2 PHE A 27 2.250 -11.596 -4.751 1.00 42.33 C ATOM 390 CZ PHE A 27 0.896 -11.829 -4.468 1.00 72.22 C ATOM 0 H PHE A 27 5.626 -14.353 -1.982 1.00 15.01 H new ATOM 0 HA PHE A 27 2.845 -15.270 -1.798 1.00 61.43 H new ATOM 0 HB2 PHE A 27 4.812 -14.603 -3.994 1.00 40.11 H new ATOM 0 HB3 PHE A 27 3.568 -15.790 -4.330 1.00 40.11 H new ATOM 0 HD1 PHE A 27 1.163 -15.022 -3.334 1.00 35.51 H new ATOM 0 HD2 PHE A 27 4.266 -12.380 -4.699 1.00 75.52 H new ATOM 0 HE1 PHE A 27 -0.530 -13.269 -3.735 1.00 75.43 H new ATOM 0 HE2 PHE A 27 2.550 -10.647 -5.171 1.00 42.33 H new ATOM 0 HZ PHE A 27 0.160 -11.059 -4.646 1.00 72.22 H new ATOM 399 N ASP A 28 3.280 -17.748 -2.395 1.00 24.41 N ATOM 400 CA ASP A 28 3.529 -19.196 -2.312 1.00 63.31 C ATOM 401 C ASP A 28 4.394 -19.674 -3.483 1.00 13.14 C ATOM 402 O ASP A 28 5.112 -20.663 -3.374 1.00 44.42 O ATOM 403 CB ASP A 28 2.187 -19.943 -2.298 1.00 53.45 C ATOM 404 CG ASP A 28 2.282 -21.429 -1.922 1.00 54.34 C ATOM 405 OD1 ASP A 28 3.127 -21.826 -1.084 1.00 2.32 O ATOM 406 OD2 ASP A 28 1.396 -22.191 -2.381 1.00 42.22 O ATOM 0 H ASP A 28 2.327 -17.504 -2.665 1.00 24.41 H new ATOM 0 HA ASP A 28 4.072 -19.407 -1.391 1.00 63.31 H new ATOM 0 HB2 ASP A 28 1.518 -19.447 -1.595 1.00 53.45 H new ATOM 0 HB3 ASP A 28 1.731 -19.861 -3.284 1.00 53.45 H new ATOM 410 N ASN A 29 4.371 -18.939 -4.602 1.00 64.22 N ATOM 411 CA ASN A 29 5.071 -19.325 -5.825 1.00 34.33 C ATOM 412 C ASN A 29 6.587 -19.171 -5.739 1.00 43.23 C ATOM 413 O ASN A 29 7.293 -19.911 -6.426 1.00 22.24 O ATOM 414 CB ASN A 29 4.534 -18.556 -7.042 1.00 40.41 C ATOM 415 CG ASN A 29 5.086 -17.140 -7.202 1.00 35.53 C ATOM 416 OD1 ASN A 29 6.245 -16.918 -7.498 1.00 12.34 O ATOM 417 ND2 ASN A 29 4.262 -16.128 -7.013 1.00 32.33 N ATOM 0 H ASN A 29 3.864 -18.058 -4.681 1.00 64.22 H new ATOM 0 HA ASN A 29 4.869 -20.389 -5.950 1.00 34.33 H new ATOM 0 HB2 ASN A 29 4.764 -19.124 -7.943 1.00 40.41 H new ATOM 0 HB3 ASN A 29 3.448 -18.501 -6.969 1.00 40.41 H new ATOM 0 HD21 ASN A 29 4.598 -15.171 -7.115 1.00 32.33 H new ATOM 0 HD22 ASN A 29 3.288 -16.303 -6.765 1.00 32.33 H new ATOM 423 N GLY A 30 7.080 -18.251 -4.906 1.00 44.35 N ATOM 424 CA GLY A 30 8.470 -17.817 -4.913 1.00 21.51 C ATOM 425 C GLY A 30 8.624 -16.397 -5.450 1.00 0.40 C ATOM 426 O GLY A 30 9.412 -16.167 -6.365 1.00 44.15 O ATOM 0 H GLY A 30 6.513 -17.783 -4.199 1.00 44.35 H new ATOM 0 HA2 GLY A 30 8.870 -17.867 -3.900 1.00 21.51 H new ATOM 0 HA3 GLY A 30 9.060 -18.501 -5.523 1.00 21.51 H new ATOM 430 N GLN A 31 7.884 -15.446 -4.875 1.00 51.04 N ATOM 431 CA GLN A 31 8.047 -14.015 -5.063 1.00 41.44 C ATOM 432 C GLN A 31 7.967 -13.332 -3.706 1.00 64.54 C ATOM 433 O GLN A 31 7.208 -13.779 -2.840 1.00 60.15 O ATOM 434 CB GLN A 31 6.944 -13.474 -5.993 1.00 0.22 C ATOM 435 CG GLN A 31 7.412 -13.512 -7.443 1.00 33.11 C ATOM 436 CD GLN A 31 8.474 -12.437 -7.680 1.00 75.11 C ATOM 437 OE1 GLN A 31 9.670 -12.693 -7.600 1.00 71.52 O ATOM 438 NE2 GLN A 31 8.065 -11.197 -7.883 1.00 74.52 N ATOM 0 H GLN A 31 7.121 -15.671 -4.237 1.00 51.04 H new ATOM 0 HA GLN A 31 9.014 -13.812 -5.522 1.00 41.44 H new ATOM 0 HB2 GLN A 31 6.038 -14.070 -5.880 1.00 0.22 H new ATOM 0 HB3 GLN A 31 6.690 -12.452 -5.712 1.00 0.22 H new ATOM 0 HG2 GLN A 31 7.820 -14.495 -7.676 1.00 33.11 H new ATOM 0 HG3 GLN A 31 6.566 -13.352 -8.111 1.00 33.11 H new ATOM 0 HE21 GLN A 31 7.068 -10.993 -7.948 1.00 74.52 H new ATOM 0 HE22 GLN A 31 8.747 -10.444 -7.974 1.00 74.52 H new ATOM 445 N GLN A 32 8.708 -12.234 -3.560 1.00 12.01 N ATOM 446 CA GLN A 32 8.684 -11.346 -2.409 1.00 11.22 C ATOM 447 C GLN A 32 8.836 -9.905 -2.870 1.00 13.21 C ATOM 448 O GLN A 32 9.454 -9.643 -3.905 1.00 42.44 O ATOM 449 CB GLN A 32 9.818 -11.707 -1.441 1.00 61.22 C ATOM 450 CG GLN A 32 9.296 -12.622 -0.336 1.00 52.12 C ATOM 451 CD GLN A 32 10.418 -13.450 0.258 1.00 14.32 C ATOM 452 OE1 GLN A 32 10.968 -13.116 1.302 1.00 3.00 O ATOM 453 NE2 GLN A 32 10.763 -14.533 -0.410 1.00 21.32 N ATOM 0 H GLN A 32 9.369 -11.930 -4.275 1.00 12.01 H new ATOM 0 HA GLN A 32 7.731 -11.459 -1.892 1.00 11.22 H new ATOM 0 HB2 GLN A 32 10.624 -12.202 -1.982 1.00 61.22 H new ATOM 0 HB3 GLN A 32 10.236 -10.800 -1.005 1.00 61.22 H new ATOM 0 HG2 GLN A 32 8.828 -12.024 0.446 1.00 52.12 H new ATOM 0 HG3 GLN A 32 8.526 -13.281 -0.738 1.00 52.12 H new ATOM 0 HE21 GLN A 32 10.279 -14.775 -1.275 1.00 21.32 H new ATOM 0 HE22 GLN A 32 11.514 -15.129 -0.062 1.00 21.32 H new ATOM 460 N PHE A 33 8.301 -8.978 -2.078 1.00 21.20 N ATOM 461 CA PHE A 33 8.476 -7.544 -2.235 1.00 55.15 C ATOM 462 C PHE A 33 8.170 -6.843 -0.911 1.00 34.24 C ATOM 463 O PHE A 33 7.849 -7.493 0.090 1.00 71.55 O ATOM 464 CB PHE A 33 7.608 -7.019 -3.390 1.00 72.24 C ATOM 465 CG PHE A 33 6.208 -7.561 -3.527 1.00 51.05 C ATOM 466 CD1 PHE A 33 5.165 -6.994 -2.781 1.00 42.35 C ATOM 467 CD2 PHE A 33 5.931 -8.529 -4.508 1.00 51.13 C ATOM 468 CE1 PHE A 33 3.844 -7.396 -3.024 1.00 3.02 C ATOM 469 CE2 PHE A 33 4.610 -8.940 -4.737 1.00 0.43 C ATOM 470 CZ PHE A 33 3.567 -8.387 -3.973 1.00 2.34 C ATOM 0 H PHE A 33 7.712 -9.219 -1.281 1.00 21.20 H new ATOM 0 HA PHE A 33 9.512 -7.325 -2.495 1.00 55.15 H new ATOM 0 HB2 PHE A 33 7.538 -5.936 -3.289 1.00 72.24 H new ATOM 0 HB3 PHE A 33 8.136 -7.219 -4.322 1.00 72.24 H new ATOM 0 HD1 PHE A 33 5.378 -6.253 -2.025 1.00 42.35 H new ATOM 0 HD2 PHE A 33 6.737 -8.957 -5.086 1.00 51.13 H new ATOM 0 HE1 PHE A 33 3.034 -6.938 -2.475 1.00 3.02 H new ATOM 0 HE2 PHE A 33 4.395 -9.677 -5.496 1.00 0.43 H new ATOM 0 HZ PHE A 33 2.552 -8.727 -4.118 1.00 2.34 H new ATOM 479 N THR A 34 8.306 -5.522 -0.887 1.00 5.12 N ATOM 480 CA THR A 34 8.000 -4.637 0.222 1.00 45.42 C ATOM 481 C THR A 34 7.311 -3.395 -0.366 1.00 62.14 C ATOM 482 O THR A 34 7.564 -3.047 -1.517 1.00 73.55 O ATOM 483 CB THR A 34 9.319 -4.277 0.933 1.00 64.54 C ATOM 484 OG1 THR A 34 10.086 -5.429 1.245 1.00 42.41 O ATOM 485 CG2 THR A 34 9.131 -3.532 2.245 1.00 54.33 C ATOM 0 H THR A 34 8.656 -5.011 -1.697 1.00 5.12 H new ATOM 0 HA THR A 34 7.338 -5.099 0.955 1.00 45.42 H new ATOM 0 HB THR A 34 9.827 -3.634 0.214 1.00 64.54 H new ATOM 0 HG1 THR A 34 10.915 -5.159 1.693 1.00 42.41 H new ATOM 0 HG21 THR A 34 10.105 -3.315 2.683 1.00 54.33 H new ATOM 0 HG22 THR A 34 8.600 -2.598 2.060 1.00 54.33 H new ATOM 0 HG23 THR A 34 8.553 -4.148 2.934 1.00 54.33 H new ATOM 493 N LEU A 35 6.442 -2.730 0.397 1.00 3.14 N ATOM 494 CA LEU A 35 5.791 -1.462 0.059 1.00 31.20 C ATOM 495 C LEU A 35 5.790 -0.544 1.278 1.00 11.31 C ATOM 496 O LEU A 35 5.887 -1.024 2.412 1.00 71.13 O ATOM 497 CB LEU A 35 4.337 -1.743 -0.330 1.00 14.34 C ATOM 498 CG LEU A 35 4.166 -2.175 -1.792 1.00 43.13 C ATOM 499 CD1 LEU A 35 2.942 -3.070 -1.892 1.00 31.33 C ATOM 500 CD2 LEU A 35 3.963 -0.954 -2.684 1.00 11.20 C ATOM 0 H LEU A 35 6.159 -3.078 1.313 1.00 3.14 H new ATOM 0 HA LEU A 35 6.327 -0.988 -0.763 1.00 31.20 H new ATOM 0 HB2 LEU A 35 3.940 -2.523 0.320 1.00 14.34 H new ATOM 0 HB3 LEU A 35 3.742 -0.847 -0.152 1.00 14.34 H new ATOM 0 HG LEU A 35 5.059 -2.707 -2.119 1.00 43.13 H new ATOM 0 HD11 LEU A 35 2.806 -3.386 -2.926 1.00 31.33 H new ATOM 0 HD12 LEU A 35 3.080 -3.947 -1.259 1.00 31.33 H new ATOM 0 HD13 LEU A 35 2.061 -2.520 -1.562 1.00 31.33 H new ATOM 0 HD21 LEU A 35 3.843 -1.275 -3.719 1.00 11.20 H new ATOM 0 HD22 LEU A 35 3.071 -0.415 -2.366 1.00 11.20 H new ATOM 0 HD23 LEU A 35 4.830 -0.298 -2.606 1.00 11.20 H new ATOM 511 N SER A 36 5.562 0.756 1.082 1.00 2.04 N ATOM 512 CA SER A 36 5.616 1.746 2.161 1.00 63.54 C ATOM 513 C SER A 36 4.219 2.185 2.601 1.00 1.13 C ATOM 514 O SER A 36 3.276 2.195 1.801 1.00 64.53 O ATOM 515 CB SER A 36 6.497 2.926 1.750 1.00 24.13 C ATOM 516 OG SER A 36 6.976 3.537 2.926 1.00 11.34 O ATOM 0 H SER A 36 5.335 1.153 0.170 1.00 2.04 H new ATOM 0 HA SER A 36 6.072 1.279 3.034 1.00 63.54 H new ATOM 0 HB2 SER A 36 7.327 2.585 1.131 1.00 24.13 H new ATOM 0 HB3 SER A 36 5.927 3.639 1.154 1.00 24.13 H new ATOM 0 HG SER A 36 7.547 4.298 2.690 1.00 11.34 H new ATOM 521 N CYS A 37 4.073 2.519 3.891 1.00 74.32 N ATOM 522 CA CYS A 37 2.758 2.696 4.501 1.00 41.45 C ATOM 523 C CYS A 37 1.937 3.823 3.898 1.00 30.24 C ATOM 524 O CYS A 37 0.708 3.729 3.867 1.00 24.34 O ATOM 525 CB CYS A 37 2.891 2.922 5.999 1.00 14.21 C ATOM 526 SG CYS A 37 4.025 4.267 6.436 1.00 34.13 S ATOM 0 H CYS A 37 4.854 2.671 4.529 1.00 74.32 H new ATOM 0 HA CYS A 37 2.220 1.771 4.296 1.00 41.45 H new ATOM 0 HB2 CYS A 37 1.907 3.140 6.413 1.00 14.21 H new ATOM 0 HB3 CYS A 37 3.237 2.000 6.467 1.00 14.21 H new ATOM 0 HG CYS A 37 4.423 4.117 7.664 1.00 34.13 H new ATOM 531 N GLU A 38 2.589 4.890 3.448 1.00 33.42 N ATOM 532 CA GLU A 38 1.895 5.997 2.839 1.00 63.22 C ATOM 533 C GLU A 38 1.381 5.612 1.456 1.00 12.20 C ATOM 534 O GLU A 38 0.244 5.960 1.159 1.00 71.31 O ATOM 535 CB GLU A 38 2.799 7.220 2.835 1.00 5.42 C ATOM 536 CG GLU A 38 4.017 7.111 1.916 1.00 43.04 C ATOM 537 CD GLU A 38 5.062 8.109 2.390 1.00 11.04 C ATOM 538 OE1 GLU A 38 4.706 9.306 2.508 1.00 41.31 O ATOM 539 OE2 GLU A 38 6.164 7.628 2.739 1.00 11.00 O ATOM 0 H GLU A 38 3.602 5.003 3.498 1.00 33.42 H new ATOM 0 HA GLU A 38 1.011 6.256 3.422 1.00 63.22 H new ATOM 0 HB2 GLU A 38 2.212 8.088 2.536 1.00 5.42 H new ATOM 0 HB3 GLU A 38 3.144 7.404 3.853 1.00 5.42 H new ATOM 0 HG2 GLU A 38 4.421 6.099 1.939 1.00 43.04 H new ATOM 0 HG3 GLU A 38 3.734 7.318 0.884 1.00 43.04 H new ATOM 544 N LEU A 39 2.127 4.828 0.656 1.00 70.11 N ATOM 545 CA LEU A 39 1.630 4.341 -0.635 1.00 54.22 C ATOM 546 C LEU A 39 0.378 3.497 -0.402 1.00 3.44 C ATOM 547 O LEU A 39 -0.644 3.711 -1.047 1.00 25.54 O ATOM 548 CB LEU A 39 2.673 3.533 -1.426 1.00 2.10 C ATOM 549 CG LEU A 39 2.266 3.471 -2.923 1.00 21.24 C ATOM 550 CD1 LEU A 39 3.052 4.507 -3.728 1.00 63.44 C ATOM 551 CD2 LEU A 39 2.494 2.083 -3.520 1.00 73.31 C ATOM 0 H LEU A 39 3.073 4.521 0.884 1.00 70.11 H new ATOM 0 HA LEU A 39 1.398 5.215 -1.243 1.00 54.22 H new ATOM 0 HB2 LEU A 39 3.656 3.994 -1.326 1.00 2.10 H new ATOM 0 HB3 LEU A 39 2.751 2.525 -1.019 1.00 2.10 H new ATOM 0 HG LEU A 39 1.200 3.691 -2.977 1.00 21.24 H new ATOM 0 HD11 LEU A 39 2.757 4.453 -4.776 1.00 63.44 H new ATOM 0 HD12 LEU A 39 2.841 5.504 -3.342 1.00 63.44 H new ATOM 0 HD13 LEU A 39 4.119 4.303 -3.640 1.00 63.44 H new ATOM 0 HD21 LEU A 39 2.196 2.084 -4.568 1.00 73.31 H new ATOM 0 HD22 LEU A 39 3.550 1.823 -3.443 1.00 73.31 H new ATOM 0 HD23 LEU A 39 1.899 1.350 -2.975 1.00 73.31 H new ATOM 562 N LEU A 40 0.433 2.600 0.593 1.00 65.45 N ATOM 563 CA LEU A 40 -0.718 1.831 1.056 1.00 31.44 C ATOM 564 C LEU A 40 -1.895 2.772 1.368 1.00 31.13 C ATOM 565 O LEU A 40 -3.030 2.449 1.021 1.00 32.12 O ATOM 566 CB LEU A 40 -0.340 0.974 2.288 1.00 42.34 C ATOM 567 CG LEU A 40 0.164 -0.468 2.047 1.00 73.51 C ATOM 568 CD1 LEU A 40 1.142 -0.590 0.876 1.00 71.11 C ATOM 569 CD2 LEU A 40 0.873 -0.987 3.316 1.00 25.44 C ATOM 0 H LEU A 40 1.292 2.390 1.102 1.00 65.45 H new ATOM 0 HA LEU A 40 -1.030 1.151 0.263 1.00 31.44 H new ATOM 0 HB2 LEU A 40 0.432 1.509 2.841 1.00 42.34 H new ATOM 0 HB3 LEU A 40 -1.215 0.917 2.936 1.00 42.34 H new ATOM 0 HG LEU A 40 -0.719 -1.059 1.804 1.00 73.51 H new ATOM 0 HD11 LEU A 40 1.452 -1.629 0.768 1.00 71.11 H new ATOM 0 HD12 LEU A 40 0.655 -0.259 -0.041 1.00 71.11 H new ATOM 0 HD13 LEU A 40 2.017 0.032 1.066 1.00 71.11 H new ATOM 0 HD21 LEU A 40 1.228 -2.003 3.145 1.00 25.44 H new ATOM 0 HD22 LEU A 40 1.720 -0.342 3.549 1.00 25.44 H new ATOM 0 HD23 LEU A 40 0.173 -0.983 4.151 1.00 25.44 H new ATOM 580 N ARG A 41 -1.677 3.919 2.016 1.00 41.13 N ATOM 581 CA ARG A 41 -2.754 4.855 2.349 1.00 50.14 C ATOM 582 C ARG A 41 -3.296 5.545 1.102 1.00 3.11 C ATOM 583 O ARG A 41 -4.496 5.455 0.850 1.00 42.43 O ATOM 584 CB ARG A 41 -2.273 5.893 3.384 1.00 64.34 C ATOM 585 CG ARG A 41 -3.310 6.172 4.480 1.00 1.03 C ATOM 586 CD ARG A 41 -4.579 6.880 3.981 1.00 32.12 C ATOM 587 NE ARG A 41 -5.367 7.364 5.121 1.00 1.01 N ATOM 588 CZ ARG A 41 -6.355 8.265 5.094 1.00 10.01 C ATOM 589 NH1 ARG A 41 -6.821 8.754 3.952 1.00 51.11 N ATOM 590 NH2 ARG A 41 -6.835 8.717 6.242 1.00 11.34 N ATOM 0 H ARG A 41 -0.754 4.224 2.323 1.00 41.13 H new ATOM 0 HA ARG A 41 -3.569 4.281 2.790 1.00 50.14 H new ATOM 0 HB2 ARG A 41 -1.352 5.538 3.845 1.00 64.34 H new ATOM 0 HB3 ARG A 41 -2.034 6.825 2.872 1.00 64.34 H new ATOM 0 HG2 ARG A 41 -3.593 5.228 4.945 1.00 1.03 H new ATOM 0 HG3 ARG A 41 -2.847 6.783 5.255 1.00 1.03 H new ATOM 0 HD2 ARG A 41 -4.309 7.715 3.335 1.00 32.12 H new ATOM 0 HD3 ARG A 41 -5.176 6.193 3.381 1.00 32.12 H new ATOM 0 HE ARG A 41 -5.136 6.970 6.033 1.00 1.01 H new ATOM 0 HH11 ARG A 41 -6.425 8.444 3.065 1.00 51.11 H new ATOM 0 HH12 ARG A 41 -7.575 9.440 3.961 1.00 51.11 H new ATOM 0 HH21 ARG A 41 -6.451 8.378 7.124 1.00 11.34 H new ATOM 0 HH22 ARG A 41 -7.589 9.404 6.244 1.00 11.34 H new ATOM 601 N VAL A 42 -2.457 6.280 0.373 1.00 52.35 N ATOM 602 CA VAL A 42 -2.905 7.124 -0.729 1.00 21.10 C ATOM 603 C VAL A 42 -3.557 6.241 -1.797 1.00 44.03 C ATOM 604 O VAL A 42 -4.717 6.438 -2.167 1.00 3.23 O ATOM 605 CB VAL A 42 -1.758 8.029 -1.250 1.00 54.05 C ATOM 606 CG1 VAL A 42 -1.115 8.851 -0.118 1.00 12.40 C ATOM 607 CG2 VAL A 42 -0.604 7.290 -1.936 1.00 11.31 C ATOM 0 H VAL A 42 -1.450 6.306 0.531 1.00 52.35 H new ATOM 0 HA VAL A 42 -3.667 7.825 -0.388 1.00 21.10 H new ATOM 0 HB VAL A 42 -2.266 8.655 -1.984 1.00 54.05 H new ATOM 0 HG11 VAL A 42 -0.317 9.471 -0.527 1.00 12.40 H new ATOM 0 HG12 VAL A 42 -1.870 9.489 0.343 1.00 12.40 H new ATOM 0 HG13 VAL A 42 -0.703 8.177 0.632 1.00 12.40 H new ATOM 0 HG21 VAL A 42 0.146 8.010 -2.264 1.00 11.31 H new ATOM 0 HG22 VAL A 42 -0.152 6.590 -1.234 1.00 11.31 H new ATOM 0 HG23 VAL A 42 -0.984 6.743 -2.799 1.00 11.31 H new ATOM 617 N TYR A 43 -2.863 5.174 -2.190 1.00 10.00 N ATOM 618 CA TYR A 43 -3.334 4.218 -3.167 1.00 63.14 C ATOM 619 C TYR A 43 -4.096 3.115 -2.437 1.00 21.13 C ATOM 620 O TYR A 43 -3.858 1.923 -2.647 1.00 63.42 O ATOM 621 CB TYR A 43 -2.156 3.709 -4.015 1.00 63.23 C ATOM 622 CG TYR A 43 -2.546 3.447 -5.457 1.00 12.13 C ATOM 623 CD1 TYR A 43 -3.646 2.625 -5.785 1.00 64.55 C ATOM 624 CD2 TYR A 43 -1.828 4.082 -6.485 1.00 24.44 C ATOM 625 CE1 TYR A 43 -4.015 2.431 -7.125 1.00 65.24 C ATOM 626 CE2 TYR A 43 -2.193 3.899 -7.823 1.00 73.53 C ATOM 627 CZ TYR A 43 -3.288 3.070 -8.153 1.00 25.33 C ATOM 628 OH TYR A 43 -3.656 2.897 -9.449 1.00 12.44 O ATOM 0 H TYR A 43 -1.937 4.953 -1.824 1.00 10.00 H new ATOM 0 HA TYR A 43 -4.027 4.677 -3.872 1.00 63.14 H new ATOM 0 HB2 TYR A 43 -1.350 4.442 -3.988 1.00 63.23 H new ATOM 0 HB3 TYR A 43 -1.766 2.791 -3.575 1.00 63.23 H new ATOM 0 HD1 TYR A 43 -4.208 2.142 -4.999 1.00 64.55 H new ATOM 0 HD2 TYR A 43 -0.988 4.716 -6.240 1.00 24.44 H new ATOM 0 HE1 TYR A 43 -4.853 1.795 -7.369 1.00 65.24 H new ATOM 0 HE2 TYR A 43 -1.636 4.393 -8.606 1.00 73.53 H new ATOM 0 HH TYR A 43 -3.053 3.406 -10.031 1.00 12.44 H new ATOM 637 N SER A 44 -5.025 3.483 -1.548 1.00 10.34 N ATOM 638 CA SER A 44 -6.035 2.533 -1.113 1.00 61.43 C ATOM 639 C SER A 44 -6.766 2.060 -2.381 1.00 13.04 C ATOM 640 O SER A 44 -6.971 2.867 -3.292 1.00 62.35 O ATOM 641 CB SER A 44 -7.004 3.205 -0.140 1.00 70.15 C ATOM 642 OG SER A 44 -6.348 3.601 1.047 1.00 21.23 O ATOM 0 H SER A 44 -5.093 4.410 -1.128 1.00 10.34 H new ATOM 0 HA SER A 44 -5.589 1.688 -0.589 1.00 61.43 H new ATOM 0 HB2 SER A 44 -7.455 4.075 -0.616 1.00 70.15 H new ATOM 0 HB3 SER A 44 -7.815 2.518 0.102 1.00 70.15 H new ATOM 0 HG SER A 44 -5.974 4.499 0.930 1.00 21.23 H new ATOM 647 N PRO A 45 -7.178 0.788 -2.458 1.00 53.15 N ATOM 648 CA PRO A 45 -7.702 0.219 -3.699 1.00 44.43 C ATOM 649 C PRO A 45 -9.130 0.674 -3.996 1.00 63.54 C ATOM 650 O PRO A 45 -9.594 0.548 -5.135 1.00 22.32 O ATOM 651 CB PRO A 45 -7.671 -1.290 -3.465 1.00 12.13 C ATOM 652 CG PRO A 45 -7.793 -1.446 -1.948 1.00 50.11 C ATOM 653 CD PRO A 45 -7.075 -0.214 -1.409 1.00 52.45 C ATOM 0 HA PRO A 45 -7.111 0.539 -4.557 1.00 44.43 H new ATOM 0 HB2 PRO A 45 -8.491 -1.789 -3.982 1.00 12.13 H new ATOM 0 HB3 PRO A 45 -6.745 -1.730 -3.836 1.00 12.13 H new ATOM 0 HG2 PRO A 45 -8.835 -1.476 -1.629 1.00 50.11 H new ATOM 0 HG3 PRO A 45 -7.327 -2.368 -1.600 1.00 50.11 H new ATOM 0 HD2 PRO A 45 -7.536 0.136 -0.486 1.00 52.45 H new ATOM 0 HD3 PRO A 45 -6.033 -0.436 -1.180 1.00 52.45 H new ATOM 658 N SER A 46 -9.832 1.136 -2.961 1.00 71.32 N ATOM 659 CA SER A 46 -11.269 1.309 -2.973 1.00 22.44 C ATOM 660 C SER A 46 -11.621 2.465 -2.036 1.00 72.15 C ATOM 661 O SER A 46 -12.191 2.261 -0.957 1.00 64.25 O ATOM 662 CB SER A 46 -11.936 -0.012 -2.561 1.00 74.21 C ATOM 663 OG SER A 46 -11.459 -1.114 -3.318 1.00 1.21 O ATOM 0 H SER A 46 -9.400 1.404 -2.076 1.00 71.32 H new ATOM 0 HA SER A 46 -11.637 1.559 -3.968 1.00 22.44 H new ATOM 0 HB2 SER A 46 -11.753 -0.195 -1.502 1.00 74.21 H new ATOM 0 HB3 SER A 46 -13.015 0.073 -2.688 1.00 74.21 H new ATOM 0 HG SER A 46 -11.908 -1.933 -3.022 1.00 1.21 H new ATOM 777 N VAL A 56 -8.355 8.605 -5.900 1.00 45.33 N ATOM 778 CA VAL A 56 -8.241 9.980 -5.419 1.00 44.11 C ATOM 779 C VAL A 56 -6.780 10.455 -5.409 1.00 73.12 C ATOM 780 O VAL A 56 -5.860 9.668 -5.669 1.00 1.43 O ATOM 781 CB VAL A 56 -8.897 10.090 -4.024 1.00 65.42 C ATOM 782 CG1 VAL A 56 -10.304 9.491 -4.012 1.00 2.11 C ATOM 783 CG2 VAL A 56 -8.075 9.391 -2.942 1.00 64.51 C ATOM 0 HA VAL A 56 -8.771 10.642 -6.104 1.00 44.11 H new ATOM 0 HB VAL A 56 -8.946 11.157 -3.807 1.00 65.42 H new ATOM 0 HG11 VAL A 56 -10.732 9.587 -3.014 1.00 2.11 H new ATOM 0 HG12 VAL A 56 -10.931 10.021 -4.729 1.00 2.11 H new ATOM 0 HG13 VAL A 56 -10.253 8.437 -4.285 1.00 2.11 H new ATOM 0 HG21 VAL A 56 -8.576 9.496 -1.980 1.00 64.51 H new ATOM 0 HG22 VAL A 56 -7.976 8.333 -3.187 1.00 64.51 H new ATOM 0 HG23 VAL A 56 -7.085 9.845 -2.887 1.00 64.51 H new ATOM 793 N LEU A 57 -6.559 11.721 -5.050 1.00 74.31 N ATOM 794 CA LEU A 57 -5.284 12.228 -4.557 1.00 71.34 C ATOM 795 C LEU A 57 -5.339 12.220 -3.027 1.00 73.43 C ATOM 796 O LEU A 57 -6.358 12.607 -2.451 1.00 44.41 O ATOM 797 CB LEU A 57 -5.068 13.661 -5.080 1.00 14.04 C ATOM 798 CG LEU A 57 -3.635 14.188 -4.844 1.00 52.00 C ATOM 799 CD1 LEU A 57 -2.663 13.587 -5.864 1.00 54.01 C ATOM 800 CD2 LEU A 57 -3.550 15.717 -4.936 1.00 30.24 C ATOM 0 H LEU A 57 -7.283 12.438 -5.097 1.00 74.31 H new ATOM 0 HA LEU A 57 -4.457 11.608 -4.903 1.00 71.34 H new ATOM 0 HB2 LEU A 57 -5.286 13.687 -6.148 1.00 14.04 H new ATOM 0 HB3 LEU A 57 -5.778 14.329 -4.593 1.00 14.04 H new ATOM 0 HG LEU A 57 -3.362 13.885 -3.833 1.00 52.00 H new ATOM 0 HD11 LEU A 57 -1.660 13.971 -5.680 1.00 54.01 H new ATOM 0 HD12 LEU A 57 -2.659 12.501 -5.767 1.00 54.01 H new ATOM 0 HD13 LEU A 57 -2.977 13.860 -6.871 1.00 54.01 H new ATOM 0 HD21 LEU A 57 -2.522 16.035 -4.762 1.00 30.24 H new ATOM 0 HD22 LEU A 57 -3.867 16.040 -5.927 1.00 30.24 H new ATOM 0 HD23 LEU A 57 -4.200 16.163 -4.184 1.00 30.24 H new ATOM 811 N VAL A 58 -4.246 11.824 -2.374 1.00 34.34 N ATOM 812 CA VAL A 58 -3.984 12.044 -0.950 1.00 73.11 C ATOM 813 C VAL A 58 -2.522 12.495 -0.859 1.00 44.23 C ATOM 814 O VAL A 58 -1.735 12.233 -1.779 1.00 41.20 O ATOM 815 CB VAL A 58 -4.255 10.760 -0.130 1.00 71.42 C ATOM 816 CG1 VAL A 58 -4.059 10.939 1.385 1.00 54.34 C ATOM 817 CG2 VAL A 58 -5.656 10.188 -0.346 1.00 25.30 C ATOM 0 H VAL A 58 -3.490 11.322 -2.839 1.00 34.34 H new ATOM 0 HA VAL A 58 -4.646 12.800 -0.528 1.00 73.11 H new ATOM 0 HB VAL A 58 -3.508 10.064 -0.512 1.00 71.42 H new ATOM 0 HG11 VAL A 58 -4.267 9.997 1.893 1.00 54.34 H new ATOM 0 HG12 VAL A 58 -3.031 11.240 1.586 1.00 54.34 H new ATOM 0 HG13 VAL A 58 -4.740 11.707 1.752 1.00 54.34 H new ATOM 0 HG21 VAL A 58 -5.779 9.289 0.258 1.00 25.30 H new ATOM 0 HG22 VAL A 58 -6.400 10.928 -0.052 1.00 25.30 H new ATOM 0 HG23 VAL A 58 -5.789 9.939 -1.399 1.00 25.30 H new ATOM 827 N THR A 59 -2.152 13.189 0.214 1.00 65.30 N ATOM 828 CA THR A 59 -0.799 13.701 0.423 1.00 42.30 C ATOM 829 C THR A 59 0.109 12.651 1.069 1.00 12.33 C ATOM 830 O THR A 59 -0.313 11.518 1.314 1.00 70.32 O ATOM 831 CB THR A 59 -0.865 15.020 1.212 1.00 24.43 C ATOM 832 OG1 THR A 59 -1.631 14.939 2.396 1.00 64.40 O ATOM 833 CG2 THR A 59 -1.459 16.090 0.296 1.00 54.00 C ATOM 0 H THR A 59 -2.793 13.415 0.975 1.00 65.30 H new ATOM 0 HA THR A 59 -0.341 13.919 -0.542 1.00 42.30 H new ATOM 0 HB THR A 59 0.150 15.265 1.525 1.00 24.43 H new ATOM 0 HG1 THR A 59 -1.101 15.270 3.151 1.00 64.40 H new ATOM 0 HG21 THR A 59 -1.517 17.037 0.833 1.00 54.00 H new ATOM 0 HG22 THR A 59 -0.826 16.209 -0.583 1.00 54.00 H new ATOM 0 HG23 THR A 59 -2.459 15.788 -0.016 1.00 54.00 H new ATOM 841 N HIS A 60 1.372 13.017 1.318 1.00 45.31 N ATOM 842 CA HIS A 60 2.288 12.170 2.077 1.00 63.43 C ATOM 843 C HIS A 60 1.714 11.896 3.474 1.00 12.11 C ATOM 844 O HIS A 60 0.795 12.590 3.923 1.00 70.31 O ATOM 845 CB HIS A 60 3.686 12.791 2.177 1.00 63.22 C ATOM 846 CG HIS A 60 4.281 13.267 0.873 1.00 22.51 C ATOM 847 ND1 HIS A 60 4.239 12.643 -0.351 1.00 62.52 N ATOM 848 CD2 HIS A 60 4.900 14.469 0.695 1.00 54.14 C ATOM 849 CE1 HIS A 60 4.812 13.471 -1.241 1.00 44.30 C ATOM 850 NE2 HIS A 60 5.242 14.603 -0.653 1.00 42.00 N ATOM 0 H HIS A 60 1.780 13.897 1.002 1.00 45.31 H new ATOM 0 HA HIS A 60 2.393 11.225 1.543 1.00 63.43 H new ATOM 0 HB2 HIS A 60 3.641 13.635 2.865 1.00 63.22 H new ATOM 0 HB3 HIS A 60 4.360 12.056 2.617 1.00 63.22 H new ATOM 0 HD1 HIS A 60 3.846 11.722 -0.547 1.00 62.52 H new ATOM 0 HD2 HIS A 60 5.094 15.197 1.469 1.00 54.14 H new ATOM 0 HE1 HIS A 60 4.914 13.256 -2.294 1.00 44.30 H new ATOM 857 N LYS A 61 2.295 10.961 4.225 1.00 25.45 N ATOM 858 CA LYS A 61 1.882 10.689 5.604 1.00 65.30 C ATOM 859 C LYS A 61 3.150 10.684 6.438 1.00 42.03 C ATOM 860 O LYS A 61 4.104 9.981 6.128 1.00 61.53 O ATOM 861 CB LYS A 61 1.149 9.338 5.689 1.00 42.44 C ATOM 862 CG LYS A 61 -0.014 9.087 4.705 1.00 30.53 C ATOM 863 CD LYS A 61 -1.239 10.007 4.824 1.00 21.44 C ATOM 864 CE LYS A 61 -1.852 9.990 6.229 1.00 71.40 C ATOM 865 NZ LYS A 61 -3.296 9.673 6.224 1.00 12.45 N ATOM 0 H LYS A 61 3.061 10.373 3.898 1.00 25.45 H new ATOM 0 HA LYS A 61 1.186 11.444 5.969 1.00 65.30 H new ATOM 0 HB2 LYS A 61 1.886 8.548 5.545 1.00 42.44 H new ATOM 0 HB3 LYS A 61 0.760 9.231 6.702 1.00 42.44 H new ATOM 0 HG2 LYS A 61 0.376 9.172 3.691 1.00 30.53 H new ATOM 0 HG3 LYS A 61 -0.350 8.058 4.833 1.00 30.53 H new ATOM 0 HD2 LYS A 61 -0.950 11.027 4.570 1.00 21.44 H new ATOM 0 HD3 LYS A 61 -1.992 9.699 4.099 1.00 21.44 H new ATOM 0 HE2 LYS A 61 -1.326 9.256 6.840 1.00 71.40 H new ATOM 0 HE3 LYS A 61 -1.700 10.962 6.698 1.00 71.40 H new ATOM 0 HZ1 LYS A 61 -3.529 9.100 7.060 1.00 12.45 H new ATOM 0 HZ2 LYS A 61 -3.845 10.556 6.246 1.00 12.45 H new ATOM 0 HZ3 LYS A 61 -3.531 9.140 5.363 1.00 12.45 H new ATOM 875 N LYS A 62 3.129 11.481 7.503 1.00 74.24 N ATOM 876 CA LYS A 62 4.250 11.788 8.385 1.00 43.22 C ATOM 877 C LYS A 62 5.073 10.561 8.788 1.00 43.10 C ATOM 878 O LYS A 62 6.303 10.603 8.750 1.00 25.33 O ATOM 879 CB LYS A 62 3.783 12.602 9.610 1.00 50.12 C ATOM 880 CG LYS A 62 2.396 12.199 10.131 1.00 45.44 C ATOM 881 CD LYS A 62 1.269 13.038 9.505 1.00 4.44 C ATOM 882 CE LYS A 62 -0.010 12.222 9.318 1.00 73.50 C ATOM 883 NZ LYS A 62 -0.491 11.669 10.611 1.00 52.22 N ATOM 0 H LYS A 62 2.275 11.959 7.790 1.00 74.24 H new ATOM 0 HA LYS A 62 4.934 12.408 7.805 1.00 43.22 H new ATOM 0 HB2 LYS A 62 4.511 12.483 10.413 1.00 50.12 H new ATOM 0 HB3 LYS A 62 3.769 13.660 9.347 1.00 50.12 H new ATOM 0 HG2 LYS A 62 2.222 11.144 9.917 1.00 45.44 H new ATOM 0 HG3 LYS A 62 2.371 12.312 11.215 1.00 45.44 H new ATOM 0 HD2 LYS A 62 1.061 13.899 10.140 1.00 4.44 H new ATOM 0 HD3 LYS A 62 1.597 13.425 8.540 1.00 4.44 H new ATOM 0 HE2 LYS A 62 -0.784 12.851 8.878 1.00 73.50 H new ATOM 0 HE3 LYS A 62 0.175 11.407 8.618 1.00 73.50 H new ATOM 0 HZ1 LYS A 62 -1.420 11.222 10.473 1.00 52.22 H new ATOM 0 HZ2 LYS A 62 0.186 10.961 10.959 1.00 52.22 H new ATOM 0 HZ3 LYS A 62 -0.576 12.437 11.307 1.00 52.22 H new ATOM 893 N ASN A 63 4.431 9.535 9.344 1.00 54.40 N ATOM 894 CA ASN A 63 5.015 8.275 9.780 1.00 62.21 C ATOM 895 C ASN A 63 3.869 7.412 10.301 1.00 62.52 C ATOM 896 O ASN A 63 3.626 7.361 11.506 1.00 3.41 O ATOM 897 CB ASN A 63 6.120 8.440 10.850 1.00 41.13 C ATOM 898 CG ASN A 63 5.906 9.551 11.879 1.00 13.12 C ATOM 899 OD1 ASN A 63 5.416 9.343 12.980 1.00 3.01 O ATOM 900 ND2 ASN A 63 6.311 10.770 11.547 1.00 4.31 N ATOM 0 H ASN A 63 3.425 9.567 9.511 1.00 54.40 H new ATOM 0 HA ASN A 63 5.519 7.806 8.935 1.00 62.21 H new ATOM 0 HB2 ASN A 63 6.224 7.495 11.383 1.00 41.13 H new ATOM 0 HB3 ASN A 63 7.066 8.624 10.340 1.00 41.13 H new ATOM 0 HD21 ASN A 63 6.214 11.538 12.211 1.00 4.31 H new ATOM 0 HD22 ASN A 63 6.719 10.939 10.628 1.00 4.31 H new ATOM 906 N VAL A 64 3.123 6.755 9.410 1.00 10.43 N ATOM 907 CA VAL A 64 2.093 5.811 9.851 1.00 30.40 C ATOM 908 C VAL A 64 2.795 4.556 10.383 1.00 65.34 C ATOM 909 O VAL A 64 3.863 4.188 9.882 1.00 25.51 O ATOM 910 CB VAL A 64 1.087 5.464 8.726 1.00 51.13 C ATOM 911 CG1 VAL A 64 -0.245 5.004 9.340 1.00 61.31 C ATOM 912 CG2 VAL A 64 0.789 6.646 7.792 1.00 64.31 C ATOM 0 H VAL A 64 3.209 6.855 8.399 1.00 10.43 H new ATOM 0 HA VAL A 64 1.500 6.273 10.640 1.00 30.40 H new ATOM 0 HB VAL A 64 1.554 4.674 8.137 1.00 51.13 H new ATOM 0 HG11 VAL A 64 -0.948 4.761 8.543 1.00 61.31 H new ATOM 0 HG12 VAL A 64 -0.076 4.121 9.956 1.00 61.31 H new ATOM 0 HG13 VAL A 64 -0.657 5.803 9.957 1.00 61.31 H new ATOM 0 HG21 VAL A 64 0.078 6.335 7.027 1.00 64.31 H new ATOM 0 HG22 VAL A 64 0.365 7.468 8.369 1.00 64.31 H new ATOM 0 HG23 VAL A 64 1.713 6.975 7.316 1.00 64.31 H new ATOM 922 N ASN A 65 2.192 3.840 11.335 1.00 74.22 N ATOM 923 CA ASN A 65 2.568 2.464 11.663 1.00 73.35 C ATOM 924 C ASN A 65 1.345 1.567 11.506 1.00 61.43 C ATOM 925 O ASN A 65 0.207 2.006 11.693 1.00 64.54 O ATOM 926 CB ASN A 65 3.212 2.345 13.056 1.00 74.53 C ATOM 927 CG ASN A 65 4.668 2.808 13.105 1.00 1.13 C ATOM 928 OD1 ASN A 65 5.091 3.453 14.060 1.00 32.54 O ATOM 929 ND2 ASN A 65 5.496 2.446 12.135 1.00 34.42 N ATOM 0 H ASN A 65 1.425 4.201 11.903 1.00 74.22 H new ATOM 0 HA ASN A 65 3.339 2.134 10.967 1.00 73.35 H new ATOM 0 HB2 ASN A 65 2.630 2.932 13.766 1.00 74.53 H new ATOM 0 HB3 ASN A 65 3.160 1.306 13.382 1.00 74.53 H new ATOM 0 HD21 ASN A 65 6.482 2.703 12.183 1.00 34.42 H new ATOM 0 HD22 ASN A 65 5.147 1.910 11.340 1.00 34.42 H new ATOM 935 N ILE A 66 1.580 0.323 11.073 1.00 24.52 N ATOM 936 CA ILE A 66 0.555 -0.714 11.026 1.00 72.25 C ATOM 937 C ILE A 66 0.459 -1.257 12.438 1.00 45.43 C ATOM 938 O ILE A 66 1.468 -1.661 13.024 1.00 34.53 O ATOM 939 CB ILE A 66 0.868 -1.834 10.003 1.00 22.30 C ATOM 940 CG1 ILE A 66 0.805 -1.249 8.573 1.00 5.31 C ATOM 941 CG2 ILE A 66 -0.058 -3.058 10.154 1.00 64.54 C ATOM 942 CD1 ILE A 66 0.560 -2.227 7.419 1.00 12.32 C ATOM 0 H ILE A 66 2.494 0.010 10.744 1.00 24.52 H new ATOM 0 HA ILE A 66 -0.392 -0.297 10.685 1.00 72.25 H new ATOM 0 HB ILE A 66 1.875 -2.201 10.202 1.00 22.30 H new ATOM 0 HG12 ILE A 66 0.015 -0.498 8.551 1.00 5.31 H new ATOM 0 HG13 ILE A 66 1.744 -0.730 8.380 1.00 5.31 H new ATOM 0 HG21 ILE A 66 0.208 -3.810 9.411 1.00 64.54 H new ATOM 0 HG22 ILE A 66 0.055 -3.479 11.153 1.00 64.54 H new ATOM 0 HG23 ILE A 66 -1.093 -2.752 10.005 1.00 64.54 H new ATOM 0 HD11 ILE A 66 0.540 -1.680 6.476 1.00 12.32 H new ATOM 0 HD12 ILE A 66 1.360 -2.966 7.393 1.00 12.32 H new ATOM 0 HD13 ILE A 66 -0.395 -2.731 7.566 1.00 12.32 H new ATOM 953 N ASN A 67 -0.764 -1.290 12.935 1.00 4.01 N ATOM 954 CA ASN A 67 -1.138 -1.890 14.200 1.00 12.31 C ATOM 955 C ASN A 67 -1.241 -3.400 14.038 1.00 71.52 C ATOM 956 O ASN A 67 -0.639 -4.160 14.802 1.00 64.31 O ATOM 957 CB ASN A 67 -2.476 -1.284 14.674 1.00 5.10 C ATOM 958 CG ASN A 67 -2.218 -0.051 15.534 1.00 30.32 C ATOM 959 OD1 ASN A 67 -1.445 -0.132 16.486 1.00 31.24 O ATOM 960 ND2 ASN A 67 -2.720 1.121 15.190 1.00 31.12 N ATOM 0 H ASN A 67 -1.559 -0.880 12.444 1.00 4.01 H new ATOM 0 HA ASN A 67 -0.379 -1.682 14.954 1.00 12.31 H new ATOM 0 HB2 ASN A 67 -3.087 -1.015 13.813 1.00 5.10 H new ATOM 0 HB3 ASN A 67 -3.037 -2.024 15.245 1.00 5.10 H new ATOM 0 HD21 ASN A 67 -2.466 1.958 15.714 1.00 31.12 H new ATOM 0 HD22 ASN A 67 -3.362 1.189 14.400 1.00 31.12 H new ATOM 966 N ALA A 68 -2.008 -3.855 13.046 1.00 23.14 N ATOM 967 CA ALA A 68 -2.387 -5.246 12.916 1.00 11.02 C ATOM 968 C ALA A 68 -2.720 -5.574 11.468 1.00 25.34 C ATOM 969 O ALA A 68 -2.856 -4.694 10.615 1.00 13.43 O ATOM 970 CB ALA A 68 -3.583 -5.530 13.836 1.00 64.35 C ATOM 0 H ALA A 68 -2.382 -3.257 12.309 1.00 23.14 H new ATOM 0 HA ALA A 68 -1.553 -5.881 13.214 1.00 11.02 H new ATOM 0 HB1 ALA A 68 -3.873 -6.576 13.743 1.00 64.35 H new ATOM 0 HB2 ALA A 68 -3.305 -5.321 14.869 1.00 64.35 H new ATOM 0 HB3 ALA A 68 -4.421 -4.894 13.550 1.00 64.35 H new ATOM 976 N ILE A 69 -2.853 -6.871 11.211 1.00 42.35 N ATOM 977 CA ILE A 69 -3.228 -7.454 9.940 1.00 1.41 C ATOM 978 C ILE A 69 -4.251 -8.520 10.284 1.00 63.15 C ATOM 979 O ILE A 69 -3.984 -9.367 11.142 1.00 12.43 O ATOM 980 CB ILE A 69 -2.004 -8.086 9.245 1.00 14.10 C ATOM 981 CG1 ILE A 69 -0.901 -7.046 8.940 1.00 61.14 C ATOM 982 CG2 ILE A 69 -2.437 -8.784 7.944 1.00 4.01 C ATOM 983 CD1 ILE A 69 0.453 -7.681 8.614 1.00 51.05 C ATOM 0 H ILE A 69 -2.692 -7.578 11.928 1.00 42.35 H new ATOM 0 HA ILE A 69 -3.625 -6.708 9.252 1.00 1.41 H new ATOM 0 HB ILE A 69 -1.583 -8.818 9.935 1.00 14.10 H new ATOM 0 HG12 ILE A 69 -1.216 -6.427 8.100 1.00 61.14 H new ATOM 0 HG13 ILE A 69 -0.787 -6.384 9.799 1.00 61.14 H new ATOM 0 HG21 ILE A 69 -1.566 -9.227 7.461 1.00 4.01 H new ATOM 0 HG22 ILE A 69 -3.161 -9.566 8.174 1.00 4.01 H new ATOM 0 HG23 ILE A 69 -2.892 -8.055 7.274 1.00 4.01 H new ATOM 0 HD11 ILE A 69 1.183 -6.897 8.410 1.00 51.05 H new ATOM 0 HD12 ILE A 69 0.789 -8.277 9.462 1.00 51.05 H new ATOM 0 HD13 ILE A 69 0.353 -8.321 7.737 1.00 51.05 H new ATOM 994 N THR A 70 -5.371 -8.530 9.577 1.00 71.55 N ATOM 995 CA THR A 70 -6.448 -9.478 9.803 1.00 35.23 C ATOM 996 C THR A 70 -6.851 -10.108 8.463 1.00 73.13 C ATOM 997 O THR A 70 -7.219 -9.386 7.546 1.00 44.04 O ATOM 998 CB THR A 70 -7.582 -8.711 10.508 1.00 73.52 C ATOM 999 OG1 THR A 70 -7.109 -8.191 11.747 1.00 75.53 O ATOM 1000 CG2 THR A 70 -8.832 -9.554 10.752 1.00 60.11 C ATOM 0 H THR A 70 -5.558 -7.871 8.821 1.00 71.55 H new ATOM 0 HA THR A 70 -6.159 -10.310 10.445 1.00 35.23 H new ATOM 0 HB THR A 70 -7.876 -7.905 9.835 1.00 73.52 H new ATOM 0 HG1 THR A 70 -7.831 -7.702 12.194 1.00 75.53 H new ATOM 0 HG21 THR A 70 -9.588 -8.948 11.252 1.00 60.11 H new ATOM 0 HG22 THR A 70 -9.224 -9.909 9.799 1.00 60.11 H new ATOM 0 HG23 THR A 70 -8.578 -10.408 11.380 1.00 60.11 H new ATOM 1008 N PRO A 71 -6.754 -11.432 8.285 1.00 33.33 N ATOM 1009 CA PRO A 71 -7.155 -12.122 7.063 1.00 64.32 C ATOM 1010 C PRO A 71 -8.665 -12.008 6.857 1.00 13.00 C ATOM 1011 O PRO A 71 -9.470 -12.034 7.795 1.00 12.20 O ATOM 1012 CB PRO A 71 -6.717 -13.577 7.280 1.00 60.22 C ATOM 1013 CG PRO A 71 -6.745 -13.742 8.797 1.00 22.21 C ATOM 1014 CD PRO A 71 -6.319 -12.376 9.291 1.00 72.42 C ATOM 0 HA PRO A 71 -6.701 -11.697 6.168 1.00 64.32 H new ATOM 0 HB2 PRO A 71 -7.394 -14.276 6.789 1.00 60.22 H new ATOM 0 HB3 PRO A 71 -5.721 -13.760 6.876 1.00 60.22 H new ATOM 0 HG2 PRO A 71 -7.738 -14.010 9.156 1.00 22.21 H new ATOM 0 HG3 PRO A 71 -6.063 -14.524 9.131 1.00 22.21 H new ATOM 0 HD2 PRO A 71 -6.772 -12.152 10.257 1.00 72.42 H new ATOM 0 HD3 PRO A 71 -5.238 -12.330 9.427 1.00 72.42 H new ATOM 1019 N VAL A 72 -9.010 -11.932 5.579 1.00 14.01 N ATOM 1020 CA VAL A 72 -10.345 -12.037 5.013 1.00 31.32 C ATOM 1021 C VAL A 72 -10.398 -13.443 4.386 1.00 12.31 C ATOM 1022 O VAL A 72 -9.554 -14.277 4.731 1.00 21.41 O ATOM 1023 CB VAL A 72 -10.620 -10.853 4.069 1.00 73.25 C ATOM 1024 CG1 VAL A 72 -12.121 -10.550 3.949 1.00 13.10 C ATOM 1025 CG2 VAL A 72 -9.915 -9.573 4.546 1.00 3.32 C ATOM 0 H VAL A 72 -8.307 -11.784 4.855 1.00 14.01 H new ATOM 0 HA VAL A 72 -11.155 -11.955 5.738 1.00 31.32 H new ATOM 0 HB VAL A 72 -10.229 -11.153 3.097 1.00 73.25 H new ATOM 0 HG11 VAL A 72 -12.269 -9.708 3.273 1.00 13.10 H new ATOM 0 HG12 VAL A 72 -12.639 -11.425 3.557 1.00 13.10 H new ATOM 0 HG13 VAL A 72 -12.522 -10.302 4.932 1.00 13.10 H new ATOM 0 HG21 VAL A 72 -10.132 -8.759 3.855 1.00 3.32 H new ATOM 0 HG22 VAL A 72 -10.273 -9.310 5.541 1.00 3.32 H new ATOM 0 HG23 VAL A 72 -8.839 -9.742 4.581 1.00 3.32 H new ATOM 1035 N GLY A 73 -11.375 -13.719 3.514 1.00 43.24 N ATOM 1036 CA GLY A 73 -11.713 -14.988 2.863 1.00 52.23 C ATOM 1037 C GLY A 73 -10.613 -15.719 2.089 1.00 72.22 C ATOM 1038 O GLY A 73 -10.822 -16.062 0.928 1.00 3.44 O ATOM 0 H GLY A 73 -12.014 -12.981 3.217 1.00 43.24 H new ATOM 0 HA2 GLY A 73 -12.088 -15.666 3.630 1.00 52.23 H new ATOM 0 HA3 GLY A 73 -12.536 -14.800 2.174 1.00 52.23 H new ATOM 1042 N ASN A 74 -9.438 -15.924 2.682 1.00 71.32 N ATOM 1043 CA ASN A 74 -8.187 -16.511 2.192 1.00 53.21 C ATOM 1044 C ASN A 74 -7.597 -15.868 0.927 1.00 72.35 C ATOM 1045 O ASN A 74 -6.429 -16.095 0.615 1.00 31.33 O ATOM 1046 CB ASN A 74 -8.309 -18.034 2.103 1.00 21.51 C ATOM 1047 CG ASN A 74 -8.780 -18.647 3.420 1.00 72.31 C ATOM 1048 OD1 ASN A 74 -9.959 -18.959 3.580 1.00 40.24 O ATOM 1049 ND2 ASN A 74 -7.911 -18.784 4.405 1.00 24.44 N ATOM 0 H ASN A 74 -9.325 -15.642 3.656 1.00 71.32 H new ATOM 0 HA ASN A 74 -7.434 -16.269 2.942 1.00 53.21 H new ATOM 0 HB2 ASN A 74 -9.009 -18.296 1.310 1.00 21.51 H new ATOM 0 HB3 ASN A 74 -7.344 -18.460 1.829 1.00 21.51 H new ATOM 0 HD21 ASN A 74 -8.216 -19.151 5.307 1.00 24.44 H new ATOM 0 HD22 ASN A 74 -6.935 -18.523 4.264 1.00 24.44 H new ATOM 1055 N TYR A 75 -8.350 -15.007 0.243 1.00 31.51 N ATOM 1056 CA TYR A 75 -7.945 -14.178 -0.885 1.00 21.42 C ATOM 1057 C TYR A 75 -7.365 -12.814 -0.480 1.00 55.15 C ATOM 1058 O TYR A 75 -6.887 -12.085 -1.354 1.00 63.32 O ATOM 1059 CB TYR A 75 -9.138 -13.996 -1.839 1.00 75.44 C ATOM 1060 CG TYR A 75 -10.275 -13.054 -1.448 1.00 54.25 C ATOM 1061 CD1 TYR A 75 -10.755 -12.949 -0.126 1.00 53.35 C ATOM 1062 CD2 TYR A 75 -10.930 -12.335 -2.466 1.00 2.12 C ATOM 1063 CE1 TYR A 75 -11.899 -12.191 0.169 1.00 63.23 C ATOM 1064 CE2 TYR A 75 -12.057 -11.549 -2.178 1.00 32.40 C ATOM 1065 CZ TYR A 75 -12.564 -11.492 -0.863 1.00 74.33 C ATOM 1066 OH TYR A 75 -13.679 -10.750 -0.625 1.00 64.51 O ATOM 0 H TYR A 75 -9.331 -14.862 0.483 1.00 31.51 H new ATOM 0 HA TYR A 75 -7.132 -14.703 -1.387 1.00 21.42 H new ATOM 0 HB2 TYR A 75 -8.743 -13.652 -2.795 1.00 75.44 H new ATOM 0 HB3 TYR A 75 -9.573 -14.981 -2.010 1.00 75.44 H new ATOM 0 HD1 TYR A 75 -10.235 -13.459 0.671 1.00 53.35 H new ATOM 0 HD2 TYR A 75 -10.561 -12.389 -3.480 1.00 2.12 H new ATOM 0 HE1 TYR A 75 -12.270 -12.142 1.182 1.00 63.23 H new ATOM 0 HE2 TYR A 75 -12.537 -10.987 -2.965 1.00 32.40 H new ATOM 0 HH TYR A 75 -13.988 -10.346 -1.463 1.00 64.51 H new ATOM 1075 N ALA A 76 -7.426 -12.434 0.809 1.00 42.03 N ATOM 1076 CA ALA A 76 -7.009 -11.106 1.257 1.00 35.24 C ATOM 1077 C ALA A 76 -6.630 -11.036 2.729 1.00 43.24 C ATOM 1078 O ALA A 76 -6.931 -11.951 3.506 1.00 13.13 O ATOM 1079 CB ALA A 76 -8.151 -10.108 0.992 1.00 21.30 C ATOM 0 H ALA A 76 -7.764 -13.038 1.559 1.00 42.03 H new ATOM 0 HA ALA A 76 -6.110 -10.859 0.692 1.00 35.24 H new ATOM 0 HB1 ALA A 76 -7.850 -9.114 1.323 1.00 21.30 H new ATOM 0 HB2 ALA A 76 -8.373 -10.084 -0.075 1.00 21.30 H new ATOM 0 HB3 ALA A 76 -9.040 -10.419 1.540 1.00 21.30 H new ATOM 1085 N VAL A 77 -6.046 -9.895 3.102 1.00 51.32 N ATOM 1086 CA VAL A 77 -5.986 -9.369 4.461 1.00 73.54 C ATOM 1087 C VAL A 77 -6.682 -8.007 4.525 1.00 74.52 C ATOM 1088 O VAL A 77 -7.125 -7.464 3.518 1.00 34.54 O ATOM 1089 CB VAL A 77 -4.544 -9.304 5.015 1.00 60.35 C ATOM 1090 CG1 VAL A 77 -3.870 -10.676 5.071 1.00 34.21 C ATOM 1091 CG2 VAL A 77 -3.635 -8.333 4.242 1.00 2.41 C ATOM 0 H VAL A 77 -5.581 -9.286 2.429 1.00 51.32 H new ATOM 0 HA VAL A 77 -6.519 -10.065 5.109 1.00 73.54 H new ATOM 0 HB VAL A 77 -4.666 -8.925 6.030 1.00 60.35 H new ATOM 0 HG11 VAL A 77 -2.860 -10.569 5.468 1.00 34.21 H new ATOM 0 HG12 VAL A 77 -4.446 -11.338 5.717 1.00 34.21 H new ATOM 0 HG13 VAL A 77 -3.823 -11.099 4.068 1.00 34.21 H new ATOM 0 HG21 VAL A 77 -2.639 -8.337 4.684 1.00 2.41 H new ATOM 0 HG22 VAL A 77 -3.571 -8.646 3.200 1.00 2.41 H new ATOM 0 HG23 VAL A 77 -4.050 -7.327 4.293 1.00 2.41 H new ATOM 1101 N LYS A 78 -6.769 -7.467 5.725 1.00 44.35 N ATOM 1102 CA LYS A 78 -7.192 -6.155 6.150 1.00 12.31 C ATOM 1103 C LYS A 78 -5.972 -5.610 6.867 1.00 1.30 C ATOM 1104 O LYS A 78 -5.355 -6.362 7.628 1.00 14.03 O ATOM 1105 CB LYS A 78 -8.363 -6.333 7.138 1.00 12.03 C ATOM 1106 CG LYS A 78 -9.539 -5.432 6.773 1.00 23.43 C ATOM 1107 CD LYS A 78 -10.854 -5.812 7.474 1.00 2.11 C ATOM 1108 CE LYS A 78 -11.336 -7.208 7.071 1.00 0.03 C ATOM 1109 NZ LYS A 78 -12.806 -7.328 6.989 1.00 33.14 N ATOM 0 H LYS A 78 -6.505 -8.024 6.537 1.00 44.35 H new ATOM 0 HA LYS A 78 -7.525 -5.500 5.345 1.00 12.31 H new ATOM 0 HB2 LYS A 78 -8.686 -7.374 7.138 1.00 12.03 H new ATOM 0 HB3 LYS A 78 -8.027 -6.103 8.149 1.00 12.03 H new ATOM 0 HG2 LYS A 78 -9.288 -4.402 7.026 1.00 23.43 H new ATOM 0 HG3 LYS A 78 -9.690 -5.467 5.694 1.00 23.43 H new ATOM 0 HD2 LYS A 78 -10.713 -5.775 8.554 1.00 2.11 H new ATOM 0 HD3 LYS A 78 -11.621 -5.078 7.227 1.00 2.11 H new ATOM 0 HE2 LYS A 78 -10.905 -7.466 6.104 1.00 0.03 H new ATOM 0 HE3 LYS A 78 -10.961 -7.934 7.792 1.00 0.03 H new ATOM 0 HZ1 LYS A 78 -13.060 -8.298 6.712 1.00 33.14 H new ATOM 0 HZ2 LYS A 78 -13.224 -7.112 7.916 1.00 33.14 H new ATOM 0 HZ3 LYS A 78 -13.170 -6.659 6.281 1.00 33.14 H new ATOM 1119 N LEU A 79 -5.603 -4.361 6.615 1.00 70.23 N ATOM 1120 CA LEU A 79 -4.552 -3.700 7.372 1.00 64.23 C ATOM 1121 C LEU A 79 -5.235 -2.799 8.392 1.00 25.34 C ATOM 1122 O LEU A 79 -6.393 -2.411 8.209 1.00 22.33 O ATOM 1123 CB LEU A 79 -3.620 -2.916 6.430 1.00 42.05 C ATOM 1124 CG LEU A 79 -2.952 -3.786 5.342 1.00 42.04 C ATOM 1125 CD1 LEU A 79 -2.037 -2.928 4.467 1.00 50.21 C ATOM 1126 CD2 LEU A 79 -2.136 -4.955 5.907 1.00 2.02 C ATOM 0 H LEU A 79 -6.021 -3.783 5.886 1.00 70.23 H new ATOM 0 HA LEU A 79 -3.920 -4.422 7.889 1.00 64.23 H new ATOM 0 HB2 LEU A 79 -4.191 -2.123 5.947 1.00 42.05 H new ATOM 0 HB3 LEU A 79 -2.843 -2.433 7.023 1.00 42.05 H new ATOM 0 HG LEU A 79 -3.768 -4.209 4.757 1.00 42.04 H new ATOM 0 HD11 LEU A 79 -1.572 -3.553 3.704 1.00 50.21 H new ATOM 0 HD12 LEU A 79 -2.623 -2.144 3.987 1.00 50.21 H new ATOM 0 HD13 LEU A 79 -1.263 -2.474 5.086 1.00 50.21 H new ATOM 0 HD21 LEU A 79 -1.696 -5.522 5.086 1.00 2.02 H new ATOM 0 HD22 LEU A 79 -1.343 -4.569 6.547 1.00 2.02 H new ATOM 0 HD23 LEU A 79 -2.788 -5.606 6.489 1.00 2.02 H new ATOM 1137 N VAL A 80 -4.519 -2.490 9.465 1.00 44.24 N ATOM 1138 CA VAL A 80 -4.970 -1.616 10.537 1.00 10.13 C ATOM 1139 C VAL A 80 -3.869 -0.589 10.757 1.00 43.01 C ATOM 1140 O VAL A 80 -2.703 -0.974 10.876 1.00 70.33 O ATOM 1141 CB VAL A 80 -5.257 -2.444 11.806 1.00 43.15 C ATOM 1142 CG1 VAL A 80 -5.980 -1.623 12.870 1.00 53.14 C ATOM 1143 CG2 VAL A 80 -6.144 -3.659 11.515 1.00 51.15 C ATOM 0 H VAL A 80 -3.578 -2.853 9.617 1.00 44.24 H new ATOM 0 HA VAL A 80 -5.901 -1.108 10.284 1.00 10.13 H new ATOM 0 HB VAL A 80 -4.278 -2.763 12.163 1.00 43.15 H new ATOM 0 HG11 VAL A 80 -6.163 -2.244 13.747 1.00 53.14 H new ATOM 0 HG12 VAL A 80 -5.364 -0.769 13.152 1.00 53.14 H new ATOM 0 HG13 VAL A 80 -6.931 -1.268 12.472 1.00 53.14 H new ATOM 0 HG21 VAL A 80 -6.319 -4.211 12.438 1.00 51.15 H new ATOM 0 HG22 VAL A 80 -7.097 -3.324 11.107 1.00 51.15 H new ATOM 0 HG23 VAL A 80 -5.648 -4.307 10.793 1.00 51.15 H new ATOM 1153 N PHE A 81 -4.208 0.698 10.793 1.00 61.12 N ATOM 1154 CA PHE A 81 -3.230 1.782 10.814 1.00 43.04 C ATOM 1155 C PHE A 81 -3.470 2.684 12.013 1.00 10.31 C ATOM 1156 O PHE A 81 -4.620 2.913 12.387 1.00 2.30 O ATOM 1157 CB PHE A 81 -3.356 2.619 9.534 1.00 5.14 C ATOM 1158 CG PHE A 81 -3.019 1.895 8.247 1.00 23.11 C ATOM 1159 CD1 PHE A 81 -1.675 1.712 7.869 1.00 45.05 C ATOM 1160 CD2 PHE A 81 -4.049 1.443 7.402 1.00 24.51 C ATOM 1161 CE1 PHE A 81 -1.361 1.120 6.632 1.00 73.33 C ATOM 1162 CE2 PHE A 81 -3.735 0.851 6.168 1.00 24.21 C ATOM 1163 CZ PHE A 81 -2.395 0.707 5.773 1.00 21.12 C ATOM 0 H PHE A 81 -5.176 1.019 10.809 1.00 61.12 H new ATOM 0 HA PHE A 81 -2.233 1.347 10.879 1.00 43.04 H new ATOM 0 HB2 PHE A 81 -4.378 2.992 9.464 1.00 5.14 H new ATOM 0 HB3 PHE A 81 -2.704 3.488 9.623 1.00 5.14 H new ATOM 0 HD1 PHE A 81 -0.882 2.027 8.531 1.00 45.05 H new ATOM 0 HD2 PHE A 81 -5.081 1.551 7.702 1.00 24.51 H new ATOM 0 HE1 PHE A 81 -0.329 0.983 6.343 1.00 73.33 H new ATOM 0 HE2 PHE A 81 -4.527 0.505 5.520 1.00 24.21 H new ATOM 0 HZ PHE A 81 -2.159 0.279 4.810 1.00 21.12 H new ATOM 1172 N ASP A 82 -2.409 3.292 12.545 1.00 64.45 N ATOM 1173 CA ASP A 82 -2.514 4.303 13.604 1.00 42.25 C ATOM 1174 C ASP A 82 -3.279 5.543 13.140 1.00 41.12 C ATOM 1175 O ASP A 82 -3.802 6.292 13.968 1.00 42.02 O ATOM 1176 CB ASP A 82 -1.124 4.753 14.080 1.00 24.32 C ATOM 1177 CG ASP A 82 -0.554 3.878 15.183 1.00 45.04 C ATOM 1178 OD1 ASP A 82 -1.300 3.394 16.061 1.00 1.32 O ATOM 1179 OD2 ASP A 82 0.676 3.670 15.201 1.00 3.00 O ATOM 0 H ASP A 82 -1.450 3.099 12.255 1.00 64.45 H new ATOM 0 HA ASP A 82 -3.058 3.829 14.421 1.00 42.25 H new ATOM 0 HB2 ASP A 82 -0.439 4.750 13.232 1.00 24.32 H new ATOM 0 HB3 ASP A 82 -1.185 5.781 14.436 1.00 24.32 H new ATOM 1183 N ASP A 83 -3.375 5.762 11.822 1.00 23.53 N ATOM 1184 CA ASP A 83 -4.176 6.843 11.246 1.00 61.55 C ATOM 1185 C ASP A 83 -5.675 6.599 11.428 1.00 23.41 C ATOM 1186 O ASP A 83 -6.474 7.502 11.199 1.00 50.04 O ATOM 1187 CB ASP A 83 -3.847 7.041 9.763 1.00 63.51 C ATOM 1188 CG ASP A 83 -4.276 8.428 9.274 1.00 32.53 C ATOM 1189 OD1 ASP A 83 -3.854 9.433 9.900 1.00 72.54 O ATOM 1190 OD2 ASP A 83 -4.837 8.534 8.161 1.00 70.45 O ATOM 0 H ASP A 83 -2.897 5.191 11.125 1.00 23.53 H new ATOM 0 HA ASP A 83 -3.918 7.754 11.786 1.00 61.55 H new ATOM 0 HB2 ASP A 83 -2.776 6.914 9.607 1.00 63.51 H new ATOM 0 HB3 ASP A 83 -4.348 6.274 9.172 1.00 63.51 H new ATOM 1194 N GLY A 84 -6.069 5.396 11.861 1.00 33.33 N ATOM 1195 CA GLY A 84 -7.410 5.093 12.315 1.00 62.55 C ATOM 1196 C GLY A 84 -8.370 5.030 11.140 1.00 13.34 C ATOM 1197 O GLY A 84 -9.416 5.685 11.181 1.00 43.11 O ATOM 0 H GLY A 84 -5.440 4.594 11.902 1.00 33.33 H new ATOM 0 HA2 GLY A 84 -7.414 4.141 12.846 1.00 62.55 H new ATOM 0 HA3 GLY A 84 -7.741 5.854 13.022 1.00 62.55 H new ATOM 1201 N HIS A 85 -8.006 4.323 10.068 1.00 3.20 N ATOM 1202 CA HIS A 85 -8.927 3.996 8.996 1.00 2.32 C ATOM 1203 C HIS A 85 -8.476 2.666 8.389 1.00 30.22 C ATOM 1204 O HIS A 85 -7.532 2.601 7.595 1.00 62.31 O ATOM 1205 CB HIS A 85 -9.036 5.153 7.985 1.00 1.04 C ATOM 1206 CG HIS A 85 -10.444 5.610 7.674 1.00 33.23 C ATOM 1207 ND1 HIS A 85 -10.842 6.185 6.488 1.00 10.12 N ATOM 1208 CD2 HIS A 85 -11.527 5.624 8.519 1.00 4.43 C ATOM 1209 CE1 HIS A 85 -12.137 6.519 6.605 1.00 5.02 C ATOM 1210 NE2 HIS A 85 -12.593 6.212 7.833 1.00 52.23 N ATOM 0 H HIS A 85 -7.062 3.964 9.926 1.00 3.20 H new ATOM 0 HA HIS A 85 -9.944 3.869 9.368 1.00 2.32 H new ATOM 0 HB2 HIS A 85 -8.472 6.003 8.369 1.00 1.04 H new ATOM 0 HB3 HIS A 85 -8.557 4.847 7.055 1.00 1.04 H new ATOM 0 HD2 HIS A 85 -11.550 5.248 9.531 1.00 4.43 H new ATOM 0 HE1 HIS A 85 -12.730 6.971 5.823 1.00 5.02 H new ATOM 0 HE2 HIS A 85 -13.533 6.376 8.193 1.00 52.23 H new ATOM 1217 N ASP A 86 -9.104 1.590 8.853 1.00 43.24 N ATOM 1218 CA ASP A 86 -8.693 0.194 8.634 1.00 45.11 C ATOM 1219 C ASP A 86 -9.448 -0.408 7.430 1.00 3.13 C ATOM 1220 O ASP A 86 -9.424 -1.617 7.178 1.00 14.13 O ATOM 1221 CB ASP A 86 -8.915 -0.607 9.917 1.00 62.23 C ATOM 1222 CG ASP A 86 -8.370 0.112 11.143 1.00 41.25 C ATOM 1223 OD1 ASP A 86 -7.270 0.712 11.092 1.00 10.44 O ATOM 1224 OD2 ASP A 86 -9.083 0.085 12.170 1.00 3.21 O ATOM 0 H ASP A 86 -9.951 1.663 9.417 1.00 43.24 H new ATOM 0 HA ASP A 86 -7.631 0.154 8.392 1.00 45.11 H new ATOM 0 HB2 ASP A 86 -9.981 -0.791 10.049 1.00 62.23 H new ATOM 0 HB3 ASP A 86 -8.433 -1.580 9.824 1.00 62.23 H new ATOM 1228 N THR A 87 -10.159 0.442 6.689 1.00 73.11 N ATOM 1229 CA THR A 87 -11.138 0.137 5.660 1.00 63.53 C ATOM 1230 C THR A 87 -10.505 0.304 4.268 1.00 32.12 C ATOM 1231 O THR A 87 -10.595 1.372 3.649 1.00 52.21 O ATOM 1232 CB THR A 87 -12.387 0.994 5.946 1.00 74.13 C ATOM 1233 OG1 THR A 87 -12.012 2.295 6.394 1.00 10.23 O ATOM 1234 CG2 THR A 87 -13.225 0.305 7.030 1.00 14.13 C ATOM 0 H THR A 87 -10.051 1.449 6.809 1.00 73.11 H new ATOM 0 HA THR A 87 -11.465 -0.903 5.673 1.00 63.53 H new ATOM 0 HB THR A 87 -12.966 1.096 5.028 1.00 74.13 H new ATOM 0 HG1 THR A 87 -12.817 2.825 6.569 1.00 10.23 H new ATOM 0 HG21 THR A 87 -14.111 0.904 7.240 1.00 14.13 H new ATOM 0 HG22 THR A 87 -13.528 -0.683 6.683 1.00 14.13 H new ATOM 0 HG23 THR A 87 -12.632 0.204 7.939 1.00 14.13 H new ATOM 1242 N GLY A 88 -9.835 -0.753 3.794 1.00 13.21 N ATOM 1243 CA GLY A 88 -9.036 -0.798 2.576 1.00 45.44 C ATOM 1244 C GLY A 88 -9.238 -2.131 1.864 1.00 52.31 C ATOM 1245 O GLY A 88 -9.829 -2.145 0.784 1.00 73.32 O ATOM 0 H GLY A 88 -9.840 -1.648 4.283 1.00 13.21 H new ATOM 0 HA2 GLY A 88 -9.319 0.022 1.916 1.00 45.44 H new ATOM 0 HA3 GLY A 88 -7.982 -0.663 2.818 1.00 45.44 H new ATOM 1249 N LEU A 89 -8.850 -3.230 2.529 1.00 5.23 N ATOM 1250 CA LEU A 89 -8.962 -4.640 2.167 1.00 52.33 C ATOM 1251 C LEU A 89 -7.988 -4.945 1.017 1.00 63.35 C ATOM 1252 O LEU A 89 -7.968 -4.273 -0.012 1.00 50.41 O ATOM 1253 CB LEU A 89 -10.411 -4.929 1.780 1.00 73.12 C ATOM 1254 CG LEU A 89 -11.059 -6.291 2.029 1.00 53.24 C ATOM 1255 CD1 LEU A 89 -10.175 -7.461 1.632 1.00 14.10 C ATOM 1256 CD2 LEU A 89 -11.493 -6.424 3.490 1.00 52.13 C ATOM 0 H LEU A 89 -8.398 -3.133 3.438 1.00 5.23 H new ATOM 0 HA LEU A 89 -8.696 -5.284 3.006 1.00 52.33 H new ATOM 0 HB2 LEU A 89 -11.027 -4.190 2.292 1.00 73.12 H new ATOM 0 HB3 LEU A 89 -10.497 -4.731 0.712 1.00 73.12 H new ATOM 0 HG LEU A 89 -11.937 -6.332 1.384 1.00 53.24 H new ATOM 0 HD11 LEU A 89 -10.696 -8.396 1.835 1.00 14.10 H new ATOM 0 HD12 LEU A 89 -9.944 -7.398 0.569 1.00 14.10 H new ATOM 0 HD13 LEU A 89 -9.249 -7.429 2.207 1.00 14.10 H new ATOM 0 HD21 LEU A 89 -11.952 -7.400 3.646 1.00 52.13 H new ATOM 0 HD22 LEU A 89 -10.623 -6.324 4.139 1.00 52.13 H new ATOM 0 HD23 LEU A 89 -12.214 -5.642 3.728 1.00 52.13 H new ATOM 1267 N TYR A 90 -7.151 -5.957 1.201 1.00 55.04 N ATOM 1268 CA TYR A 90 -5.916 -6.161 0.465 1.00 22.21 C ATOM 1269 C TYR A 90 -5.944 -7.546 -0.148 1.00 14.41 C ATOM 1270 O TYR A 90 -5.467 -8.512 0.448 1.00 43.21 O ATOM 1271 CB TYR A 90 -4.735 -5.924 1.411 1.00 53.33 C ATOM 1272 CG TYR A 90 -4.527 -4.449 1.638 1.00 61.34 C ATOM 1273 CD1 TYR A 90 -5.271 -3.747 2.605 1.00 14.23 C ATOM 1274 CD2 TYR A 90 -3.666 -3.763 0.768 1.00 14.23 C ATOM 1275 CE1 TYR A 90 -5.169 -2.346 2.682 1.00 34.53 C ATOM 1276 CE2 TYR A 90 -3.545 -2.374 0.854 1.00 54.12 C ATOM 1277 CZ TYR A 90 -4.314 -1.662 1.795 1.00 74.11 C ATOM 1278 OH TYR A 90 -4.247 -0.312 1.816 1.00 53.22 O ATOM 0 H TYR A 90 -7.323 -6.685 1.894 1.00 55.04 H new ATOM 0 HA TYR A 90 -5.804 -5.454 -0.357 1.00 22.21 H new ATOM 0 HB2 TYR A 90 -4.919 -6.422 2.363 1.00 53.33 H new ATOM 0 HB3 TYR A 90 -3.831 -6.364 0.990 1.00 53.33 H new ATOM 0 HD1 TYR A 90 -5.918 -4.282 3.285 1.00 14.23 H new ATOM 0 HD2 TYR A 90 -3.096 -4.309 0.031 1.00 14.23 H new ATOM 0 HE1 TYR A 90 -5.742 -1.799 3.416 1.00 34.53 H new ATOM 0 HE2 TYR A 90 -2.864 -1.848 0.201 1.00 54.12 H new ATOM 0 HH TYR A 90 -3.607 -0.006 1.140 1.00 53.22 H new ATOM 1287 N SER A 91 -6.564 -7.630 -1.322 1.00 1.21 N ATOM 1288 CA SER A 91 -6.662 -8.844 -2.119 1.00 14.41 C ATOM 1289 C SER A 91 -5.341 -9.080 -2.820 1.00 75.51 C ATOM 1290 O SER A 91 -4.722 -8.115 -3.246 1.00 71.12 O ATOM 1291 CB SER A 91 -7.848 -8.755 -3.087 1.00 34.22 C ATOM 1292 OG SER A 91 -9.037 -8.357 -2.418 1.00 75.42 O ATOM 0 H SER A 91 -7.025 -6.830 -1.756 1.00 1.21 H new ATOM 0 HA SER A 91 -6.857 -9.705 -1.480 1.00 14.41 H new ATOM 0 HB2 SER A 91 -7.619 -8.043 -3.880 1.00 34.22 H new ATOM 0 HB3 SER A 91 -8.004 -9.723 -3.563 1.00 34.22 H new ATOM 0 HG SER A 91 -9.774 -8.308 -3.062 1.00 75.42 H new ATOM 1297 N TRP A 92 -4.898 -10.330 -2.952 1.00 32.21 N ATOM 1298 CA TRP A 92 -3.537 -10.671 -3.375 1.00 31.33 C ATOM 1299 C TRP A 92 -3.084 -9.958 -4.651 1.00 33.50 C ATOM 1300 O TRP A 92 -1.960 -9.458 -4.711 1.00 13.13 O ATOM 1301 CB TRP A 92 -3.426 -12.185 -3.495 1.00 64.25 C ATOM 1302 CG TRP A 92 -3.816 -12.978 -2.281 1.00 62.22 C ATOM 1303 CD1 TRP A 92 -4.455 -14.166 -2.339 1.00 55.25 C ATOM 1304 CD2 TRP A 92 -3.693 -12.664 -0.853 1.00 11.40 C ATOM 1305 NE1 TRP A 92 -4.662 -14.645 -1.065 1.00 1.11 N ATOM 1306 CE2 TRP A 92 -4.233 -13.756 -0.113 1.00 21.12 C ATOM 1307 CE3 TRP A 92 -3.226 -11.568 -0.090 1.00 11.41 C ATOM 1308 CZ2 TRP A 92 -4.303 -13.769 1.286 1.00 73.55 C ATOM 1309 CZ3 TRP A 92 -3.282 -11.568 1.314 1.00 1.04 C ATOM 1310 CH2 TRP A 92 -3.817 -12.671 2.000 1.00 21.31 C ATOM 0 H TRP A 92 -5.481 -11.146 -2.766 1.00 32.21 H new ATOM 0 HA TRP A 92 -2.851 -10.309 -2.610 1.00 31.33 H new ATOM 0 HB2 TRP A 92 -4.048 -12.509 -4.330 1.00 64.25 H new ATOM 0 HB3 TRP A 92 -2.396 -12.434 -3.750 1.00 64.25 H new ATOM 0 HD1 TRP A 92 -4.758 -14.665 -3.248 1.00 55.25 H new ATOM 0 HE1 TRP A 92 -5.083 -15.550 -0.855 1.00 1.11 H new ATOM 0 HE3 TRP A 92 -2.816 -10.709 -0.600 1.00 11.41 H new ATOM 0 HZ2 TRP A 92 -4.727 -14.616 1.805 1.00 73.55 H new ATOM 0 HZ3 TRP A 92 -2.913 -10.717 1.867 1.00 1.04 H new ATOM 0 HH2 TRP A 92 -3.853 -12.670 3.079 1.00 21.31 H new ATOM 1320 N LYS A 93 -3.988 -9.827 -5.625 1.00 60.23 N ATOM 1321 CA LYS A 93 -3.767 -9.078 -6.858 1.00 24.21 C ATOM 1322 C LYS A 93 -3.326 -7.653 -6.549 1.00 12.33 C ATOM 1323 O LYS A 93 -2.379 -7.165 -7.164 1.00 71.34 O ATOM 1324 CB LYS A 93 -5.064 -9.116 -7.682 1.00 31.43 C ATOM 1325 CG LYS A 93 -4.922 -8.767 -9.172 1.00 52.24 C ATOM 1326 CD LYS A 93 -4.891 -7.268 -9.506 1.00 73.41 C ATOM 1327 CE LYS A 93 -4.853 -7.046 -11.026 1.00 2.02 C ATOM 1328 NZ LYS A 93 -6.138 -7.344 -11.704 1.00 61.13 N ATOM 0 H LYS A 93 -4.915 -10.250 -5.574 1.00 60.23 H new ATOM 0 HA LYS A 93 -2.964 -9.530 -7.440 1.00 24.21 H new ATOM 0 HB2 LYS A 93 -5.494 -10.115 -7.602 1.00 31.43 H new ATOM 0 HB3 LYS A 93 -5.777 -8.425 -7.233 1.00 31.43 H new ATOM 0 HG2 LYS A 93 -4.006 -9.223 -9.547 1.00 52.24 H new ATOM 0 HG3 LYS A 93 -5.750 -9.224 -9.714 1.00 52.24 H new ATOM 0 HD2 LYS A 93 -5.770 -6.779 -9.085 1.00 73.41 H new ATOM 0 HD3 LYS A 93 -4.018 -6.807 -9.045 1.00 73.41 H new ATOM 0 HE2 LYS A 93 -4.578 -6.010 -11.226 1.00 2.02 H new ATOM 0 HE3 LYS A 93 -4.071 -7.672 -11.456 1.00 2.02 H new ATOM 0 HZ1 LYS A 93 -6.066 -7.093 -12.711 1.00 61.13 H new ATOM 0 HZ2 LYS A 93 -6.351 -8.358 -11.615 1.00 61.13 H new ATOM 0 HZ3 LYS A 93 -6.900 -6.791 -11.263 1.00 61.13 H new ATOM 1338 N VAL A 94 -4.002 -6.995 -5.605 1.00 15.32 N ATOM 1339 CA VAL A 94 -3.814 -5.577 -5.326 1.00 20.33 C ATOM 1340 C VAL A 94 -2.379 -5.335 -4.848 1.00 1.41 C ATOM 1341 O VAL A 94 -1.714 -4.420 -5.331 1.00 2.22 O ATOM 1342 CB VAL A 94 -4.850 -5.111 -4.279 1.00 74.13 C ATOM 1343 CG1 VAL A 94 -4.779 -3.604 -4.010 1.00 23.23 C ATOM 1344 CG2 VAL A 94 -6.297 -5.435 -4.687 1.00 53.12 C ATOM 0 H VAL A 94 -4.701 -7.439 -5.009 1.00 15.32 H new ATOM 0 HA VAL A 94 -3.970 -4.994 -6.233 1.00 20.33 H new ATOM 0 HB VAL A 94 -4.587 -5.664 -3.377 1.00 74.13 H new ATOM 0 HG11 VAL A 94 -5.528 -3.331 -3.267 1.00 23.23 H new ATOM 0 HG12 VAL A 94 -3.788 -3.347 -3.637 1.00 23.23 H new ATOM 0 HG13 VAL A 94 -4.970 -3.060 -4.935 1.00 23.23 H new ATOM 0 HG21 VAL A 94 -6.980 -5.084 -3.913 1.00 53.12 H new ATOM 0 HG22 VAL A 94 -6.529 -4.938 -5.629 1.00 53.12 H new ATOM 0 HG23 VAL A 94 -6.408 -6.513 -4.808 1.00 53.12 H new ATOM 1354 N LEU A 95 -1.890 -6.138 -3.897 1.00 14.03 N ATOM 1355 CA LEU A 95 -0.557 -5.979 -3.324 1.00 22.10 C ATOM 1356 C LEU A 95 0.500 -6.099 -4.422 1.00 3.11 C ATOM 1357 O LEU A 95 1.419 -5.286 -4.480 1.00 32.12 O ATOM 1358 CB LEU A 95 -0.289 -6.994 -2.199 1.00 2.22 C ATOM 1359 CG LEU A 95 -1.220 -6.921 -0.965 1.00 12.32 C ATOM 1360 CD1 LEU A 95 -2.555 -7.604 -1.235 1.00 62.13 C ATOM 1361 CD2 LEU A 95 -0.562 -7.604 0.242 1.00 31.44 C ATOM 0 H LEU A 95 -2.414 -6.920 -3.504 1.00 14.03 H new ATOM 0 HA LEU A 95 -0.501 -4.986 -2.879 1.00 22.10 H new ATOM 0 HB2 LEU A 95 -0.360 -7.997 -2.621 1.00 2.22 H new ATOM 0 HB3 LEU A 95 0.738 -6.863 -1.859 1.00 2.22 H new ATOM 0 HG LEU A 95 -1.393 -5.866 -0.754 1.00 12.32 H new ATOM 0 HD11 LEU A 95 -3.185 -7.535 -0.348 1.00 62.13 H new ATOM 0 HD12 LEU A 95 -3.052 -7.114 -2.072 1.00 62.13 H new ATOM 0 HD13 LEU A 95 -2.385 -8.653 -1.478 1.00 62.13 H new ATOM 0 HD21 LEU A 95 -1.229 -7.544 1.102 1.00 31.44 H new ATOM 0 HD22 LEU A 95 -0.367 -8.650 0.006 1.00 31.44 H new ATOM 0 HD23 LEU A 95 0.377 -7.103 0.476 1.00 31.44 H new ATOM 1372 N TYR A 96 0.341 -7.093 -5.300 1.00 1.11 N ATOM 1373 CA TYR A 96 1.214 -7.324 -6.442 1.00 24.30 C ATOM 1374 C TYR A 96 1.204 -6.106 -7.370 1.00 31.44 C ATOM 1375 O TYR A 96 2.252 -5.672 -7.840 1.00 14.00 O ATOM 1376 CB TYR A 96 0.753 -8.607 -7.161 1.00 72.45 C ATOM 1377 CG TYR A 96 1.811 -9.443 -7.868 1.00 15.33 C ATOM 1378 CD1 TYR A 96 2.867 -8.862 -8.598 1.00 61.15 C ATOM 1379 CD2 TYR A 96 1.707 -10.846 -7.818 1.00 53.03 C ATOM 1380 CE1 TYR A 96 3.803 -9.672 -9.260 1.00 63.55 C ATOM 1381 CE2 TYR A 96 2.666 -11.657 -8.443 1.00 3.00 C ATOM 1382 CZ TYR A 96 3.717 -11.078 -9.181 1.00 12.00 C ATOM 1383 OH TYR A 96 4.626 -11.882 -9.803 1.00 71.55 O ATOM 0 H TYR A 96 -0.417 -7.772 -5.230 1.00 1.11 H new ATOM 0 HA TYR A 96 2.244 -7.462 -6.114 1.00 24.30 H new ATOM 0 HB2 TYR A 96 0.259 -9.243 -6.427 1.00 72.45 H new ATOM 0 HB3 TYR A 96 0.000 -8.326 -7.898 1.00 72.45 H new ATOM 0 HD1 TYR A 96 2.957 -7.787 -8.648 1.00 61.15 H new ATOM 0 HD2 TYR A 96 0.881 -11.303 -7.293 1.00 53.03 H new ATOM 0 HE1 TYR A 96 4.595 -9.215 -9.834 1.00 63.55 H new ATOM 0 HE2 TYR A 96 2.598 -12.731 -8.358 1.00 3.00 H new ATOM 0 HH TYR A 96 4.402 -12.821 -9.633 1.00 71.55 H new ATOM 1392 N ASP A 97 0.029 -5.551 -7.671 1.00 14.43 N ATOM 1393 CA ASP A 97 -0.114 -4.478 -8.652 1.00 24.20 C ATOM 1394 C ASP A 97 0.511 -3.185 -8.186 1.00 22.12 C ATOM 1395 O ASP A 97 1.163 -2.513 -8.985 1.00 53.04 O ATOM 1396 CB ASP A 97 -1.592 -4.268 -9.012 1.00 43.45 C ATOM 1397 CG ASP A 97 -1.752 -4.184 -10.525 1.00 42.23 C ATOM 1398 OD1 ASP A 97 -1.309 -5.132 -11.215 1.00 43.32 O ATOM 1399 OD2 ASP A 97 -2.383 -3.233 -11.034 1.00 61.23 O ATOM 0 H ASP A 97 -0.851 -5.834 -7.240 1.00 14.43 H new ATOM 0 HA ASP A 97 0.426 -4.788 -9.546 1.00 24.20 H new ATOM 0 HB2 ASP A 97 -2.191 -5.090 -8.620 1.00 43.45 H new ATOM 0 HB3 ASP A 97 -1.962 -3.354 -8.547 1.00 43.45 H new ATOM 1403 N LEU A 98 0.353 -2.878 -6.898 1.00 62.31 N ATOM 1404 CA LEU A 98 1.039 -1.758 -6.284 1.00 72.15 C ATOM 1405 C LEU A 98 2.538 -2.003 -6.340 1.00 70.42 C ATOM 1406 O LEU A 98 3.242 -1.175 -6.897 1.00 23.33 O ATOM 1407 CB LEU A 98 0.552 -1.517 -4.850 1.00 43.41 C ATOM 1408 CG LEU A 98 -0.914 -1.057 -4.750 1.00 63.32 C ATOM 1409 CD1 LEU A 98 -1.201 -0.603 -3.319 1.00 23.40 C ATOM 1410 CD2 LEU A 98 -1.294 0.072 -5.707 1.00 4.33 C ATOM 0 H LEU A 98 -0.251 -3.399 -6.262 1.00 62.31 H new ATOM 0 HA LEU A 98 0.810 -0.849 -6.840 1.00 72.15 H new ATOM 0 HB2 LEU A 98 0.672 -2.437 -4.278 1.00 43.41 H new ATOM 0 HB3 LEU A 98 1.189 -0.766 -4.383 1.00 43.41 H new ATOM 0 HG LEU A 98 -1.517 -1.919 -5.036 1.00 63.32 H new ATOM 0 HD11 LEU A 98 -2.238 -0.276 -3.242 1.00 23.40 H new ATOM 0 HD12 LEU A 98 -1.030 -1.433 -2.633 1.00 23.40 H new ATOM 0 HD13 LEU A 98 -0.540 0.224 -3.060 1.00 23.40 H new ATOM 0 HD21 LEU A 98 -2.344 0.330 -5.566 1.00 4.33 H new ATOM 0 HD22 LEU A 98 -0.675 0.946 -5.503 1.00 4.33 H new ATOM 0 HD23 LEU A 98 -1.135 -0.254 -6.735 1.00 4.33 H new ATOM 1421 N ALA A 99 3.033 -3.135 -5.826 1.00 32.21 N ATOM 1422 CA ALA A 99 4.466 -3.411 -5.752 1.00 5.32 C ATOM 1423 C ALA A 99 5.149 -3.295 -7.114 1.00 11.10 C ATOM 1424 O ALA A 99 6.160 -2.605 -7.233 1.00 10.20 O ATOM 1425 CB ALA A 99 4.696 -4.793 -5.145 1.00 21.40 C ATOM 0 H ALA A 99 2.449 -3.883 -5.451 1.00 32.21 H new ATOM 0 HA ALA A 99 4.918 -2.655 -5.110 1.00 5.32 H new ATOM 0 HB1 ALA A 99 5.766 -4.994 -5.092 1.00 21.40 H new ATOM 0 HB2 ALA A 99 4.271 -4.825 -4.142 1.00 21.40 H new ATOM 0 HB3 ALA A 99 4.216 -5.548 -5.767 1.00 21.40 H new ATOM 1431 N SER A 100 4.590 -3.935 -8.145 1.00 21.32 N ATOM 1432 CA SER A 100 5.155 -3.925 -9.488 1.00 52.23 C ATOM 1433 C SER A 100 5.115 -2.547 -10.163 1.00 54.41 C ATOM 1434 O SER A 100 5.666 -2.414 -11.257 1.00 64.22 O ATOM 1435 CB SER A 100 4.452 -4.978 -10.364 1.00 34.13 C ATOM 1436 OG SER A 100 5.263 -6.123 -10.579 1.00 42.11 O ATOM 0 H SER A 100 3.729 -4.476 -8.066 1.00 21.32 H new ATOM 0 HA SER A 100 6.210 -4.176 -9.383 1.00 52.23 H new ATOM 0 HB2 SER A 100 3.519 -5.280 -9.888 1.00 34.13 H new ATOM 0 HB3 SER A 100 4.191 -4.534 -11.325 1.00 34.13 H new ATOM 0 HG SER A 100 4.779 -6.766 -11.138 1.00 42.11 H new ATOM 1441 N ASN A 101 4.454 -1.536 -9.592 1.00 45.43 N ATOM 1442 CA ASN A 101 4.372 -0.201 -10.188 1.00 34.13 C ATOM 1443 C ASN A 101 4.602 0.898 -9.141 1.00 22.13 C ATOM 1444 O ASN A 101 4.195 2.037 -9.371 1.00 21.11 O ATOM 1445 CB ASN A 101 3.012 -0.018 -10.895 1.00 3.24 C ATOM 1446 CG ASN A 101 2.740 -1.038 -11.993 1.00 50.22 C ATOM 1447 OD1 ASN A 101 3.184 -0.909 -13.134 1.00 43.14 O ATOM 1448 ND2 ASN A 101 2.005 -2.093 -11.681 1.00 33.54 N ATOM 0 H ASN A 101 3.961 -1.621 -8.703 1.00 45.43 H new ATOM 0 HA ASN A 101 5.166 -0.110 -10.930 1.00 34.13 H new ATOM 0 HB2 ASN A 101 2.217 -0.079 -10.152 1.00 3.24 H new ATOM 0 HB3 ASN A 101 2.970 0.983 -11.325 1.00 3.24 H new ATOM 0 HD21 ASN A 101 1.805 -2.802 -12.387 1.00 33.54 H new ATOM 0 HD22 ASN A 101 1.638 -2.197 -10.735 1.00 33.54 H new ATOM 1454 N GLN A 102 5.193 0.602 -7.974 1.00 63.43 N ATOM 1455 CA GLN A 102 5.101 1.499 -6.826 1.00 31.31 C ATOM 1456 C GLN A 102 5.920 2.749 -7.082 1.00 5.02 C ATOM 1457 O GLN A 102 5.566 3.835 -6.633 1.00 74.52 O ATOM 1458 CB GLN A 102 5.531 0.823 -5.510 1.00 5.02 C ATOM 1459 CG GLN A 102 6.999 0.381 -5.384 1.00 2.30 C ATOM 1460 CD GLN A 102 7.287 -0.128 -3.971 1.00 1.11 C ATOM 1461 OE1 GLN A 102 7.273 0.642 -3.010 1.00 61.55 O ATOM 1462 NE2 GLN A 102 7.531 -1.416 -3.797 1.00 51.02 N ATOM 0 H GLN A 102 5.734 -0.246 -7.806 1.00 63.43 H new ATOM 0 HA GLN A 102 4.052 1.771 -6.706 1.00 31.31 H new ATOM 0 HB2 GLN A 102 5.316 1.511 -4.693 1.00 5.02 H new ATOM 0 HB3 GLN A 102 4.902 -0.055 -5.362 1.00 5.02 H new ATOM 0 HG2 GLN A 102 7.212 -0.404 -6.110 1.00 2.30 H new ATOM 0 HG3 GLN A 102 7.658 1.218 -5.617 1.00 2.30 H new ATOM 0 HE21 GLN A 102 7.541 -2.046 -4.599 1.00 51.02 H new ATOM 0 HE22 GLN A 102 7.710 -1.779 -2.861 1.00 51.02 H new ATOM 1469 N VAL A 103 7.026 2.584 -7.798 1.00 3.02 N ATOM 1470 CA VAL A 103 7.972 3.635 -8.076 1.00 51.14 C ATOM 1471 C VAL A 103 7.341 4.611 -9.056 1.00 14.23 C ATOM 1472 O VAL A 103 7.564 5.820 -8.945 1.00 61.24 O ATOM 1473 CB VAL A 103 9.237 2.991 -8.661 1.00 41.11 C ATOM 1474 CG1 VAL A 103 10.351 3.998 -8.884 1.00 61.21 C ATOM 1475 CG2 VAL A 103 9.764 1.901 -7.726 1.00 32.24 C ATOM 0 H VAL A 103 7.288 1.688 -8.208 1.00 3.02 H new ATOM 0 HA VAL A 103 8.240 4.184 -7.174 1.00 51.14 H new ATOM 0 HB VAL A 103 8.947 2.569 -9.624 1.00 41.11 H new ATOM 0 HG11 VAL A 103 11.222 3.491 -9.299 1.00 61.21 H new ATOM 0 HG12 VAL A 103 10.013 4.766 -9.579 1.00 61.21 H new ATOM 0 HG13 VAL A 103 10.619 4.461 -7.934 1.00 61.21 H new ATOM 0 HG21 VAL A 103 10.661 1.455 -8.156 1.00 32.24 H new ATOM 0 HG22 VAL A 103 10.005 2.338 -6.757 1.00 32.24 H new ATOM 0 HG23 VAL A 103 9.002 1.132 -7.598 1.00 32.24 H new ATOM 1485 N ASP A 104 6.577 4.080 -10.014 1.00 42.03 N ATOM 1486 CA ASP A 104 5.911 4.882 -11.017 1.00 53.23 C ATOM 1487 C ASP A 104 4.765 5.662 -10.387 1.00 30.50 C ATOM 1488 O ASP A 104 4.706 6.885 -10.492 1.00 5.00 O ATOM 1489 CB ASP A 104 5.383 4.037 -12.186 1.00 25.30 C ATOM 1490 CG ASP A 104 4.566 4.925 -13.132 1.00 33.34 C ATOM 1491 OD1 ASP A 104 5.129 5.943 -13.604 1.00 22.33 O ATOM 1492 OD2 ASP A 104 3.354 4.654 -13.321 1.00 33.54 O ATOM 0 H ASP A 104 6.409 3.078 -10.107 1.00 42.03 H new ATOM 0 HA ASP A 104 6.652 5.572 -11.420 1.00 53.23 H new ATOM 0 HB2 ASP A 104 6.215 3.582 -12.725 1.00 25.30 H new ATOM 0 HB3 ASP A 104 4.764 3.223 -11.809 1.00 25.30 H new ATOM 1496 N LEU A 105 3.867 4.948 -9.706 1.00 10.20 N ATOM 1497 CA LEU A 105 2.663 5.520 -9.117 1.00 14.33 C ATOM 1498 C LEU A 105 3.027 6.559 -8.053 1.00 62.41 C ATOM 1499 O LEU A 105 2.365 7.593 -7.962 1.00 11.44 O ATOM 1500 CB LEU A 105 1.770 4.396 -8.557 1.00 30.13 C ATOM 1501 CG LEU A 105 1.228 3.453 -9.648 1.00 33.40 C ATOM 1502 CD1 LEU A 105 0.631 2.194 -9.004 1.00 62.55 C ATOM 1503 CD2 LEU A 105 0.241 4.173 -10.582 1.00 1.03 C ATOM 0 H LEU A 105 3.960 3.945 -9.548 1.00 10.20 H new ATOM 0 HA LEU A 105 2.093 6.041 -9.886 1.00 14.33 H new ATOM 0 HB2 LEU A 105 2.340 3.814 -7.833 1.00 30.13 H new ATOM 0 HB3 LEU A 105 0.932 4.840 -8.020 1.00 30.13 H new ATOM 0 HG LEU A 105 2.056 3.136 -10.282 1.00 33.40 H new ATOM 0 HD11 LEU A 105 0.250 1.533 -9.782 1.00 62.55 H new ATOM 0 HD12 LEU A 105 1.402 1.676 -8.434 1.00 62.55 H new ATOM 0 HD13 LEU A 105 -0.184 2.478 -8.338 1.00 62.55 H new ATOM 0 HD21 LEU A 105 -0.119 3.475 -11.338 1.00 1.03 H new ATOM 0 HD22 LEU A 105 -0.603 4.547 -10.002 1.00 1.03 H new ATOM 0 HD23 LEU A 105 0.744 5.008 -11.069 1.00 1.03 H new ATOM 1514 N TRP A 106 4.104 6.322 -7.294 1.00 21.24 N ATOM 1515 CA TRP A 106 4.638 7.293 -6.356 1.00 1.24 C ATOM 1516 C TRP A 106 5.087 8.555 -7.083 1.00 43.15 C ATOM 1517 O TRP A 106 4.654 9.644 -6.719 1.00 30.34 O ATOM 1518 CB TRP A 106 5.793 6.698 -5.546 1.00 25.42 C ATOM 1519 CG TRP A 106 6.374 7.612 -4.510 1.00 33.20 C ATOM 1520 CD1 TRP A 106 7.648 8.059 -4.467 1.00 2.22 C ATOM 1521 CD2 TRP A 106 5.708 8.206 -3.360 1.00 5.23 C ATOM 1522 NE1 TRP A 106 7.832 8.838 -3.343 1.00 41.23 N ATOM 1523 CE2 TRP A 106 6.663 8.965 -2.624 1.00 12.20 C ATOM 1524 CE3 TRP A 106 4.389 8.178 -2.864 1.00 52.05 C ATOM 1525 CZ2 TRP A 106 6.327 9.633 -1.439 1.00 23.54 C ATOM 1526 CZ3 TRP A 106 4.046 8.813 -1.655 1.00 50.42 C ATOM 1527 CH2 TRP A 106 5.022 9.523 -0.931 1.00 21.42 C ATOM 0 H TRP A 106 4.625 5.445 -7.320 1.00 21.24 H new ATOM 0 HA TRP A 106 3.842 7.561 -5.662 1.00 1.24 H new ATOM 0 HB2 TRP A 106 5.443 5.791 -5.054 1.00 25.42 H new ATOM 0 HB3 TRP A 106 6.585 6.402 -6.234 1.00 25.42 H new ATOM 0 HD1 TRP A 106 8.408 7.840 -5.202 1.00 2.22 H new ATOM 0 HE1 TRP A 106 8.720 9.265 -3.078 1.00 41.23 H new ATOM 0 HE3 TRP A 106 3.625 7.658 -3.423 1.00 52.05 H new ATOM 0 HZ2 TRP A 106 7.065 10.227 -0.921 1.00 23.54 H new ATOM 0 HZ3 TRP A 106 3.034 8.755 -1.283 1.00 50.42 H new ATOM 0 HH2 TRP A 106 4.768 9.982 0.013 1.00 21.42 H new ATOM 1537 N GLU A 107 5.944 8.434 -8.100 1.00 2.43 N ATOM 1538 CA GLU A 107 6.416 9.579 -8.881 1.00 33.11 C ATOM 1539 C GLU A 107 5.250 10.347 -9.501 1.00 11.42 C ATOM 1540 O GLU A 107 5.304 11.580 -9.555 1.00 30.20 O ATOM 1541 CB GLU A 107 7.421 9.130 -9.956 1.00 33.54 C ATOM 1542 CG GLU A 107 8.877 9.314 -9.505 1.00 33.30 C ATOM 1543 CD GLU A 107 9.592 10.461 -10.233 1.00 2.34 C ATOM 1544 OE1 GLU A 107 9.911 10.310 -11.437 1.00 5.12 O ATOM 1545 OE2 GLU A 107 9.919 11.496 -9.607 1.00 3.33 O ATOM 0 H GLU A 107 6.330 7.540 -8.405 1.00 2.43 H new ATOM 0 HA GLU A 107 6.930 10.258 -8.202 1.00 33.11 H new ATOM 0 HB2 GLU A 107 7.247 8.081 -10.197 1.00 33.54 H new ATOM 0 HB3 GLU A 107 7.251 9.700 -10.870 1.00 33.54 H new ATOM 0 HG2 GLU A 107 8.898 9.504 -8.432 1.00 33.30 H new ATOM 0 HG3 GLU A 107 9.424 8.387 -9.675 1.00 33.30 H new ATOM 1550 N ASN A 108 4.181 9.644 -9.889 1.00 53.41 N ATOM 1551 CA ASN A 108 2.967 10.281 -10.368 1.00 21.42 C ATOM 1552 C ASN A 108 2.403 11.186 -9.286 1.00 22.33 C ATOM 1553 O ASN A 108 2.166 12.363 -9.548 1.00 31.31 O ATOM 1554 CB ASN A 108 1.913 9.261 -10.818 1.00 21.52 C ATOM 1555 CG ASN A 108 1.037 9.888 -11.890 1.00 65.34 C ATOM 1556 OD1 ASN A 108 -0.091 10.313 -11.655 1.00 14.20 O ATOM 1557 ND2 ASN A 108 1.571 10.016 -13.092 1.00 32.20 N ATOM 0 H ASN A 108 4.140 8.625 -9.877 1.00 53.41 H new ATOM 0 HA ASN A 108 3.227 10.875 -11.244 1.00 21.42 H new ATOM 0 HB2 ASN A 108 2.398 8.366 -11.206 1.00 21.52 H new ATOM 0 HB3 ASN A 108 1.304 8.951 -9.969 1.00 21.52 H new ATOM 0 HD21 ASN A 108 1.045 10.472 -13.838 1.00 32.20 H new ATOM 0 HD22 ASN A 108 2.509 9.659 -13.274 1.00 32.20 H new ATOM 1563 N TYR A 109 2.240 10.666 -8.062 1.00 70.31 N ATOM 1564 CA TYR A 109 1.802 11.472 -6.934 1.00 73.24 C ATOM 1565 C TYR A 109 2.728 12.653 -6.707 1.00 24.31 C ATOM 1566 O TYR A 109 2.216 13.737 -6.465 1.00 45.33 O ATOM 1567 CB TYR A 109 1.688 10.673 -5.630 1.00 5.21 C ATOM 1568 CG TYR A 109 0.548 9.682 -5.568 1.00 61.34 C ATOM 1569 CD1 TYR A 109 -0.782 10.110 -5.741 1.00 63.11 C ATOM 1570 CD2 TYR A 109 0.816 8.332 -5.297 1.00 61.41 C ATOM 1571 CE1 TYR A 109 -1.844 9.195 -5.630 1.00 54.34 C ATOM 1572 CE2 TYR A 109 -0.232 7.410 -5.193 1.00 72.25 C ATOM 1573 CZ TYR A 109 -1.572 7.838 -5.349 1.00 62.45 C ATOM 1574 OH TYR A 109 -2.592 6.952 -5.196 1.00 45.11 O ATOM 0 H TYR A 109 2.408 9.686 -7.836 1.00 70.31 H new ATOM 0 HA TYR A 109 0.806 11.826 -7.201 1.00 73.24 H new ATOM 0 HB2 TYR A 109 2.623 10.135 -5.472 1.00 5.21 H new ATOM 0 HB3 TYR A 109 1.581 11.375 -4.803 1.00 5.21 H new ATOM 0 HD1 TYR A 109 -0.988 11.147 -5.960 1.00 63.11 H new ATOM 0 HD2 TYR A 109 1.836 8.002 -5.168 1.00 61.41 H new ATOM 0 HE1 TYR A 109 -2.863 9.529 -5.759 1.00 54.34 H new ATOM 0 HE2 TYR A 109 -0.018 6.370 -4.993 1.00 72.25 H new ATOM 0 HH TYR A 109 -2.341 6.092 -5.593 1.00 45.11 H new ATOM 1583 N LEU A 110 4.055 12.495 -6.764 1.00 61.44 N ATOM 1584 CA LEU A 110 4.975 13.605 -6.520 1.00 73.42 C ATOM 1585 C LEU A 110 4.709 14.743 -7.508 1.00 50.11 C ATOM 1586 O LEU A 110 4.598 15.906 -7.107 1.00 53.12 O ATOM 1587 CB LEU A 110 6.439 13.133 -6.603 1.00 62.23 C ATOM 1588 CG LEU A 110 6.811 12.019 -5.605 1.00 61.40 C ATOM 1589 CD1 LEU A 110 8.275 11.621 -5.771 1.00 72.21 C ATOM 1590 CD2 LEU A 110 6.466 12.393 -4.163 1.00 71.40 C ATOM 0 H LEU A 110 4.513 11.609 -6.977 1.00 61.44 H new ATOM 0 HA LEU A 110 4.803 13.980 -5.511 1.00 73.42 H new ATOM 0 HB2 LEU A 110 6.636 12.777 -7.614 1.00 62.23 H new ATOM 0 HB3 LEU A 110 7.093 13.988 -6.433 1.00 62.23 H new ATOM 0 HG LEU A 110 6.202 11.145 -5.836 1.00 61.40 H new ATOM 0 HD11 LEU A 110 8.521 10.833 -5.059 1.00 72.21 H new ATOM 0 HD12 LEU A 110 8.441 11.258 -6.785 1.00 72.21 H new ATOM 0 HD13 LEU A 110 8.911 12.487 -5.588 1.00 72.21 H new ATOM 0 HD21 LEU A 110 6.747 11.576 -3.498 1.00 71.40 H new ATOM 0 HD22 LEU A 110 7.010 13.294 -3.881 1.00 71.40 H new ATOM 0 HD23 LEU A 110 5.395 12.575 -4.081 1.00 71.40 H new ATOM 1601 N ALA A 111 4.568 14.412 -8.792 1.00 72.31 N ATOM 1602 CA ALA A 111 4.309 15.383 -9.846 1.00 62.13 C ATOM 1603 C ALA A 111 2.938 16.046 -9.656 1.00 54.01 C ATOM 1604 O ALA A 111 2.828 17.274 -9.700 1.00 3.03 O ATOM 1605 CB ALA A 111 4.420 14.683 -11.205 1.00 54.43 C ATOM 0 H ALA A 111 4.632 13.451 -9.129 1.00 72.31 H new ATOM 0 HA ALA A 111 5.051 16.180 -9.801 1.00 62.13 H new ATOM 0 HB1 ALA A 111 4.228 15.402 -12.001 1.00 54.43 H new ATOM 0 HB2 ALA A 111 5.423 14.272 -11.322 1.00 54.43 H new ATOM 0 HB3 ALA A 111 3.689 13.877 -11.260 1.00 54.43 H new ATOM 1611 N ARG A 112 1.892 15.245 -9.431 1.00 71.43 N ATOM 1612 CA ARG A 112 0.518 15.702 -9.204 1.00 70.53 C ATOM 1613 C ARG A 112 0.464 16.643 -8.004 1.00 33.54 C ATOM 1614 O ARG A 112 -0.035 17.757 -8.100 1.00 31.42 O ATOM 1615 CB ARG A 112 -0.396 14.484 -8.962 1.00 54.42 C ATOM 1616 CG ARG A 112 -0.532 13.519 -10.156 1.00 53.33 C ATOM 1617 CD ARG A 112 -1.819 13.705 -10.959 1.00 45.33 C ATOM 1618 NE ARG A 112 -1.796 14.947 -11.745 1.00 44.22 N ATOM 1619 CZ ARG A 112 -2.857 15.699 -12.054 1.00 61.20 C ATOM 1620 NH1 ARG A 112 -4.080 15.372 -11.649 1.00 23.25 N ATOM 1621 NH2 ARG A 112 -2.685 16.783 -12.794 1.00 5.11 N ATOM 0 H ARG A 112 1.981 14.229 -9.401 1.00 71.43 H new ATOM 0 HA ARG A 112 0.173 16.244 -10.085 1.00 70.53 H new ATOM 0 HB2 ARG A 112 -0.013 13.927 -8.107 1.00 54.42 H new ATOM 0 HB3 ARG A 112 -1.389 14.843 -8.690 1.00 54.42 H new ATOM 0 HG2 ARG A 112 0.322 13.655 -10.820 1.00 53.33 H new ATOM 0 HG3 ARG A 112 -0.490 12.494 -9.789 1.00 53.33 H new ATOM 0 HD2 ARG A 112 -1.957 12.855 -11.627 1.00 45.33 H new ATOM 0 HD3 ARG A 112 -2.672 13.720 -10.281 1.00 45.33 H new ATOM 0 HE ARG A 112 -0.888 15.264 -12.085 1.00 44.22 H new ATOM 0 HH11 ARG A 112 -4.224 14.531 -11.090 1.00 23.25 H new ATOM 0 HH12 ARG A 112 -4.874 15.962 -11.897 1.00 23.25 H new ATOM 0 HH21 ARG A 112 -1.752 17.035 -13.121 1.00 5.11 H new ATOM 0 HH22 ARG A 112 -3.485 17.366 -13.038 1.00 5.11 H new ATOM 1632 N LEU A 113 1.027 16.217 -6.876 1.00 21.15 N ATOM 1633 CA LEU A 113 1.061 16.911 -5.599 1.00 13.45 C ATOM 1634 C LEU A 113 1.612 18.311 -5.792 1.00 31.25 C ATOM 1635 O LEU A 113 1.008 19.294 -5.358 1.00 54.03 O ATOM 1636 CB LEU A 113 1.922 16.072 -4.639 1.00 63.21 C ATOM 1637 CG LEU A 113 2.196 16.615 -3.233 1.00 4.21 C ATOM 1638 CD1 LEU A 113 3.385 17.568 -3.152 1.00 51.42 C ATOM 1639 CD2 LEU A 113 0.982 17.278 -2.619 1.00 72.24 C ATOM 0 H LEU A 113 1.503 15.316 -6.831 1.00 21.15 H new ATOM 0 HA LEU A 113 0.063 17.022 -5.175 1.00 13.45 H new ATOM 0 HB2 LEU A 113 1.443 15.099 -4.530 1.00 63.21 H new ATOM 0 HB3 LEU A 113 2.885 15.902 -5.121 1.00 63.21 H new ATOM 0 HG LEU A 113 2.450 15.725 -2.656 1.00 4.21 H new ATOM 0 HD11 LEU A 113 3.511 17.906 -2.124 1.00 51.42 H new ATOM 0 HD12 LEU A 113 4.288 17.051 -3.477 1.00 51.42 H new ATOM 0 HD13 LEU A 113 3.207 18.428 -3.798 1.00 51.42 H new ATOM 0 HD21 LEU A 113 1.232 17.645 -1.623 1.00 72.24 H new ATOM 0 HD22 LEU A 113 0.668 18.113 -3.245 1.00 72.24 H new ATOM 0 HD23 LEU A 113 0.170 16.554 -2.546 1.00 72.24 H new ATOM 1650 N ARG A 114 2.755 18.416 -6.467 1.00 25.53 N ATOM 1651 CA ARG A 114 3.385 19.702 -6.689 1.00 41.01 C ATOM 1652 C ARG A 114 2.540 20.619 -7.564 1.00 30.15 C ATOM 1653 O ARG A 114 2.453 21.801 -7.241 1.00 43.11 O ATOM 1654 CB ARG A 114 4.778 19.483 -7.271 1.00 1.01 C ATOM 1655 CG ARG A 114 5.796 19.300 -6.132 1.00 41.22 C ATOM 1656 CD ARG A 114 6.927 18.364 -6.544 1.00 62.52 C ATOM 1657 NE ARG A 114 8.034 18.400 -5.571 1.00 14.25 N ATOM 1658 CZ ARG A 114 9.294 18.769 -5.828 1.00 23.41 C ATOM 1659 NH1 ARG A 114 9.667 19.002 -7.083 1.00 31.43 N ATOM 1660 NH2 ARG A 114 10.175 18.872 -4.833 1.00 54.23 N ATOM 0 H ARG A 114 3.258 17.623 -6.866 1.00 25.53 H new ATOM 0 HA ARG A 114 3.476 20.214 -5.731 1.00 41.01 H new ATOM 0 HB2 ARG A 114 4.779 18.604 -7.916 1.00 1.01 H new ATOM 0 HB3 ARG A 114 5.061 20.334 -7.891 1.00 1.01 H new ATOM 0 HG2 ARG A 114 6.208 20.269 -5.850 1.00 41.22 H new ATOM 0 HG3 ARG A 114 5.292 18.900 -5.252 1.00 41.22 H new ATOM 0 HD2 ARG A 114 6.547 17.346 -6.628 1.00 62.52 H new ATOM 0 HD3 ARG A 114 7.297 18.648 -7.529 1.00 62.52 H new ATOM 0 HE ARG A 114 7.820 18.118 -4.615 1.00 14.25 H new ATOM 0 HH11 ARG A 114 8.994 18.899 -7.843 1.00 31.43 H new ATOM 0 HH12 ARG A 114 10.626 19.284 -7.286 1.00 31.43 H new ATOM 0 HH21 ARG A 114 9.889 18.669 -3.875 1.00 54.23 H new ATOM 0 HH22 ARG A 114 11.136 19.153 -5.029 1.00 54.23 H new ATOM 1671 N ALA A 115 1.884 20.103 -8.606 1.00 42.33 N ATOM 1672 CA ALA A 115 0.964 20.897 -9.415 1.00 22.24 C ATOM 1673 C ALA A 115 -0.217 21.380 -8.564 1.00 31.35 C ATOM 1674 O ALA A 115 -0.710 22.495 -8.748 1.00 21.52 O ATOM 1675 CB ALA A 115 0.460 20.062 -10.600 1.00 44.01 C ATOM 0 H ALA A 115 1.976 19.133 -8.908 1.00 42.33 H new ATOM 0 HA ALA A 115 1.493 21.771 -9.796 1.00 22.24 H new ATOM 0 HB1 ALA A 115 -0.226 20.659 -11.200 1.00 44.01 H new ATOM 0 HB2 ALA A 115 1.306 19.754 -11.214 1.00 44.01 H new ATOM 0 HB3 ALA A 115 -0.058 19.178 -10.228 1.00 44.01 H new ATOM 1681 N ALA A 116 -0.646 20.554 -7.606 1.00 72.31 N ATOM 1682 CA ALA A 116 -1.867 20.736 -6.840 1.00 72.10 C ATOM 1683 C ALA A 116 -1.624 21.585 -5.598 1.00 4.31 C ATOM 1684 O ALA A 116 -2.569 21.973 -4.916 1.00 41.04 O ATOM 1685 CB ALA A 116 -2.402 19.365 -6.427 1.00 32.12 C ATOM 0 H ALA A 116 -0.131 19.715 -7.339 1.00 72.31 H new ATOM 0 HA ALA A 116 -2.594 21.256 -7.464 1.00 72.10 H new ATOM 0 HB1 ALA A 116 -3.319 19.491 -5.851 1.00 32.12 H new ATOM 0 HB2 ALA A 116 -2.611 18.773 -7.318 1.00 32.12 H new ATOM 0 HB3 ALA A 116 -1.658 18.853 -5.817 1.00 32.12 H new ATOM 1691 N LYS A 117 -0.355 21.853 -5.286 1.00 5.43 N ATOM 1692 CA LYS A 117 0.131 22.667 -4.178 1.00 11.44 C ATOM 1693 C LYS A 117 -0.196 22.052 -2.811 1.00 45.32 C ATOM 1694 O LYS A 117 -0.149 22.756 -1.795 1.00 41.20 O ATOM 1695 CB LYS A 117 -0.396 24.114 -4.279 1.00 70.13 C ATOM 1696 CG LYS A 117 -0.441 24.823 -5.627 1.00 34.41 C ATOM 1697 CD LYS A 117 0.785 24.584 -6.476 1.00 51.13 C ATOM 1698 CE LYS A 117 2.123 24.899 -5.796 1.00 23.44 C ATOM 1699 NZ LYS A 117 2.217 26.304 -5.358 1.00 1.01 N ATOM 0 H LYS A 117 0.413 21.478 -5.843 1.00 5.43 H new ATOM 0 HA LYS A 117 1.218 22.693 -4.258 1.00 11.44 H new ATOM 0 HB2 LYS A 117 -1.410 24.117 -3.879 1.00 70.13 H new ATOM 0 HB3 LYS A 117 0.212 24.726 -3.612 1.00 70.13 H new ATOM 0 HG2 LYS A 117 -1.323 24.490 -6.174 1.00 34.41 H new ATOM 0 HG3 LYS A 117 -0.555 25.894 -5.461 1.00 34.41 H new ATOM 0 HD2 LYS A 117 0.792 23.540 -6.789 1.00 51.13 H new ATOM 0 HD3 LYS A 117 0.704 25.188 -7.380 1.00 51.13 H new ATOM 0 HE2 LYS A 117 2.252 24.244 -4.934 1.00 23.44 H new ATOM 0 HE3 LYS A 117 2.938 24.682 -6.487 1.00 23.44 H new ATOM 0 HZ1 LYS A 117 3.139 26.465 -4.905 1.00 1.01 H new ATOM 0 HZ2 LYS A 117 2.121 26.932 -6.182 1.00 1.01 H new ATOM 0 HZ3 LYS A 117 1.457 26.507 -4.678 1.00 1.01 H new ATOM 1709 N ALA A 118 -0.549 20.765 -2.774 1.00 53.31 N ATOM 1710 CA ALA A 118 -1.126 20.154 -1.593 1.00 21.55 C ATOM 1711 C ALA A 118 -0.049 19.883 -0.536 1.00 24.11 C ATOM 1712 O ALA A 118 1.145 20.128 -0.757 1.00 2.12 O ATOM 1713 CB ALA A 118 -1.959 18.932 -2.009 1.00 11.11 C ATOM 0 H ALA A 118 -0.440 20.127 -3.562 1.00 53.31 H new ATOM 0 HA ALA A 118 -1.819 20.837 -1.102 1.00 21.55 H new ATOM 0 HB1 ALA A 118 -2.395 18.470 -1.123 1.00 11.11 H new ATOM 0 HB2 ALA A 118 -2.756 19.247 -2.683 1.00 11.11 H new ATOM 0 HB3 ALA A 118 -1.319 18.211 -2.517 1.00 11.11 H new ATOM 1719 N SER A 119 -0.488 19.415 0.630 1.00 23.44 N ATOM 1720 CA SER A 119 0.334 19.174 1.810 1.00 64.24 C ATOM 1721 C SER A 119 1.466 18.185 1.511 1.00 43.04 C ATOM 1722 O SER A 119 1.297 17.251 0.732 1.00 42.24 O ATOM 1723 CB SER A 119 -0.565 18.624 2.918 1.00 53.41 C ATOM 1724 OG SER A 119 -1.765 19.379 3.045 1.00 71.40 O ATOM 0 H SER A 119 -1.470 19.184 0.783 1.00 23.44 H new ATOM 0 HA SER A 119 0.795 20.111 2.122 1.00 64.24 H new ATOM 0 HB2 SER A 119 -0.810 17.584 2.705 1.00 53.41 H new ATOM 0 HB3 SER A 119 -0.025 18.637 3.865 1.00 53.41 H new ATOM 0 HG SER A 119 -2.316 18.999 3.761 1.00 71.40 H new ATOM 1729 N ARG A 120 2.637 18.358 2.121 1.00 11.15 N ATOM 1730 CA ARG A 120 3.800 17.523 1.855 1.00 50.41 C ATOM 1731 C ARG A 120 4.301 17.065 3.205 1.00 63.22 C ATOM 1732 O ARG A 120 5.283 17.593 3.731 1.00 73.21 O ATOM 1733 CB ARG A 120 4.882 18.263 1.026 1.00 2.12 C ATOM 1734 CG ARG A 120 4.347 19.240 -0.031 1.00 24.43 C ATOM 1735 CD ARG A 120 5.353 19.507 -1.162 1.00 23.42 C ATOM 1736 NE ARG A 120 6.497 20.342 -0.751 1.00 61.51 N ATOM 1737 CZ ARG A 120 7.245 21.090 -1.573 1.00 12.45 C ATOM 1738 NH1 ARG A 120 7.004 21.109 -2.883 1.00 61.20 N ATOM 1739 NH2 ARG A 120 8.244 21.827 -1.103 1.00 45.10 N ATOM 0 H ARG A 120 2.803 19.085 2.816 1.00 11.15 H new ATOM 0 HA ARG A 120 3.536 16.667 1.234 1.00 50.41 H new ATOM 0 HB2 ARG A 120 5.528 18.813 1.711 1.00 2.12 H new ATOM 0 HB3 ARG A 120 5.505 17.520 0.528 1.00 2.12 H new ATOM 0 HG2 ARG A 120 3.427 18.839 -0.457 1.00 24.43 H new ATOM 0 HG3 ARG A 120 4.090 20.184 0.450 1.00 24.43 H new ATOM 0 HD2 ARG A 120 5.726 18.554 -1.537 1.00 23.42 H new ATOM 0 HD3 ARG A 120 4.836 19.995 -1.989 1.00 23.42 H new ATOM 0 HE ARG A 120 6.738 20.351 0.240 1.00 61.51 H new ATOM 0 HH11 ARG A 120 6.243 20.550 -3.270 1.00 61.20 H new ATOM 0 HH12 ARG A 120 7.580 21.682 -3.499 1.00 61.20 H new ATOM 0 HH21 ARG A 120 8.451 21.829 -0.104 1.00 45.10 H new ATOM 0 HH22 ARG A 120 8.805 22.392 -1.741 1.00 45.10 H new ATOM 1750 N GLU A 121 3.574 16.149 3.824 1.00 3.03 N ATOM 1751 CA GLU A 121 3.960 15.600 5.119 1.00 10.05 C ATOM 1752 C GLU A 121 5.372 14.984 5.042 1.00 62.34 C ATOM 1753 O GLU A 121 5.843 14.665 3.948 1.00 63.13 O ATOM 1754 CB GLU A 121 2.906 14.574 5.550 1.00 41.33 C ATOM 1755 CG GLU A 121 1.618 15.201 6.090 1.00 63.34 C ATOM 1756 CD GLU A 121 1.051 16.336 5.228 1.00 10.13 C ATOM 1757 OE1 GLU A 121 0.504 16.051 4.140 1.00 13.43 O ATOM 1758 OE2 GLU A 121 1.255 17.516 5.621 1.00 13.25 O ATOM 0 H GLU A 121 2.706 15.766 3.449 1.00 3.03 H new ATOM 0 HA GLU A 121 4.002 16.390 5.868 1.00 10.05 H new ATOM 0 HB2 GLU A 121 2.661 13.939 4.698 1.00 41.33 H new ATOM 0 HB3 GLU A 121 3.334 13.928 6.317 1.00 41.33 H new ATOM 0 HG2 GLU A 121 0.862 14.422 6.185 1.00 63.34 H new ATOM 0 HG3 GLU A 121 1.808 15.584 7.093 1.00 63.34 H new ATOM 1763 N PRO A 122 6.077 14.844 6.175 1.00 13.14 N ATOM 1764 CA PRO A 122 7.448 14.345 6.190 1.00 30.32 C ATOM 1765 C PRO A 122 7.483 12.852 5.867 1.00 2.21 C ATOM 1766 O PRO A 122 6.722 12.107 6.470 1.00 51.03 O ATOM 1767 CB PRO A 122 7.959 14.608 7.612 1.00 23.15 C ATOM 1768 CG PRO A 122 6.701 14.738 8.473 1.00 24.22 C ATOM 1769 CD PRO A 122 5.632 15.231 7.503 1.00 41.03 C ATOM 0 HA PRO A 122 8.068 14.837 5.441 1.00 30.32 H new ATOM 0 HB2 PRO A 122 8.592 13.792 7.960 1.00 23.15 H new ATOM 0 HB3 PRO A 122 8.560 15.517 7.653 1.00 23.15 H new ATOM 0 HG2 PRO A 122 6.424 13.783 8.919 1.00 24.22 H new ATOM 0 HG3 PRO A 122 6.850 15.441 9.292 1.00 24.22 H new ATOM 0 HD2 PRO A 122 4.663 14.787 7.733 1.00 41.03 H new ATOM 0 HD3 PRO A 122 5.512 16.312 7.573 1.00 41.03 H new