USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= -16.7! C(o=-16!,f=-20!) USER MOD Set 1.2: A 83 TYR OH : rot 4:sc= 1.1 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.0665 X(o=-0.066,f=-0.025) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.726 K(o=-0.73,f=-1.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -4.78! (180deg=-9.41!) USER MOD Single : A 37 GLN : amide:sc= -4.79! C(o=-4.8!,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.34) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0507 (180deg=-0.332) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 85:sc= 0.183 USER MOD Single : A 54 GLN : amide:sc= -0.0313 K(o=-0.031,f=-0.86) USER MOD Single : A 55 GLN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.779 K(o=-0.78,f=-5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -76:sc= 0.537 USER MOD Single : A 66 TYR OH : rot 165:sc= -1.93! USER MOD Single : A 67 THR OG1 : rot 23:sc= 0.36 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.914 4.168 5.804 1.00 0.00 N ATOM 100 CA SER A 10 9.974 3.166 6.861 1.00 0.00 C ATOM 101 C SER A 10 9.150 3.601 8.069 1.00 0.00 C ATOM 102 O SER A 10 8.239 2.894 8.499 1.00 0.00 O ATOM 103 CB SER A 10 11.425 2.923 7.281 1.00 0.00 C ATOM 104 OG SER A 10 11.490 2.260 8.532 1.00 0.00 O ATOM 0 HA SER A 10 9.555 2.238 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.931 2.326 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.953 3.874 7.342 1.00 0.00 H new ATOM 0 HG SER A 10 12.428 2.115 8.777 1.00 0.00 H new ATOM 110 N GLN A 11 9.477 4.770 8.611 1.00 0.00 N ATOM 111 CA GLN A 11 8.768 5.299 9.770 1.00 0.00 C ATOM 112 C GLN A 11 7.265 5.083 9.634 1.00 0.00 C ATOM 113 O GLN A 11 6.567 4.862 10.624 1.00 0.00 O ATOM 114 CB GLN A 11 9.068 6.790 9.941 1.00 0.00 C ATOM 115 CG GLN A 11 10.376 7.068 10.664 1.00 0.00 C ATOM 116 CD GLN A 11 10.570 6.184 11.880 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.614 5.861 12.586 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.812 5.788 12.132 1.00 0.00 N ATOM 0 H GLN A 11 10.228 5.368 8.266 1.00 0.00 H new ATOM 0 HA GLN A 11 9.115 4.762 10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.098 7.261 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.251 7.256 10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.207 6.918 9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.402 8.113 10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.574 6.080 11.520 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.004 5.192 12.937 1.00 0.00 H new ATOM 127 N ARG A 12 6.772 5.149 8.401 1.00 0.00 N ATOM 128 CA ARG A 12 5.351 4.962 8.136 1.00 0.00 C ATOM 129 C ARG A 12 4.937 3.515 8.383 1.00 0.00 C ATOM 130 O ARG A 12 5.733 2.585 8.251 1.00 0.00 O ATOM 131 CB ARG A 12 5.023 5.359 6.695 1.00 0.00 C ATOM 132 CG ARG A 12 5.365 6.803 6.368 1.00 0.00 C ATOM 133 CD ARG A 12 4.248 7.748 6.783 1.00 0.00 C ATOM 134 NE ARG A 12 4.383 8.178 8.172 1.00 0.00 N ATOM 135 CZ ARG A 12 3.638 9.130 8.722 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.711 9.749 8.005 1.00 0.00 N ATOM 137 NH2 ARG A 12 3.820 9.466 9.993 1.00 0.00 N ATOM 0 H ARG A 12 7.336 5.331 7.571 1.00 0.00 H new ATOM 0 HA ARG A 12 4.793 5.602 8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.565 4.703 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.960 5.197 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.288 7.083 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.548 6.901 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.251 8.622 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.286 7.253 6.648 1.00 0.00 H new ATOM 0 HE ARG A 12 5.088 7.722 8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.568 9.495 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.141 10.480 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.533 8.993 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.247 10.197 10.414 1.00 0.00 H new ATOM 151 N PRO A 13 3.662 3.318 8.751 1.00 0.00 N ATOM 152 CA PRO A 13 3.114 1.986 9.024 1.00 0.00 C ATOM 153 C PRO A 13 2.982 1.143 7.761 1.00 0.00 C ATOM 154 O PRO A 13 2.581 1.642 6.709 1.00 0.00 O ATOM 155 CB PRO A 13 1.734 2.285 9.614 1.00 0.00 C ATOM 156 CG PRO A 13 1.368 3.620 9.064 1.00 0.00 C ATOM 157 CD PRO A 13 2.658 4.380 8.928 1.00 0.00 C ATOM 0 HA PRO A 13 3.759 1.407 9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.007 1.525 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.764 2.300 10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.870 3.521 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.677 4.140 9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.637 5.059 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.864 4.984 9.812 1.00 0.00 H new ATOM 165 N TYR A 14 3.321 -0.137 7.871 1.00 0.00 N ATOM 166 CA TYR A 14 3.242 -1.049 6.736 1.00 0.00 C ATOM 167 C TYR A 14 1.933 -0.860 5.976 1.00 0.00 C ATOM 168 O TYR A 14 1.933 -0.508 4.796 1.00 0.00 O ATOM 169 CB TYR A 14 3.365 -2.498 7.211 1.00 0.00 C ATOM 170 CG TYR A 14 3.918 -3.434 6.160 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.121 -3.161 5.522 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.236 -4.592 5.805 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.630 -4.013 4.561 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.739 -5.450 4.846 1.00 0.00 C ATOM 175 CZ TYR A 14 4.936 -5.156 4.227 1.00 0.00 C ATOM 176 OH TYR A 14 5.439 -6.008 3.270 1.00 0.00 O ATOM 0 H TYR A 14 3.653 -0.566 8.735 1.00 0.00 H new ATOM 0 HA TYR A 14 4.068 -0.823 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.009 -2.530 8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.383 -2.854 7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.668 -2.267 5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.298 -4.825 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.567 -3.785 4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.198 -6.347 4.582 1.00 0.00 H new ATOM 0 HH TYR A 14 4.829 -6.766 3.154 1.00 0.00 H new ATOM 186 N ARG A 15 0.819 -1.095 6.660 1.00 0.00 N ATOM 187 CA ARG A 15 -0.497 -0.952 6.050 1.00 0.00 C ATOM 188 C ARG A 15 -0.501 0.177 5.024 1.00 0.00 C ATOM 189 O ARG A 15 -0.693 -0.056 3.831 1.00 0.00 O ATOM 190 CB ARG A 15 -1.554 -0.684 7.124 1.00 0.00 C ATOM 191 CG ARG A 15 -2.803 -0.001 6.591 1.00 0.00 C ATOM 192 CD ARG A 15 -3.902 0.047 7.642 1.00 0.00 C ATOM 193 NE ARG A 15 -4.294 -1.289 8.086 1.00 0.00 N ATOM 194 CZ ARG A 15 -3.684 -1.945 9.066 1.00 0.00 C ATOM 195 NH1 ARG A 15 -2.661 -1.392 9.703 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.099 -3.157 9.413 1.00 0.00 N ATOM 0 H ARG A 15 0.801 -1.385 7.638 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.736 -1.885 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.837 -1.629 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.116 -0.064 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.558 1.012 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.163 -0.533 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.559 0.628 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.771 0.563 7.234 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.079 -1.742 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.340 -0.460 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.195 -1.899 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.887 -3.585 8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.630 -3.661 10.166 1.00 0.00 H new ATOM 210 N ASP A 16 -0.288 1.400 5.498 1.00 0.00 N ATOM 211 CA ASP A 16 -0.266 2.566 4.622 1.00 0.00 C ATOM 212 C ASP A 16 0.641 2.325 3.419 1.00 0.00 C ATOM 213 O ASP A 16 0.227 2.498 2.273 1.00 0.00 O ATOM 214 CB ASP A 16 0.204 3.801 5.392 1.00 0.00 C ATOM 215 CG ASP A 16 -0.920 4.464 6.164 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.648 5.283 5.564 1.00 0.00 O ATOM 217 OD2 ASP A 16 -1.071 4.166 7.367 1.00 0.00 O ATOM 0 H ASP A 16 -0.128 1.610 6.483 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.280 2.737 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.996 3.515 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.634 4.519 4.694 1.00 0.00 H new ATOM 222 N ARG A 17 1.880 1.928 3.690 1.00 0.00 N ATOM 223 CA ARG A 17 2.847 1.666 2.630 1.00 0.00 C ATOM 224 C ARG A 17 2.266 0.716 1.587 1.00 0.00 C ATOM 225 O ARG A 17 2.610 0.787 0.407 1.00 0.00 O ATOM 226 CB ARG A 17 4.130 1.074 3.217 1.00 0.00 C ATOM 227 CG ARG A 17 4.877 2.029 4.134 1.00 0.00 C ATOM 228 CD ARG A 17 5.947 1.306 4.937 1.00 0.00 C ATOM 229 NE ARG A 17 7.118 0.986 4.125 1.00 0.00 N ATOM 230 CZ ARG A 17 8.197 0.374 4.601 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.253 0.019 5.877 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.223 0.117 3.799 1.00 0.00 N ATOM 0 H ARG A 17 2.238 1.781 4.634 1.00 0.00 H new ATOM 0 HA ARG A 17 3.081 2.613 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.882 0.170 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.789 0.776 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.337 2.820 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.173 2.509 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.249 1.927 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.531 0.388 5.351 1.00 0.00 H new ATOM 0 HE ARG A 17 7.107 1.246 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.467 0.216 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.083 -0.451 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.183 0.389 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.051 -0.353 4.165 1.00 0.00 H new ATOM 246 N VAL A 18 1.384 -0.174 2.031 1.00 0.00 N ATOM 247 CA VAL A 18 0.755 -1.138 1.136 1.00 0.00 C ATOM 248 C VAL A 18 -0.372 -0.493 0.337 1.00 0.00 C ATOM 249 O VAL A 18 -0.288 -0.370 -0.885 1.00 0.00 O ATOM 250 CB VAL A 18 0.192 -2.343 1.915 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.559 -3.279 0.981 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.311 -3.080 2.635 1.00 0.00 C ATOM 0 H VAL A 18 1.089 -0.247 3.005 1.00 0.00 H new ATOM 0 HA VAL A 18 1.529 -1.486 0.452 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.510 -1.975 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.949 -4.124 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.385 -2.742 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.119 -3.643 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.896 -3.928 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.039 -3.438 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.801 -2.403 3.335 1.00 0.00 H new ATOM 262 N ILE A 19 -1.425 -0.082 1.035 1.00 0.00 N ATOM 263 CA ILE A 19 -2.568 0.552 0.391 1.00 0.00 C ATOM 264 C ILE A 19 -2.119 1.654 -0.564 1.00 0.00 C ATOM 265 O ILE A 19 -2.589 1.735 -1.700 1.00 0.00 O ATOM 266 CB ILE A 19 -3.538 1.151 1.427 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.935 2.409 2.055 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.868 0.123 2.498 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.754 2.965 3.198 1.00 0.00 C ATOM 0 H ILE A 19 -1.510 -0.177 2.047 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.085 -0.226 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.462 1.429 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.932 2.181 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.831 3.175 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.554 0.560 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.334 -0.747 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.952 -0.182 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.267 3.856 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.750 3.225 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.836 2.215 3.985 1.00 0.00 H new ATOM 281 N HIS A 20 -1.206 2.499 -0.097 1.00 0.00 N ATOM 282 CA HIS A 20 -0.691 3.595 -0.910 1.00 0.00 C ATOM 283 C HIS A 20 -0.213 3.086 -2.267 1.00 0.00 C ATOM 284 O HIS A 20 -0.214 3.824 -3.253 1.00 0.00 O ATOM 285 CB HIS A 20 0.455 4.301 -0.185 1.00 0.00 C ATOM 286 CG HIS A 20 -0.002 5.371 0.758 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.039 5.232 2.130 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.511 6.602 0.521 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.426 6.332 2.695 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.766 7.179 1.741 1.00 0.00 N ATOM 0 H HIS A 20 -0.807 2.446 0.840 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.501 4.306 -1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.033 3.562 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.125 4.741 -0.924 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.376 4.409 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.684 7.048 -0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.513 6.508 3.757 1.00 0.00 H new ATOM 298 N LEU A 21 0.194 1.822 -2.310 1.00 0.00 N ATOM 299 CA LEU A 21 0.675 1.215 -3.546 1.00 0.00 C ATOM 300 C LEU A 21 -0.482 0.631 -4.352 1.00 0.00 C ATOM 301 O LEU A 21 -0.600 0.874 -5.553 1.00 0.00 O ATOM 302 CB LEU A 21 1.698 0.121 -3.235 1.00 0.00 C ATOM 303 CG LEU A 21 3.090 0.602 -2.822 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.000 -0.581 -2.534 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.691 1.489 -3.903 1.00 0.00 C ATOM 0 H LEU A 21 0.200 1.198 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 21 1.153 1.992 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.300 -0.505 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.801 -0.513 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 21 2.994 1.190 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.986 -0.219 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.577 -1.176 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.090 -1.197 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.681 1.822 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.773 0.925 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.050 2.356 -4.060 1.00 0.00 H new ATOM 317 N LEU A 22 -1.333 -0.139 -3.682 1.00 0.00 N ATOM 318 CA LEU A 22 -2.482 -0.756 -4.335 1.00 0.00 C ATOM 319 C LEU A 22 -3.416 0.304 -4.910 1.00 0.00 C ATOM 320 O LEU A 22 -4.083 0.077 -5.919 1.00 0.00 O ATOM 321 CB LEU A 22 -3.242 -1.640 -3.345 1.00 0.00 C ATOM 322 CG LEU A 22 -2.535 -2.924 -2.911 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.084 -3.412 -1.579 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.682 -4.000 -3.977 1.00 0.00 C ATOM 0 H LEU A 22 -1.249 -0.351 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.115 -1.373 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.459 -1.050 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.200 -1.909 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.474 -2.707 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.569 -4.327 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.926 -2.647 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.151 -3.612 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.173 -4.907 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.739 -4.214 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.240 -3.651 -4.910 1.00 0.00 H new ATOM 336 N ALA A 23 -3.457 1.464 -4.262 1.00 0.00 N ATOM 337 CA ALA A 23 -4.306 2.560 -4.710 1.00 0.00 C ATOM 338 C ALA A 23 -4.127 2.818 -6.203 1.00 0.00 C ATOM 339 O ALA A 23 -5.058 2.642 -6.989 1.00 0.00 O ATOM 340 CB ALA A 23 -4.003 3.822 -3.915 1.00 0.00 C ATOM 0 H ALA A 23 -2.912 1.668 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.344 2.276 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.645 4.633 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.188 3.639 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.959 4.100 -4.058 1.00 0.00 H new ATOM 346 N LEU A 24 -2.925 3.235 -6.586 1.00 0.00 N ATOM 347 CA LEU A 24 -2.624 3.518 -7.985 1.00 0.00 C ATOM 348 C LEU A 24 -3.200 2.438 -8.895 1.00 0.00 C ATOM 349 O LEU A 24 -3.922 2.733 -9.848 1.00 0.00 O ATOM 350 CB LEU A 24 -1.112 3.621 -8.191 1.00 0.00 C ATOM 351 CG LEU A 24 -0.377 4.608 -7.284 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.121 4.555 -7.539 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.906 6.020 -7.492 1.00 0.00 C ATOM 0 H LEU A 24 -2.144 3.385 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.086 4.471 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.677 2.632 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.925 3.902 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.558 4.323 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.627 5.264 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.489 3.549 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.322 4.814 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.371 6.709 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.756 6.315 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.970 6.048 -7.256 1.00 0.00 H new ATOM 365 N LYS A 25 -2.878 1.184 -8.594 1.00 0.00 N ATOM 366 CA LYS A 25 -3.365 0.058 -9.382 1.00 0.00 C ATOM 367 C LYS A 25 -3.345 -1.228 -8.562 1.00 0.00 C ATOM 368 O LYS A 25 -2.813 -1.260 -7.453 1.00 0.00 O ATOM 369 CB LYS A 25 -2.516 -0.114 -10.643 1.00 0.00 C ATOM 370 CG LYS A 25 -1.182 -0.796 -10.389 1.00 0.00 C ATOM 371 CD LYS A 25 -0.526 -1.236 -11.687 1.00 0.00 C ATOM 372 CE LYS A 25 0.623 -2.199 -11.432 1.00 0.00 C ATOM 373 NZ LYS A 25 1.018 -2.932 -12.667 1.00 0.00 N ATOM 0 H LYS A 25 -2.281 0.922 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.395 0.267 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.079 -0.695 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.335 0.865 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.519 -0.114 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.332 -1.662 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.268 -1.714 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.157 -0.362 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.481 -1.647 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.333 -2.914 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.804 -3.578 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.207 -3.479 -13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.319 -2.251 -13.393 1.00 0.00 H new ATOM 387 N ALA A 26 -3.925 -2.287 -9.117 1.00 0.00 N ATOM 388 CA ALA A 26 -3.970 -3.577 -8.439 1.00 0.00 C ATOM 389 C ALA A 26 -2.592 -4.228 -8.407 1.00 0.00 C ATOM 390 O ALA A 26 -1.867 -4.220 -9.403 1.00 0.00 O ATOM 391 CB ALA A 26 -4.975 -4.496 -9.118 1.00 0.00 C ATOM 0 H ALA A 26 -4.370 -2.277 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.287 -3.408 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.998 -5.455 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.965 -4.041 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.683 -4.650 -10.157 1.00 0.00 H new ATOM 397 N TYR A 27 -2.235 -4.791 -7.258 1.00 0.00 N ATOM 398 CA TYR A 27 -0.941 -5.445 -7.096 1.00 0.00 C ATOM 399 C TYR A 27 -1.110 -6.858 -6.546 1.00 0.00 C ATOM 400 O TYR A 27 -2.057 -7.143 -5.813 1.00 0.00 O ATOM 401 CB TYR A 27 -0.046 -4.626 -6.164 1.00 0.00 C ATOM 402 CG TYR A 27 0.774 -3.576 -6.880 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.209 -2.366 -7.261 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.114 -3.795 -7.175 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.954 -1.404 -7.916 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.867 -2.839 -7.828 1.00 0.00 C ATOM 407 CZ TYR A 27 2.282 -1.646 -8.197 1.00 0.00 C ATOM 408 OH TYR A 27 3.028 -0.690 -8.848 1.00 0.00 O ATOM 0 H TYR A 27 -2.823 -4.808 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.470 -5.511 -8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.667 -4.139 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.626 -5.301 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.831 -2.173 -7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.575 -4.729 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.499 -0.468 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.908 -3.025 -8.048 1.00 0.00 H new ATOM 0 HH TYR A 27 3.944 -1.016 -8.969 1.00 0.00 H new ATOM 418 N LYS A 28 -0.184 -7.740 -6.905 1.00 0.00 N ATOM 419 CA LYS A 28 -0.226 -9.123 -6.448 1.00 0.00 C ATOM 420 C LYS A 28 0.622 -9.307 -5.193 1.00 0.00 C ATOM 421 O LYS A 28 1.467 -8.471 -4.873 1.00 0.00 O ATOM 422 CB LYS A 28 0.268 -10.062 -7.551 1.00 0.00 C ATOM 423 CG LYS A 28 -0.548 -9.980 -8.829 1.00 0.00 C ATOM 424 CD LYS A 28 0.300 -10.283 -10.053 1.00 0.00 C ATOM 425 CE LYS A 28 -0.340 -9.742 -11.323 1.00 0.00 C ATOM 426 NZ LYS A 28 0.086 -10.507 -12.527 1.00 0.00 N ATOM 0 H LYS A 28 0.606 -7.521 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.260 -9.368 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.308 -9.827 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.246 -11.087 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.378 -10.684 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.980 -8.984 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.290 -9.845 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.437 -11.360 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.425 -9.786 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.073 -8.692 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.371 -10.108 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.119 -10.445 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.192 -11.504 -12.421 1.00 0.00 H new ATOM 440 N LYS A 29 0.391 -10.408 -4.485 1.00 0.00 N ATOM 441 CA LYS A 29 1.134 -10.704 -3.266 1.00 0.00 C ATOM 442 C LYS A 29 2.630 -10.494 -3.476 1.00 0.00 C ATOM 443 O LYS A 29 3.287 -9.753 -2.744 1.00 0.00 O ATOM 444 CB LYS A 29 0.869 -12.144 -2.819 1.00 0.00 C ATOM 445 CG LYS A 29 1.924 -12.692 -1.874 1.00 0.00 C ATOM 446 CD LYS A 29 1.534 -12.483 -0.421 1.00 0.00 C ATOM 447 CE LYS A 29 2.038 -11.148 0.105 1.00 0.00 C ATOM 448 NZ LYS A 29 1.821 -11.013 1.573 1.00 0.00 N ATOM 0 H LYS A 29 -0.305 -11.110 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 29 0.794 -10.020 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.104 -12.190 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.814 -12.784 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.066 -13.756 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.878 -12.203 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.449 -12.527 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.941 -13.292 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.101 -11.048 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.527 -10.337 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.436 -10.070 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.149 -11.740 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.726 -11.135 2.070 1.00 0.00 H new ATOM 462 N PRO A 30 3.184 -11.159 -4.502 1.00 0.00 N ATOM 463 CA PRO A 30 4.608 -11.058 -4.833 1.00 0.00 C ATOM 464 C PRO A 30 4.978 -9.689 -5.393 1.00 0.00 C ATOM 465 O PRO A 30 5.924 -9.054 -4.929 1.00 0.00 O ATOM 466 CB PRO A 30 4.802 -12.141 -5.897 1.00 0.00 C ATOM 467 CG PRO A 30 3.457 -12.310 -6.515 1.00 0.00 C ATOM 468 CD PRO A 30 2.462 -12.059 -5.416 1.00 0.00 C ATOM 0 HA PRO A 30 5.240 -11.185 -3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.543 -11.840 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.154 -13.073 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.315 -11.609 -7.338 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.340 -13.313 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.550 -11.598 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.169 -12.984 -4.920 1.00 0.00 H new ATOM 476 N GLU A 31 4.226 -9.241 -6.393 1.00 0.00 N ATOM 477 CA GLU A 31 4.476 -7.946 -7.016 1.00 0.00 C ATOM 478 C GLU A 31 4.463 -6.830 -5.975 1.00 0.00 C ATOM 479 O GLU A 31 5.474 -6.162 -5.752 1.00 0.00 O ATOM 480 CB GLU A 31 3.429 -7.664 -8.096 1.00 0.00 C ATOM 481 CG GLU A 31 3.737 -6.436 -8.936 1.00 0.00 C ATOM 482 CD GLU A 31 4.887 -6.661 -9.898 1.00 0.00 C ATOM 483 OE1 GLU A 31 4.705 -7.423 -10.872 1.00 0.00 O ATOM 484 OE2 GLU A 31 5.969 -6.077 -9.679 1.00 0.00 O ATOM 0 H GLU A 31 3.439 -9.755 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 31 5.463 -7.978 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.352 -8.532 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.456 -7.535 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.847 -6.153 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.977 -5.601 -8.278 1.00 0.00 H new ATOM 491 N LEU A 32 3.312 -6.634 -5.342 1.00 0.00 N ATOM 492 CA LEU A 32 3.166 -5.598 -4.324 1.00 0.00 C ATOM 493 C LEU A 32 4.402 -5.533 -3.432 1.00 0.00 C ATOM 494 O LEU A 32 4.896 -4.450 -3.116 1.00 0.00 O ATOM 495 CB LEU A 32 1.923 -5.863 -3.474 1.00 0.00 C ATOM 496 CG LEU A 32 1.228 -4.629 -2.897 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.098 -5.038 -1.965 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.230 -3.745 -2.168 1.00 0.00 C ATOM 0 H LEU A 32 2.467 -7.178 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 32 3.055 -4.639 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.202 -6.410 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.205 -6.516 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 32 0.801 -4.058 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.384 -4.146 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.633 -5.629 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.500 -5.632 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.718 -2.872 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.686 -4.307 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.004 -3.422 -2.864 1.00 0.00 H new ATOM 510 N LEU A 33 4.898 -6.699 -3.032 1.00 0.00 N ATOM 511 CA LEU A 33 6.078 -6.775 -2.178 1.00 0.00 C ATOM 512 C LEU A 33 7.260 -6.051 -2.816 1.00 0.00 C ATOM 513 O LEU A 33 7.760 -5.065 -2.277 1.00 0.00 O ATOM 514 CB LEU A 33 6.445 -8.235 -1.910 1.00 0.00 C ATOM 515 CG LEU A 33 5.824 -8.865 -0.662 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.993 -10.376 -0.686 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.446 -8.277 0.597 1.00 0.00 C ATOM 0 H LEU A 33 4.502 -7.604 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 33 5.843 -6.286 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.151 -8.828 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.530 -8.307 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 33 4.758 -8.640 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.545 -10.806 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.501 -10.783 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.054 -10.623 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.993 -8.736 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.518 -8.472 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.273 -7.201 0.620 1.00 0.00 H new ATOM 529 N ALA A 34 7.699 -6.547 -3.968 1.00 0.00 N ATOM 530 CA ALA A 34 8.818 -5.945 -4.682 1.00 0.00 C ATOM 531 C ALA A 34 8.865 -4.438 -4.459 1.00 0.00 C ATOM 532 O ALA A 34 9.894 -3.891 -4.062 1.00 0.00 O ATOM 533 CB ALA A 34 8.726 -6.258 -6.168 1.00 0.00 C ATOM 0 H ALA A 34 7.297 -7.364 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 34 9.740 -6.373 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.568 -5.802 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.750 -7.338 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.794 -5.859 -6.567 1.00 0.00 H new ATOM 539 N ARG A 35 7.744 -3.771 -4.716 1.00 0.00 N ATOM 540 CA ARG A 35 7.658 -2.326 -4.545 1.00 0.00 C ATOM 541 C ARG A 35 8.110 -1.916 -3.147 1.00 0.00 C ATOM 542 O ARG A 35 8.893 -0.979 -2.985 1.00 0.00 O ATOM 543 CB ARG A 35 6.227 -1.846 -4.791 1.00 0.00 C ATOM 544 CG ARG A 35 5.855 -1.767 -6.263 1.00 0.00 C ATOM 545 CD ARG A 35 6.583 -0.630 -6.962 1.00 0.00 C ATOM 546 NE ARG A 35 5.822 0.616 -6.917 1.00 0.00 N ATOM 547 CZ ARG A 35 6.161 1.708 -7.594 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.241 1.708 -8.362 1.00 0.00 N ATOM 549 NH2 ARG A 35 5.418 2.804 -7.502 1.00 0.00 N ATOM 0 H ARG A 35 6.883 -4.209 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 35 8.321 -1.859 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.535 -2.520 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.100 -0.862 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.098 -2.711 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.779 -1.625 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.555 -0.479 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.770 -0.903 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 35 4.985 0.650 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.815 0.868 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.498 2.548 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.586 2.808 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.679 3.642 -8.022 1.00 0.00 H new ATOM 563 N LEU A 36 7.612 -2.623 -2.139 1.00 0.00 N ATOM 564 CA LEU A 36 7.963 -2.334 -0.753 1.00 0.00 C ATOM 565 C LEU A 36 9.385 -2.793 -0.444 1.00 0.00 C ATOM 566 O LEU A 36 10.215 -2.008 0.012 1.00 0.00 O ATOM 567 CB LEU A 36 6.977 -3.015 0.197 1.00 0.00 C ATOM 568 CG LEU A 36 5.545 -2.478 0.176 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.576 -3.524 0.703 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.444 -1.196 0.990 1.00 0.00 C ATOM 0 H LEU A 36 6.963 -3.401 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 36 7.910 -1.255 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.949 -4.078 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.362 -2.927 1.213 1.00 0.00 H new ATOM 0 HG LEU A 36 5.277 -2.251 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.562 -3.125 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.628 -4.416 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.842 -3.783 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.418 -0.828 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.731 -1.397 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.110 -0.444 0.568 1.00 0.00 H new ATOM 582 N GLN A 37 9.656 -4.069 -0.698 1.00 0.00 N ATOM 583 CA GLN A 37 10.978 -4.633 -0.448 1.00 0.00 C ATOM 584 C GLN A 37 12.068 -3.754 -1.055 1.00 0.00 C ATOM 585 O GLN A 37 13.193 -3.710 -0.557 1.00 0.00 O ATOM 586 CB GLN A 37 11.069 -6.048 -1.021 1.00 0.00 C ATOM 587 CG GLN A 37 10.165 -7.048 -0.320 1.00 0.00 C ATOM 588 CD GLN A 37 10.859 -7.760 0.825 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.446 -8.843 1.239 1.00 0.00 O ATOM 590 NE2 GLN A 37 11.922 -7.154 1.342 1.00 0.00 N ATOM 0 H GLN A 37 8.979 -4.731 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 37 11.129 -4.676 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.812 -6.019 -2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.101 -6.393 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.283 -6.531 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.816 -7.785 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.230 -6.256 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.431 -7.586 2.113 1.00 0.00 H new ATOM 599 N LYS A 38 11.726 -3.057 -2.133 1.00 0.00 N ATOM 600 CA LYS A 38 12.674 -2.178 -2.808 1.00 0.00 C ATOM 601 C LYS A 38 13.292 -1.188 -1.826 1.00 0.00 C ATOM 602 O LYS A 38 14.463 -0.826 -1.949 1.00 0.00 O ATOM 603 CB LYS A 38 11.981 -1.422 -3.943 1.00 0.00 C ATOM 604 CG LYS A 38 12.086 -2.116 -5.290 1.00 0.00 C ATOM 605 CD LYS A 38 11.650 -1.204 -6.424 1.00 0.00 C ATOM 606 CE LYS A 38 10.152 -1.298 -6.670 1.00 0.00 C ATOM 607 NZ LYS A 38 9.800 -0.968 -8.079 1.00 0.00 N ATOM 0 H LYS A 38 10.799 -3.084 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 38 13.470 -2.795 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.928 -1.292 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.415 -0.425 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.114 -2.437 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.468 -3.014 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.917 -0.174 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.187 -1.471 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.808 -2.305 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.630 -0.618 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.862 -1.357 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.784 0.065 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.508 -1.381 -8.719 1.00 0.00 H new ATOM 621 N ASP A 39 12.500 -0.755 -0.852 1.00 0.00 N ATOM 622 CA ASP A 39 12.970 0.192 0.152 1.00 0.00 C ATOM 623 C ASP A 39 13.282 -0.519 1.465 1.00 0.00 C ATOM 624 O ASP A 39 13.800 0.086 2.403 1.00 0.00 O ATOM 625 CB ASP A 39 11.924 1.284 0.385 1.00 0.00 C ATOM 626 CG ASP A 39 12.075 2.444 -0.579 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.587 2.332 -1.723 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.679 3.465 -0.188 1.00 0.00 O ATOM 0 H ASP A 39 11.529 -1.045 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 39 13.886 0.651 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.927 0.856 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.008 1.652 1.408 1.00 0.00 H new ATOM 633 N GLY A 40 12.963 -1.808 1.525 1.00 0.00 N ATOM 634 CA GLY A 40 13.215 -2.580 2.728 1.00 0.00 C ATOM 635 C GLY A 40 11.936 -3.008 3.421 1.00 0.00 C ATOM 636 O GLY A 40 11.124 -2.170 3.814 1.00 0.00 O ATOM 0 H GLY A 40 12.534 -2.332 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.800 -3.464 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.817 -1.987 3.417 1.00 0.00 H new ATOM 640 N VAL A 41 11.755 -4.316 3.571 1.00 0.00 N ATOM 641 CA VAL A 41 10.566 -4.854 4.221 1.00 0.00 C ATOM 642 C VAL A 41 10.941 -5.797 5.358 1.00 0.00 C ATOM 643 O VAL A 41 11.616 -6.804 5.146 1.00 0.00 O ATOM 644 CB VAL A 41 9.670 -5.606 3.219 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.689 -6.507 3.952 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.935 -4.623 2.320 1.00 0.00 C ATOM 0 H VAL A 41 12.417 -5.023 3.251 1.00 0.00 H new ATOM 0 HA VAL A 41 10.014 -4.005 4.624 1.00 0.00 H new ATOM 0 HB VAL A 41 10.303 -6.233 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.064 -7.030 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.239 -7.234 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.059 -5.903 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.307 -5.171 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.312 -3.968 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.659 -4.024 1.767 1.00 0.00 H new ATOM 656 N ASN A 42 10.497 -5.465 6.566 1.00 0.00 N ATOM 657 CA ASN A 42 10.786 -6.283 7.738 1.00 0.00 C ATOM 658 C ASN A 42 10.040 -7.612 7.671 1.00 0.00 C ATOM 659 O ASN A 42 8.931 -7.687 7.142 1.00 0.00 O ATOM 660 CB ASN A 42 10.401 -5.534 9.016 1.00 0.00 C ATOM 661 CG ASN A 42 11.515 -4.634 9.516 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.168 -4.934 10.516 1.00 0.00 O ATOM 663 ND2 ASN A 42 11.735 -3.524 8.821 1.00 0.00 N ATOM 0 H ASN A 42 9.936 -4.635 6.759 1.00 0.00 H new ATOM 0 HA ASN A 42 11.857 -6.487 7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.510 -4.935 8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.143 -6.254 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.470 -2.879 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.169 -3.317 7.998 1.00 0.00 H new ATOM 670 N GLN A 43 10.658 -8.659 8.210 1.00 0.00 N ATOM 671 CA GLN A 43 10.052 -9.985 8.211 1.00 0.00 C ATOM 672 C GLN A 43 8.733 -9.981 8.977 1.00 0.00 C ATOM 673 O GLN A 43 7.729 -10.518 8.508 1.00 0.00 O ATOM 674 CB GLN A 43 11.010 -11.006 8.827 1.00 0.00 C ATOM 675 CG GLN A 43 10.687 -12.444 8.457 1.00 0.00 C ATOM 676 CD GLN A 43 11.878 -13.369 8.616 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.633 -13.597 7.670 1.00 0.00 O ATOM 678 NE2 GLN A 43 12.053 -13.909 9.817 1.00 0.00 N ATOM 0 H GLN A 43 11.577 -8.614 8.651 1.00 0.00 H new ATOM 0 HA GLN A 43 9.849 -10.265 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.027 -10.777 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.987 -10.905 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.869 -12.801 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.339 -12.480 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.403 -13.693 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.837 -14.540 9.983 1.00 0.00 H new ATOM 687 N LYS A 44 8.742 -9.372 10.158 1.00 0.00 N ATOM 688 CA LYS A 44 7.547 -9.297 10.989 1.00 0.00 C ATOM 689 C LYS A 44 6.362 -8.761 10.192 1.00 0.00 C ATOM 690 O LYS A 44 5.253 -9.287 10.282 1.00 0.00 O ATOM 691 CB LYS A 44 7.803 -8.404 12.206 1.00 0.00 C ATOM 692 CG LYS A 44 8.351 -7.033 11.849 1.00 0.00 C ATOM 693 CD LYS A 44 8.548 -6.172 13.086 1.00 0.00 C ATOM 694 CE LYS A 44 7.246 -5.516 13.521 1.00 0.00 C ATOM 695 NZ LYS A 44 7.486 -4.269 14.298 1.00 0.00 N ATOM 0 H LYS A 44 9.564 -8.923 10.561 1.00 0.00 H new ATOM 0 HA LYS A 44 7.307 -10.305 11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.872 -8.281 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.505 -8.905 12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.301 -7.145 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.667 -6.534 11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.937 -6.785 13.899 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.293 -5.403 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.644 -5.286 12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.671 -6.216 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.575 -3.852 14.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.039 -4.492 15.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.012 -3.590 13.711 1.00 0.00 H new ATOM 709 N ASP A 45 6.605 -7.714 9.412 1.00 0.00 N ATOM 710 CA ASP A 45 5.559 -7.108 8.597 1.00 0.00 C ATOM 711 C ASP A 45 5.333 -7.911 7.319 1.00 0.00 C ATOM 712 O ASP A 45 4.268 -7.837 6.706 1.00 0.00 O ATOM 713 CB ASP A 45 5.924 -5.664 8.249 1.00 0.00 C ATOM 714 CG ASP A 45 5.641 -4.706 9.389 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.529 -4.766 9.953 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.532 -3.894 9.717 1.00 0.00 O ATOM 0 H ASP A 45 7.518 -7.267 9.327 1.00 0.00 H new ATOM 0 HA ASP A 45 4.635 -7.111 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.981 -5.612 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.363 -5.352 7.368 1.00 0.00 H new ATOM 721 N LYS A 46 6.344 -8.676 6.921 1.00 0.00 N ATOM 722 CA LYS A 46 6.257 -9.493 5.716 1.00 0.00 C ATOM 723 C LYS A 46 5.069 -10.447 5.790 1.00 0.00 C ATOM 724 O LYS A 46 4.240 -10.491 4.883 1.00 0.00 O ATOM 725 CB LYS A 46 7.551 -10.286 5.519 1.00 0.00 C ATOM 726 CG LYS A 46 7.881 -10.559 4.061 1.00 0.00 C ATOM 727 CD LYS A 46 9.372 -10.771 3.858 1.00 0.00 C ATOM 728 CE LYS A 46 9.755 -12.233 4.029 1.00 0.00 C ATOM 729 NZ LYS A 46 9.222 -13.079 2.924 1.00 0.00 N ATOM 0 H LYS A 46 7.233 -8.747 7.415 1.00 0.00 H new ATOM 0 HA LYS A 46 6.113 -8.827 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.376 -9.737 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.470 -11.235 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.338 -11.441 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.544 -9.723 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.656 -10.433 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.928 -10.162 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.841 -12.322 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.375 -12.599 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.782 -13.953 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.229 -13.319 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.282 -12.557 2.027 1.00 0.00 H new ATOM 743 N ASN A 47 4.994 -11.208 6.877 1.00 0.00 N ATOM 744 CA ASN A 47 3.907 -12.161 7.069 1.00 0.00 C ATOM 745 C ASN A 47 2.573 -11.439 7.228 1.00 0.00 C ATOM 746 O ASN A 47 1.542 -11.905 6.743 1.00 0.00 O ATOM 747 CB ASN A 47 4.177 -13.034 8.296 1.00 0.00 C ATOM 748 CG ASN A 47 3.220 -14.206 8.394 1.00 0.00 C ATOM 749 OD1 ASN A 47 3.315 -15.165 7.628 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.291 -14.134 9.340 1.00 0.00 N ATOM 0 H ASN A 47 5.673 -11.183 7.638 1.00 0.00 H new ATOM 0 HA ASN A 47 3.853 -12.796 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.200 -13.407 8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.095 -12.425 9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.619 -14.893 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.249 -13.320 9.953 1.00 0.00 H new ATOM 757 N SER A 48 2.601 -10.299 7.910 1.00 0.00 N ATOM 758 CA SER A 48 1.393 -9.513 8.136 1.00 0.00 C ATOM 759 C SER A 48 0.826 -8.997 6.816 1.00 0.00 C ATOM 760 O SER A 48 -0.379 -8.777 6.688 1.00 0.00 O ATOM 761 CB SER A 48 1.690 -8.339 9.071 1.00 0.00 C ATOM 762 OG SER A 48 2.145 -8.795 10.333 1.00 0.00 O ATOM 0 H SER A 48 3.447 -9.899 8.316 1.00 0.00 H new ATOM 0 HA SER A 48 0.650 -10.160 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.444 -7.693 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.791 -7.737 9.201 1.00 0.00 H new ATOM 0 HG SER A 48 3.110 -8.959 10.293 1.00 0.00 H new ATOM 768 N LEU A 49 1.704 -8.804 5.838 1.00 0.00 N ATOM 769 CA LEU A 49 1.293 -8.313 4.527 1.00 0.00 C ATOM 770 C LEU A 49 0.040 -9.035 4.044 1.00 0.00 C ATOM 771 O LEU A 49 -1.001 -8.417 3.827 1.00 0.00 O ATOM 772 CB LEU A 49 2.424 -8.497 3.514 1.00 0.00 C ATOM 773 CG LEU A 49 2.333 -7.649 2.245 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.127 -8.290 1.117 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.880 -7.458 1.835 1.00 0.00 C ATOM 0 H LEU A 49 2.705 -8.980 5.928 1.00 0.00 H new ATOM 0 HA LEU A 49 1.065 -7.251 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.369 -8.273 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.457 -9.547 3.224 1.00 0.00 H new ATOM 0 HG LEU A 49 2.763 -6.669 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.051 -7.673 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.173 -8.375 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.727 -9.282 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.834 -6.852 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.425 -8.430 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.339 -6.955 2.636 1.00 0.00 H new ATOM 787 N GLY A 50 0.147 -10.350 3.878 1.00 0.00 N ATOM 788 CA GLY A 50 -0.985 -11.136 3.424 1.00 0.00 C ATOM 789 C GLY A 50 -2.259 -10.806 4.176 1.00 0.00 C ATOM 790 O GLY A 50 -3.352 -10.861 3.614 1.00 0.00 O ATOM 0 H GLY A 50 0.998 -10.885 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.140 -10.963 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.760 -12.196 3.545 1.00 0.00 H new ATOM 794 N ALA A 51 -2.119 -10.465 5.453 1.00 0.00 N ATOM 795 CA ALA A 51 -3.267 -10.126 6.284 1.00 0.00 C ATOM 796 C ALA A 51 -3.802 -8.739 5.941 1.00 0.00 C ATOM 797 O ALA A 51 -5.013 -8.529 5.878 1.00 0.00 O ATOM 798 CB ALA A 51 -2.894 -10.200 7.757 1.00 0.00 C ATOM 0 H ALA A 51 -1.221 -10.416 5.934 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.055 -10.851 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.762 -9.944 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.566 -11.211 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.086 -9.498 7.964 1.00 0.00 H new ATOM 804 N ILE A 52 -2.891 -7.797 5.721 1.00 0.00 N ATOM 805 CA ILE A 52 -3.272 -6.431 5.385 1.00 0.00 C ATOM 806 C ILE A 52 -3.929 -6.366 4.010 1.00 0.00 C ATOM 807 O ILE A 52 -4.920 -5.661 3.816 1.00 0.00 O ATOM 808 CB ILE A 52 -2.056 -5.486 5.405 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.420 -5.468 6.797 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.469 -4.082 4.988 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.072 -4.784 6.836 1.00 0.00 C ATOM 0 H ILE A 52 -1.884 -7.955 5.769 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.986 -6.107 6.142 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.317 -5.853 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.094 -4.964 7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.309 -6.493 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.599 -3.426 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.881 -4.109 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.223 -3.704 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.319 -4.809 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.618 -5.301 6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.180 -3.748 6.514 1.00 0.00 H new ATOM 823 N LEU A 53 -3.372 -7.107 3.059 1.00 0.00 N ATOM 824 CA LEU A 53 -3.904 -7.136 1.701 1.00 0.00 C ATOM 825 C LEU A 53 -5.398 -7.442 1.709 1.00 0.00 C ATOM 826 O LEU A 53 -6.151 -6.925 0.884 1.00 0.00 O ATOM 827 CB LEU A 53 -3.162 -8.179 0.864 1.00 0.00 C ATOM 828 CG LEU A 53 -1.861 -7.714 0.211 1.00 0.00 C ATOM 829 CD1 LEU A 53 -0.994 -8.906 -0.162 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.154 -6.861 -1.015 1.00 0.00 C ATOM 0 H LEU A 53 -2.552 -7.696 3.203 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.756 -6.151 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.939 -9.035 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.833 -8.531 0.080 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.314 -7.105 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.072 -8.555 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.754 -9.477 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.533 -9.543 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.216 -6.539 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.723 -7.446 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.734 -5.986 -0.720 1.00 0.00 H new ATOM 842 N GLN A 54 -5.820 -8.284 2.647 1.00 0.00 N ATOM 843 CA GLN A 54 -7.225 -8.657 2.762 1.00 0.00 C ATOM 844 C GLN A 54 -7.971 -7.693 3.678 1.00 0.00 C ATOM 845 O GLN A 54 -9.201 -7.658 3.687 1.00 0.00 O ATOM 846 CB GLN A 54 -7.353 -10.086 3.293 1.00 0.00 C ATOM 847 CG GLN A 54 -8.742 -10.419 3.814 1.00 0.00 C ATOM 848 CD GLN A 54 -9.080 -11.890 3.672 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.195 -12.730 3.506 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.367 -12.211 3.738 1.00 0.00 N ATOM 0 H GLN A 54 -5.210 -8.720 3.338 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.671 -8.604 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.095 -10.785 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.629 -10.233 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.810 -10.134 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.480 -9.826 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.068 -11.483 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.655 -13.186 3.650 1.00 0.00 H new ATOM 859 N GLN A 55 -7.218 -6.912 4.446 1.00 0.00 N ATOM 860 CA GLN A 55 -7.809 -5.948 5.366 1.00 0.00 C ATOM 861 C GLN A 55 -7.992 -4.592 4.691 1.00 0.00 C ATOM 862 O GLN A 55 -8.838 -3.795 5.096 1.00 0.00 O ATOM 863 CB GLN A 55 -6.934 -5.797 6.612 1.00 0.00 C ATOM 864 CG GLN A 55 -6.950 -7.017 7.518 1.00 0.00 C ATOM 865 CD GLN A 55 -8.122 -7.015 8.480 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.001 -7.875 8.408 1.00 0.00 O ATOM 867 NE2 GLN A 55 -8.141 -6.046 9.388 1.00 0.00 N ATOM 0 H GLN A 55 -6.198 -6.928 4.449 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.789 -6.321 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.908 -5.598 6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.271 -4.929 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.989 -7.918 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.020 -7.056 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.392 -5.354 9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.905 -5.994 10.062 1.00 0.00 H new ATOM 876 N VAL A 56 -7.193 -4.338 3.660 1.00 0.00 N ATOM 877 CA VAL A 56 -7.266 -3.079 2.928 1.00 0.00 C ATOM 878 C VAL A 56 -7.601 -3.316 1.460 1.00 0.00 C ATOM 879 O VAL A 56 -8.209 -2.469 0.807 1.00 0.00 O ATOM 880 CB VAL A 56 -5.943 -2.297 3.022 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.573 -2.045 4.476 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.830 -3.044 2.302 1.00 0.00 C ATOM 0 H VAL A 56 -6.487 -4.987 3.313 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.060 -2.491 3.388 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.077 -1.332 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.635 -1.491 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.361 -1.465 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.457 -2.998 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.902 -2.477 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.695 -4.024 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.094 -3.167 1.252 1.00 0.00 H new ATOM 892 N ALA A 57 -7.199 -4.474 0.947 1.00 0.00 N ATOM 893 CA ALA A 57 -7.458 -4.824 -0.444 1.00 0.00 C ATOM 894 C ALA A 57 -8.246 -6.126 -0.545 1.00 0.00 C ATOM 895 O ALA A 57 -8.538 -6.766 0.464 1.00 0.00 O ATOM 896 CB ALA A 57 -6.150 -4.936 -1.213 1.00 0.00 C ATOM 0 H ALA A 57 -6.693 -5.186 1.474 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.060 -4.030 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.359 -5.198 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.625 -3.982 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.528 -5.709 -0.762 1.00 0.00 H new ATOM 902 N ASN A 58 -8.589 -6.511 -1.770 1.00 0.00 N ATOM 903 CA ASN A 58 -9.345 -7.737 -2.003 1.00 0.00 C ATOM 904 C ASN A 58 -8.668 -8.601 -3.062 1.00 0.00 C ATOM 905 O ASN A 58 -8.328 -8.122 -4.145 1.00 0.00 O ATOM 906 CB ASN A 58 -10.774 -7.404 -2.436 1.00 0.00 C ATOM 907 CG ASN A 58 -11.631 -6.924 -1.281 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.798 -7.625 -0.283 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.180 -5.722 -1.411 1.00 0.00 N ATOM 0 H ASN A 58 -8.356 -5.992 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.377 -8.298 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.747 -6.636 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.231 -8.288 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.767 -5.346 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.015 -5.175 -2.256 1.00 0.00 H new ATOM 916 N LEU A 59 -8.477 -9.876 -2.744 1.00 0.00 N ATOM 917 CA LEU A 59 -7.841 -10.809 -3.669 1.00 0.00 C ATOM 918 C LEU A 59 -8.829 -11.279 -4.732 1.00 0.00 C ATOM 919 O LEU A 59 -9.963 -11.642 -4.422 1.00 0.00 O ATOM 920 CB LEU A 59 -7.283 -12.012 -2.907 1.00 0.00 C ATOM 921 CG LEU A 59 -6.100 -12.728 -3.559 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.692 -13.942 -2.737 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.442 -13.137 -4.984 1.00 0.00 C ATOM 0 H LEU A 59 -8.753 -10.288 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.021 -10.289 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.979 -11.679 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.088 -12.734 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.257 -12.038 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.849 -14.439 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.404 -13.623 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.531 -14.635 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.588 -13.645 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.300 -13.810 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.684 -12.250 -5.569 1.00 0.00 H new ATOM 935 N ASN A 60 -8.389 -11.271 -5.986 1.00 0.00 N ATOM 936 CA ASN A 60 -9.233 -11.699 -7.095 1.00 0.00 C ATOM 937 C ASN A 60 -8.694 -12.977 -7.728 1.00 0.00 C ATOM 938 O ASN A 60 -7.732 -12.944 -8.495 1.00 0.00 O ATOM 939 CB ASN A 60 -9.325 -10.593 -8.149 1.00 0.00 C ATOM 940 CG ASN A 60 -10.635 -10.629 -8.912 1.00 0.00 C ATOM 941 OD1 ASN A 60 -10.944 -11.607 -9.592 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.412 -9.557 -8.802 1.00 0.00 N ATOM 0 H ASN A 60 -7.453 -10.973 -6.259 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.230 -11.902 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.217 -9.623 -7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.496 -10.693 -8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.305 -9.522 -9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.115 -8.769 -8.227 1.00 0.00 H new ATOM 949 N SER A 61 -9.321 -14.103 -7.402 1.00 0.00 N ATOM 950 CA SER A 61 -8.902 -15.394 -7.936 1.00 0.00 C ATOM 951 C SER A 61 -8.658 -15.307 -9.439 1.00 0.00 C ATOM 952 O SER A 61 -7.831 -16.033 -9.989 1.00 0.00 O ATOM 953 CB SER A 61 -9.960 -16.459 -7.640 1.00 0.00 C ATOM 954 OG SER A 61 -9.854 -16.927 -6.307 1.00 0.00 O ATOM 0 H SER A 61 -10.121 -14.147 -6.771 1.00 0.00 H new ATOM 0 HA SER A 61 -7.968 -15.675 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.954 -16.044 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.844 -17.293 -8.332 1.00 0.00 H new ATOM 0 HG SER A 61 -10.542 -17.605 -6.143 1.00 0.00 H new ATOM 960 N LYS A 62 -9.385 -14.411 -10.099 1.00 0.00 N ATOM 961 CA LYS A 62 -9.249 -14.226 -11.539 1.00 0.00 C ATOM 962 C LYS A 62 -7.780 -14.133 -11.939 1.00 0.00 C ATOM 963 O LYS A 62 -7.258 -15.012 -12.626 1.00 0.00 O ATOM 964 CB LYS A 62 -9.990 -12.963 -11.983 1.00 0.00 C ATOM 965 CG LYS A 62 -10.166 -12.858 -13.488 1.00 0.00 C ATOM 966 CD LYS A 62 -8.939 -12.255 -14.152 1.00 0.00 C ATOM 967 CE LYS A 62 -9.093 -12.201 -15.664 1.00 0.00 C ATOM 968 NZ LYS A 62 -7.779 -12.064 -16.351 1.00 0.00 N ATOM 0 H LYS A 62 -10.075 -13.802 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.688 -15.092 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.971 -12.942 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.445 -12.088 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.356 -13.848 -13.903 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.040 -12.246 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.773 -11.249 -13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.059 -12.845 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.591 -13.106 -16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.733 -11.361 -15.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.927 -12.031 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.314 -11.187 -16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.177 -12.878 -16.114 1.00 0.00 H new ATOM 982 N ASP A 63 -7.119 -13.066 -11.504 1.00 0.00 N ATOM 983 CA ASP A 63 -5.709 -12.861 -11.815 1.00 0.00 C ATOM 984 C ASP A 63 -4.871 -12.827 -10.541 1.00 0.00 C ATOM 985 O ASP A 63 -3.769 -12.276 -10.525 1.00 0.00 O ATOM 986 CB ASP A 63 -5.522 -11.561 -12.599 1.00 0.00 C ATOM 987 CG ASP A 63 -6.260 -10.395 -11.971 1.00 0.00 C ATOM 988 OD1 ASP A 63 -6.878 -10.589 -10.903 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.219 -9.288 -12.547 1.00 0.00 O ATOM 0 H ASP A 63 -7.537 -12.330 -10.935 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.372 -13.697 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.459 -11.325 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.874 -11.702 -13.621 1.00 0.00 H new ATOM 994 N LEU A 64 -5.400 -13.417 -9.475 1.00 0.00 N ATOM 995 CA LEU A 64 -4.702 -13.454 -8.195 1.00 0.00 C ATOM 996 C LEU A 64 -4.118 -12.086 -7.854 1.00 0.00 C ATOM 997 O LEU A 64 -3.079 -11.989 -7.200 1.00 0.00 O ATOM 998 CB LEU A 64 -3.588 -14.502 -8.229 1.00 0.00 C ATOM 999 CG LEU A 64 -4.012 -15.941 -7.935 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -2.996 -16.923 -8.499 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.183 -16.150 -6.437 1.00 0.00 C ATOM 0 H LEU A 64 -6.311 -13.877 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.423 -13.724 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.122 -14.476 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.824 -14.215 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.971 -16.124 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.315 -17.942 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.922 -16.790 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.023 -16.741 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.485 -17.180 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.239 -15.949 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.948 -15.471 -6.060 1.00 0.00 H new ATOM 1013 N SER A 65 -4.794 -11.032 -8.300 1.00 0.00 N ATOM 1014 CA SER A 65 -4.342 -9.670 -8.043 1.00 0.00 C ATOM 1015 C SER A 65 -5.164 -9.025 -6.931 1.00 0.00 C ATOM 1016 O SER A 65 -6.388 -9.148 -6.897 1.00 0.00 O ATOM 1017 CB SER A 65 -4.440 -8.829 -9.317 1.00 0.00 C ATOM 1018 OG SER A 65 -5.764 -8.371 -9.526 1.00 0.00 O ATOM 0 H SER A 65 -5.656 -11.095 -8.841 1.00 0.00 H new ATOM 0 HA SER A 65 -3.301 -9.714 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.764 -7.977 -9.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.118 -9.422 -10.173 1.00 0.00 H new ATOM 0 HG SER A 65 -6.317 -9.109 -9.859 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.481 -8.338 -6.022 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.146 -7.675 -4.906 1.00 0.00 C ATOM 1026 C TYR A 66 -5.551 -6.253 -5.280 1.00 0.00 C ATOM 1027 O TYR A 66 -4.709 -5.424 -5.626 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.230 -7.651 -3.681 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.056 -9.003 -3.027 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -3.039 -9.862 -3.423 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -4.911 -9.422 -2.015 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -2.877 -11.099 -2.829 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -4.756 -10.656 -1.414 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.737 -11.491 -1.825 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.580 -12.722 -1.230 1.00 0.00 O ATOM 0 H TYR A 66 -3.467 -8.226 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.048 -8.239 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.252 -7.272 -3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.635 -6.952 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.363 -9.558 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.711 -8.772 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.081 -11.755 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.428 -10.965 -0.627 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.097 -12.752 -0.398 1.00 0.00 H new ATOM 1045 N THR A 67 -6.850 -5.977 -5.209 1.00 0.00 N ATOM 1046 CA THR A 67 -7.370 -4.656 -5.540 1.00 0.00 C ATOM 1047 C THR A 67 -7.691 -3.860 -4.280 1.00 0.00 C ATOM 1048 O THR A 67 -8.450 -4.314 -3.423 1.00 0.00 O ATOM 1049 CB THR A 67 -8.638 -4.754 -6.409 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.710 -5.322 -5.649 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.382 -5.600 -7.646 1.00 0.00 C ATOM 0 H THR A 67 -7.561 -6.651 -4.925 1.00 0.00 H new ATOM 0 HA THR A 67 -6.591 -4.141 -6.103 1.00 0.00 H new ATOM 0 HB THR A 67 -8.912 -3.748 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.538 -5.191 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.292 -5.655 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.586 -5.148 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.085 -6.605 -7.345 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.108 -2.671 -4.173 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.333 -1.810 -3.017 1.00 0.00 C ATOM 1061 C LEU A 68 -8.823 -1.560 -2.806 1.00 0.00 C ATOM 1062 O LEU A 68 -9.532 -1.152 -3.726 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.602 -0.479 -3.198 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.127 0.206 -1.916 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.037 1.711 -2.116 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.057 -0.125 -0.759 1.00 0.00 C ATOM 0 H LEU A 68 -6.476 -2.281 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.940 -2.317 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.736 -0.647 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.263 0.206 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.132 -0.168 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.697 2.181 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.330 1.930 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.019 2.102 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.704 0.371 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.064 0.220 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.070 -1.203 -0.600 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.292 -1.806 -1.587 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.696 -1.604 -1.252 1.00 0.00 C ATOM 1080 C LYS A 69 -11.158 -0.208 -1.657 1.00 0.00 C ATOM 1081 O LYS A 69 -10.408 0.549 -2.274 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.919 -1.812 0.248 1.00 0.00 C ATOM 1083 CG LYS A 69 -10.949 -3.273 0.662 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.806 -3.429 2.167 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.648 -4.888 2.563 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.962 -5.535 2.833 1.00 0.00 N ATOM 0 H LYS A 69 -8.719 -2.146 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.284 -2.336 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.127 -1.303 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.860 -1.342 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.885 -3.725 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.144 -3.811 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.942 -2.862 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.682 -3.009 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.135 -5.427 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.020 -4.957 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.811 -6.529 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.441 -5.037 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.552 -5.492 1.978 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.394 0.127 -1.306 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.954 1.433 -1.630 1.00 0.00 C ATOM 1102 C ASP A 70 -12.800 2.397 -0.458 1.00 0.00 C ATOM 1103 O ASP A 70 -12.157 3.440 -0.578 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.431 1.300 -2.007 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.222 0.518 -0.977 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.806 -0.610 -0.641 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.258 1.034 -0.508 1.00 0.00 O ATOM 0 H ASP A 70 -13.028 -0.489 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.405 1.835 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.866 2.293 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.513 0.807 -2.975 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.396 2.042 0.675 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.329 2.877 1.869 1.00 0.00 C ATOM 1114 C TYR A 71 -11.887 3.269 2.178 1.00 0.00 C ATOM 1115 O TYR A 71 -11.599 4.423 2.493 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.938 2.144 3.065 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.924 1.383 3.889 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.525 0.102 3.526 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.366 1.944 5.031 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.599 -0.597 4.277 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.439 1.253 5.787 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.059 -0.017 5.406 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.137 -0.710 6.156 1.00 0.00 O ATOM 0 H TYR A 71 -13.931 1.182 0.792 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.901 3.785 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.444 2.867 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.697 1.449 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.946 -0.355 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.662 2.938 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.300 -1.592 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.014 1.705 6.671 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.855 -0.160 6.917 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.984 2.298 2.086 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.571 2.539 2.354 1.00 0.00 C ATOM 1135 C VAL A 72 -9.088 3.805 1.655 1.00 0.00 C ATOM 1136 O VAL A 72 -8.277 4.556 2.198 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.702 1.352 1.900 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.231 1.637 2.156 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.136 0.075 2.604 1.00 0.00 C ATOM 0 H VAL A 72 -11.206 1.337 1.828 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.470 2.661 3.432 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.839 1.214 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.633 0.786 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.931 2.526 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.073 1.803 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.511 -0.754 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.030 0.200 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.178 -0.137 2.364 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.592 4.037 0.447 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.211 5.212 -0.327 1.00 0.00 C ATOM 1151 C PHE A 73 -9.260 6.470 0.534 1.00 0.00 C ATOM 1152 O PHE A 73 -8.461 7.390 0.356 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.134 5.372 -1.537 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.905 4.343 -2.607 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.632 4.110 -3.101 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.963 3.608 -3.118 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.417 3.163 -4.085 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.754 2.659 -4.101 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.480 2.437 -4.586 1.00 0.00 C ATOM 0 H PHE A 73 -10.265 3.427 -0.017 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.188 5.071 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.170 5.313 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.992 6.365 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.797 4.675 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.962 3.779 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.419 2.991 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.587 2.091 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.315 1.697 -5.355 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.204 6.504 1.468 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.359 7.648 2.359 1.00 0.00 C ATOM 1171 C LYS A 74 -9.212 7.717 3.361 1.00 0.00 C ATOM 1172 O LYS A 74 -8.809 8.800 3.783 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.695 7.564 3.102 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.619 6.786 4.404 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.967 6.736 5.104 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.976 5.919 4.312 1.00 0.00 C ATOM 1177 NZ LYS A 74 -15.155 5.541 5.140 1.00 0.00 N ATOM 0 H LYS A 74 -10.874 5.752 1.628 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.343 8.554 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.049 8.573 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.434 7.096 2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.275 5.772 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.883 7.248 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.847 6.304 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.345 7.749 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.309 6.492 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.495 5.018 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.820 4.985 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.841 4.972 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.629 6.401 5.482 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.689 6.553 3.737 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.587 6.484 4.689 1.00 0.00 C ATOM 1193 C GLU A 75 -6.303 7.037 4.077 1.00 0.00 C ATOM 1194 O GLU A 75 -5.507 7.686 4.757 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.367 5.039 5.143 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.583 4.419 5.811 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.211 3.380 6.851 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.417 2.472 6.523 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.713 3.473 7.990 1.00 0.00 O ATOM 0 H GLU A 75 -9.011 5.647 3.397 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.849 7.094 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.089 4.434 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.527 5.009 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.174 5.204 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.214 3.958 5.052 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.109 6.775 2.789 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.922 7.246 2.083 1.00 0.00 C ATOM 1208 C LEU A 76 -4.573 8.673 2.496 1.00 0.00 C ATOM 1209 O LEU A 76 -5.449 9.451 2.872 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.143 7.179 0.571 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.389 5.787 -0.011 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.826 5.885 -1.464 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -4.139 4.928 0.115 1.00 0.00 C ATOM 0 H LEU A 76 -6.758 6.239 2.212 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.089 6.596 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.995 7.811 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.271 7.608 0.077 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.190 5.314 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.996 4.884 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.748 6.463 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.047 6.378 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.332 3.941 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.318 5.398 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.870 4.829 1.167 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.289 9.008 2.419 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.826 10.342 2.783 1.00 0.00 C ATOM 1227 C GLN A 77 -2.346 11.106 1.553 1.00 0.00 C ATOM 1228 O GLN A 77 -1.269 10.833 1.023 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.699 10.250 3.813 1.00 0.00 C ATOM 1230 CG GLN A 77 -2.055 9.414 5.032 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.986 9.461 6.105 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -1.064 10.255 7.042 1.00 0.00 O ATOM 1233 NE2 GLN A 77 0.023 8.606 5.973 1.00 0.00 N ATOM 0 H GLN A 77 -2.552 8.375 2.108 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.665 10.884 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.816 9.824 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.432 11.256 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.998 9.769 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.211 8.380 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.048 7.965 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.773 8.591 6.665 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.152 12.063 1.105 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.810 12.865 -0.063 1.00 0.00 C ATOM 1244 C ARG A 78 -1.361 13.339 0.008 1.00 0.00 C ATOM 1245 O ARG A 78 -0.741 13.628 -1.015 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.747 14.069 -0.174 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.097 13.735 -0.787 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.721 14.950 -1.457 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.496 15.756 -0.517 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.108 16.887 -0.850 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.036 17.342 -2.093 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -7.795 17.564 0.062 1.00 0.00 N ATOM 0 H ARG A 78 -4.046 12.302 1.533 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.927 12.240 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.903 14.490 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.265 14.840 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.978 12.936 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.767 13.361 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.936 15.563 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.367 14.623 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.571 15.433 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.510 16.823 -2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.507 18.211 -2.346 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.853 17.216 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.265 18.432 -0.194 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.829 13.418 1.223 1.00 0.00 N ATOM 1267 CA ASP A 79 0.546 13.856 1.428 1.00 0.00 C ATOM 1268 C ASP A 79 1.491 12.662 1.508 1.00 0.00 C ATOM 1269 O ASP A 79 2.543 12.731 2.144 1.00 0.00 O ATOM 1270 CB ASP A 79 0.652 14.692 2.705 1.00 0.00 C ATOM 1271 CG ASP A 79 0.216 16.129 2.494 1.00 0.00 C ATOM 1272 OD1 ASP A 79 0.499 16.683 1.411 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.410 16.699 3.412 1.00 0.00 O ATOM 0 H ASP A 79 -1.329 13.184 2.081 1.00 0.00 H new ATOM 0 HA ASP A 79 0.837 14.470 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.038 14.240 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.682 14.676 3.062 1.00 0.00 H new ATOM 1278 N TRP A 80 1.109 11.567 0.860 1.00 0.00 N ATOM 1279 CA TRP A 80 1.923 10.357 0.859 1.00 0.00 C ATOM 1280 C TRP A 80 3.214 10.569 0.076 1.00 0.00 C ATOM 1281 O TRP A 80 3.206 10.756 -1.141 1.00 0.00 O ATOM 1282 CB TRP A 80 1.135 9.189 0.261 1.00 0.00 C ATOM 1283 CG TRP A 80 1.899 7.900 0.254 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.293 7.186 -0.842 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.358 7.170 1.397 1.00 0.00 C ATOM 1286 NE1 TRP A 80 2.969 6.057 -0.449 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.024 6.024 0.920 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.274 7.374 2.777 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.599 5.088 1.774 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.846 6.443 3.624 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.502 5.312 3.121 1.00 0.00 C ATOM 0 H TRP A 80 0.241 11.492 0.329 1.00 0.00 H new ATOM 0 HA TRP A 80 2.182 10.122 1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.213 9.054 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.848 9.439 -0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.101 7.468 -1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.366 5.356 -1.075 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.771 8.243 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.104 4.215 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.786 6.590 4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.939 4.603 3.809 1.00 0.00 H new ATOM 1302 N PRO A 81 4.350 10.540 0.788 1.00 0.00 N ATOM 1303 CA PRO A 81 5.670 10.727 0.179 1.00 0.00 C ATOM 1304 C PRO A 81 6.076 9.549 -0.700 1.00 0.00 C ATOM 1305 O PRO A 81 7.170 9.528 -1.261 1.00 0.00 O ATOM 1306 CB PRO A 81 6.605 10.841 1.386 1.00 0.00 C ATOM 1307 CG PRO A 81 5.903 10.110 2.478 1.00 0.00 C ATOM 1308 CD PRO A 81 4.434 10.323 2.242 1.00 0.00 C ATOM 0 HA PRO A 81 5.695 11.595 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.579 10.399 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.779 11.883 1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.151 9.049 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.200 10.490 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.847 9.459 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.058 11.181 2.799 1.00 0.00 H new ATOM 1316 N GLY A 82 5.184 8.569 -0.816 1.00 0.00 N ATOM 1317 CA GLY A 82 5.468 7.400 -1.629 1.00 0.00 C ATOM 1318 C GLY A 82 4.880 7.506 -3.022 1.00 0.00 C ATOM 1319 O GLY A 82 4.664 6.495 -3.690 1.00 0.00 O ATOM 0 H GLY A 82 4.271 8.564 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.547 7.266 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.070 6.513 -1.136 1.00 0.00 H new ATOM 1323 N TYR A 83 4.619 8.732 -3.460 1.00 0.00 N ATOM 1324 CA TYR A 83 4.048 8.966 -4.781 1.00 0.00 C ATOM 1325 C TYR A 83 4.958 9.860 -5.618 1.00 0.00 C ATOM 1326 O TYR A 83 5.250 10.995 -5.240 1.00 0.00 O ATOM 1327 CB TYR A 83 2.663 9.604 -4.656 1.00 0.00 C ATOM 1328 CG TYR A 83 1.595 8.643 -4.183 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.499 7.364 -4.716 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.682 9.016 -3.205 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.524 6.483 -4.288 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.295 8.141 -2.769 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.370 6.876 -3.314 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.343 6.003 -2.884 1.00 0.00 O ATOM 0 H TYR A 83 4.794 9.579 -2.920 1.00 0.00 H new ATOM 0 HA TYR A 83 3.953 8.003 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.719 10.442 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.371 10.011 -5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.198 7.053 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.736 10.007 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.462 5.492 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.996 8.446 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.220 5.135 -3.322 1.00 0.00 H new ATOM 1344 N SER A 84 5.403 9.340 -6.757 1.00 0.00 N ATOM 1345 CA SER A 84 6.282 10.089 -7.647 1.00 0.00 C ATOM 1346 C SER A 84 5.559 11.295 -8.238 1.00 0.00 C ATOM 1347 O SER A 84 4.330 11.357 -8.235 1.00 0.00 O ATOM 1348 CB SER A 84 6.794 9.186 -8.771 1.00 0.00 C ATOM 1349 OG SER A 84 7.677 8.198 -8.269 1.00 0.00 O ATOM 0 H SER A 84 5.169 8.403 -7.085 1.00 0.00 H new ATOM 0 HA SER A 84 7.130 10.447 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.951 8.706 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.306 9.789 -9.521 1.00 0.00 H new ATOM 0 HG SER A 84 7.989 7.633 -9.006 1.00 0.00 H new ATOM 1355 N GLU A 85 6.331 12.252 -8.743 1.00 0.00 N ATOM 1356 CA GLU A 85 5.764 13.457 -9.337 1.00 0.00 C ATOM 1357 C GLU A 85 4.523 13.125 -10.161 1.00 0.00 C ATOM 1358 O GLU A 85 3.619 13.949 -10.300 1.00 0.00 O ATOM 1359 CB GLU A 85 6.802 14.156 -10.216 1.00 0.00 C ATOM 1360 CG GLU A 85 6.206 15.193 -11.154 1.00 0.00 C ATOM 1361 CD GLU A 85 5.749 16.443 -10.426 1.00 0.00 C ATOM 1362 OE1 GLU A 85 6.404 16.824 -9.434 1.00 0.00 O ATOM 1363 OE2 GLU A 85 4.736 17.038 -10.849 1.00 0.00 O ATOM 0 H GLU A 85 7.350 12.216 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 85 5.473 14.128 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.541 14.639 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.331 13.407 -10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.946 15.465 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.360 14.755 -11.683 1.00 0.00 H new ATOM 1370 N ILE A 86 4.489 11.914 -10.706 1.00 0.00 N ATOM 1371 CA ILE A 86 3.360 11.473 -11.516 1.00 0.00 C ATOM 1372 C ILE A 86 2.317 10.759 -10.663 1.00 0.00 C ATOM 1373 O ILE A 86 1.136 11.107 -10.688 1.00 0.00 O ATOM 1374 CB ILE A 86 3.813 10.531 -12.648 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.914 11.191 -13.480 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.631 10.153 -13.527 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.302 10.998 -12.909 1.00 0.00 C ATOM 0 H ILE A 86 5.230 11.221 -10.602 1.00 0.00 H new ATOM 0 HA ILE A 86 2.917 12.368 -11.954 1.00 0.00 H new ATOM 0 HB ILE A 86 4.216 9.621 -12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.886 10.785 -14.491 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.708 12.258 -13.559 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.967 9.487 -14.322 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.877 9.647 -12.925 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.201 11.054 -13.965 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.031 11.492 -13.551 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.347 11.429 -11.909 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.529 9.933 -12.856 1.00 0.00 H new ATOM 1389 N ASP A 87 2.761 9.760 -9.908 1.00 0.00 N ATOM 1390 CA ASP A 87 1.866 8.999 -9.044 1.00 0.00 C ATOM 1391 C ASP A 87 0.868 9.920 -8.349 1.00 0.00 C ATOM 1392 O ASP A 87 -0.344 9.741 -8.468 1.00 0.00 O ATOM 1393 CB ASP A 87 2.670 8.219 -8.003 1.00 0.00 C ATOM 1394 CG ASP A 87 3.662 7.263 -8.635 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.454 6.880 -9.805 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.646 6.896 -7.959 1.00 0.00 O ATOM 0 H ASP A 87 3.735 9.458 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 87 1.312 8.296 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.204 8.920 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.986 7.659 -7.365 1.00 0.00 H new ATOM 1401 N ARG A 88 1.386 10.905 -7.623 1.00 0.00 N ATOM 1402 CA ARG A 88 0.541 11.852 -6.906 1.00 0.00 C ATOM 1403 C ARG A 88 -0.625 12.308 -7.779 1.00 0.00 C ATOM 1404 O ARG A 88 -1.789 12.153 -7.409 1.00 0.00 O ATOM 1405 CB ARG A 88 1.361 13.063 -6.459 1.00 0.00 C ATOM 1406 CG ARG A 88 2.507 12.711 -5.525 1.00 0.00 C ATOM 1407 CD ARG A 88 3.246 13.954 -5.055 1.00 0.00 C ATOM 1408 NE ARG A 88 2.373 14.864 -4.318 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.803 15.965 -3.712 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.087 16.292 -3.756 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.947 16.742 -3.060 1.00 0.00 N ATOM 0 H ARG A 88 2.387 11.068 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 88 0.140 11.349 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.762 13.565 -7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.702 13.773 -5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.121 12.168 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.202 12.045 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.082 13.660 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.667 14.473 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 88 1.379 14.642 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.748 15.697 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.414 17.138 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.958 16.494 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.278 17.587 -2.595 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.304 12.872 -8.939 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.324 13.352 -9.863 1.00 0.00 C ATOM 1427 C ARG A 89 -2.158 12.194 -10.402 1.00 0.00 C ATOM 1428 O ARG A 89 -3.286 12.386 -10.855 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.675 14.110 -11.023 1.00 0.00 C ATOM 1430 CG ARG A 89 0.018 13.206 -12.030 1.00 0.00 C ATOM 1431 CD ARG A 89 0.000 13.811 -13.425 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.275 13.590 -14.102 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.582 14.118 -15.282 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.710 14.893 -15.912 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -2.763 13.870 -15.833 1.00 0.00 N ATOM 0 H ARG A 89 0.654 13.008 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.982 14.029 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.439 14.694 -11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.051 14.817 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.049 13.036 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.474 12.234 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.194 14.882 -13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.805 13.378 -14.018 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.968 12.998 -13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.199 15.085 -15.491 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.948 15.297 -16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.436 13.274 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.998 14.275 -16.739 1.00 0.00 H new ATOM 1449 N SER A 90 -1.594 10.991 -10.351 1.00 0.00 N ATOM 1450 CA SER A 90 -2.284 9.802 -10.838 1.00 0.00 C ATOM 1451 C SER A 90 -3.222 9.244 -9.772 1.00 0.00 C ATOM 1452 O SER A 90 -4.109 8.441 -10.067 1.00 0.00 O ATOM 1453 CB SER A 90 -1.271 8.733 -11.252 1.00 0.00 C ATOM 1454 OG SER A 90 -0.914 8.871 -12.617 1.00 0.00 O ATOM 0 H SER A 90 -0.661 10.814 -9.977 1.00 0.00 H new ATOM 0 HA SER A 90 -2.877 10.086 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.380 8.812 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.692 7.742 -11.081 1.00 0.00 H new ATOM 0 HG SER A 90 -0.264 8.178 -12.857 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.020 9.673 -8.531 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.847 9.217 -7.419 1.00 0.00 C ATOM 1462 C LEU A 91 -5.030 10.155 -7.200 1.00 0.00 C ATOM 1463 O LEU A 91 -6.171 9.711 -7.073 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.012 9.124 -6.141 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.761 9.368 -4.831 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.119 8.587 -3.695 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.796 10.854 -4.505 1.00 0.00 C ATOM 0 H LEU A 91 -2.290 10.336 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.232 8.228 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.559 8.134 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.197 9.845 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.786 9.018 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.666 8.773 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.147 7.522 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.084 8.905 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.333 11.009 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.777 11.229 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.303 11.391 -5.307 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.750 11.454 -7.159 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.791 12.454 -6.957 1.00 0.00 C ATOM 1481 C GLU A 92 -7.024 12.133 -7.798 1.00 0.00 C ATOM 1482 O GLU A 92 -8.133 12.562 -7.481 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.268 13.847 -7.311 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.900 14.005 -8.776 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.614 15.446 -9.154 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.529 15.949 -8.795 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.475 16.070 -9.809 1.00 0.00 O ATOM 0 H GLU A 92 -3.811 11.838 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.075 12.438 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.026 14.587 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.392 14.063 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.023 13.395 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.714 13.626 -9.394 1.00 0.00 H new ATOM 1494 N SER A 93 -6.820 11.377 -8.871 1.00 0.00 N ATOM 1495 CA SER A 93 -7.913 11.002 -9.761 1.00 0.00 C ATOM 1496 C SER A 93 -8.777 9.914 -9.131 1.00 0.00 C ATOM 1497 O SER A 93 -9.980 10.093 -8.940 1.00 0.00 O ATOM 1498 CB SER A 93 -7.362 10.517 -11.104 1.00 0.00 C ATOM 1499 OG SER A 93 -8.394 9.986 -11.916 1.00 0.00 O ATOM 0 H SER A 93 -5.908 11.012 -9.146 1.00 0.00 H new ATOM 0 HA SER A 93 -8.532 11.884 -9.927 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.877 11.344 -11.622 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.600 9.756 -10.935 1.00 0.00 H new ATOM 0 HG SER A 93 -8.017 9.684 -12.769 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.155 8.784 -8.809 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.865 7.666 -8.200 1.00 0.00 C ATOM 1507 C VAL A 94 -9.803 8.147 -7.098 1.00 0.00 C ATOM 1508 O VAL A 94 -10.987 7.809 -7.084 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.886 6.633 -7.611 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.638 5.582 -6.808 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.067 5.985 -8.718 1.00 0.00 C ATOM 0 H VAL A 94 -7.160 8.619 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.448 7.193 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.201 7.149 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.930 4.861 -6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.176 6.064 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.347 5.067 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.380 5.258 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.735 5.482 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.499 6.751 -9.246 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.266 8.937 -6.175 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.055 9.465 -5.067 1.00 0.00 C ATOM 1523 C LEU A 95 -11.212 10.317 -5.580 1.00 0.00 C ATOM 1524 O LEU A 95 -12.261 10.406 -4.943 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.170 10.295 -4.135 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.865 9.637 -3.687 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.955 10.656 -3.019 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.149 8.475 -2.746 1.00 0.00 C ATOM 0 H LEU A 95 -8.288 9.226 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.467 8.622 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.928 11.232 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.749 10.549 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.355 9.248 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.031 10.169 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.724 11.455 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.457 11.075 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.209 8.019 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.681 8.840 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.761 7.733 -3.259 1.00 0.00 H new ATOM 1540 N SER A 96 -11.013 10.940 -6.738 1.00 0.00 N ATOM 1541 CA SER A 96 -12.039 11.786 -7.336 1.00 0.00 C ATOM 1542 C SER A 96 -13.170 10.941 -7.915 1.00 0.00 C ATOM 1543 O SER A 96 -14.342 11.311 -7.830 1.00 0.00 O ATOM 1544 CB SER A 96 -11.431 12.663 -8.432 1.00 0.00 C ATOM 1545 OG SER A 96 -12.198 13.839 -8.629 1.00 0.00 O ATOM 0 H SER A 96 -10.151 10.875 -7.280 1.00 0.00 H new ATOM 0 HA SER A 96 -12.449 12.425 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.410 12.932 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.377 12.100 -9.364 1.00 0.00 H new ATOM 0 HG SER A 96 -11.788 14.383 -9.333 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.811 9.805 -8.503 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.795 8.907 -9.097 1.00 0.00 C ATOM 1553 C ARG A 97 -14.516 8.102 -8.020 1.00 0.00 C ATOM 1554 O ARG A 97 -15.737 7.950 -8.056 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.118 7.960 -10.089 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.004 8.612 -10.891 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.575 7.740 -12.061 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.468 7.885 -13.207 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.533 7.119 -13.411 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -13.838 6.159 -12.548 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.297 7.313 -14.478 1.00 0.00 N ATOM 0 H ARG A 97 -11.846 9.484 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.530 9.513 -9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.711 7.108 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.869 7.570 -10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.340 9.580 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.148 8.799 -10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.560 8.004 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.554 6.696 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.262 8.615 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.254 6.008 -11.726 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.657 5.572 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.066 8.051 -15.143 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.115 6.724 -14.634 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.753 7.588 -7.062 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.317 6.799 -5.973 1.00 0.00 C ATOM 1577 C LYS A 98 -15.113 7.682 -5.017 1.00 0.00 C ATOM 1578 O LYS A 98 -16.332 7.547 -4.900 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.206 6.075 -5.210 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.457 5.054 -6.050 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.360 3.906 -6.467 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.635 2.933 -7.386 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.586 2.081 -8.152 1.00 0.00 N ATOM 0 H LYS A 98 -12.741 7.704 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.992 6.061 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.497 6.811 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.638 5.574 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.050 5.539 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.611 4.665 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.712 3.378 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.241 4.300 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.006 3.490 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.974 2.299 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.054 1.432 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.170 1.531 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.200 2.684 -8.736 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.417 8.586 -4.337 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.060 9.493 -3.392 1.00 0.00 C ATOM 1599 C LEU A 99 -15.896 10.538 -4.123 1.00 0.00 C ATOM 1600 O LEU A 99 -15.386 11.581 -4.530 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.008 10.182 -2.521 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.937 9.274 -1.916 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.730 10.089 -1.479 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.505 8.488 -0.743 1.00 0.00 C ATOM 0 H LEU A 99 -13.408 8.711 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.722 8.906 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.512 10.945 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.520 10.698 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.614 8.567 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.979 9.425 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.309 10.606 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.036 10.820 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.729 7.847 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.856 9.180 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.337 7.873 -1.086 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.184 10.252 -4.283 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.092 11.168 -4.963 1.00 0.00 C ATOM 1618 C ASN A 100 -18.049 12.552 -4.323 1.00 0.00 C ATOM 1619 O ASN A 100 -17.560 12.714 -3.205 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.521 10.623 -4.929 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.449 11.372 -5.865 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.066 12.379 -6.461 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.676 10.883 -5.998 1.00 0.00 N ATOM 0 H ASN A 100 -17.622 9.393 -3.951 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.769 11.256 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.511 9.567 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.907 10.687 -3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.345 11.345 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.950 10.045 -5.484 1.00 0.00 H new