USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1007 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 82 ASN : amide:sc=-0.00854 X(o=0.5,f=0.51) USER MOD Set 1.2: A 86 SER OG : rot 68:sc= 0.51 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= -1.65! USER MOD Set 2.2: A 53 LYS NZ :NH3+ -113:sc= 1.66 (180deg=-0.005) USER MOD Set 2.3: A 57 THR OG1 : rot 71:sc= -2.47! USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 7 SER OG : rot -22:sc= 0.116 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.071 USER MOD Single : A 12 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00647 USER MOD Single : A 18 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.14) USER MOD Single : A 20 GLN : amide:sc= 0.891 K(o=0.89,f=-6.5!) USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 0.0208 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.13) USER MOD Single : A 27 MET CE :methyl -155:sc= -2.17! (180deg=-2.81!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0491 (180deg=-0.296) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.787 (180deg=0.324) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 33:sc= -0.291 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.19) USER MOD Single : A 59 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.36) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.2) USER MOD Single : A 70 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-2.5!) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -0.201 (180deg=-2.02!) USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.106) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= -0.0258 (180deg=-0.199) USER MOD Single : A 89 SER OG : rot 180:sc= -0.27 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= -0.0114 (180deg=-0.173) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0.0265 (180deg=0.0009) USER MOD Single : A 96 LYS NZ :NH3+ -160:sc= -0.0275 (180deg=-0.314) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.12) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.0878) USER MOD Single : A 122 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.63) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.061 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -2.891 4.756 -11.140 1.00 1.08 N ATOM 106 CA PHE A 3 -2.602 4.637 -9.709 1.00 0.89 C ATOM 107 C PHE A 3 -1.977 5.916 -9.162 1.00 0.90 C ATOM 108 O PHE A 3 -0.773 6.147 -9.283 1.00 1.22 O ATOM 109 CB PHE A 3 -1.705 3.429 -9.425 1.00 0.94 C ATOM 110 CG PHE A 3 -2.307 2.133 -9.878 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.339 1.547 -9.162 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.854 1.507 -11.025 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.906 0.362 -9.582 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.413 0.321 -11.449 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.442 -0.253 -10.729 1.00 0.96 C ATOM 0 HA PHE A 3 -3.550 4.481 -9.195 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.746 3.571 -9.922 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.505 3.376 -8.355 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.704 2.024 -8.264 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.053 1.953 -11.595 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.710 -0.084 -9.016 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.046 -0.159 -12.344 1.00 0.99 H new ATOM 0 HZ PHE A 3 -3.883 -1.181 -11.062 1.00 0.96 H new ATOM 125 N THR A 4 -2.807 6.738 -8.542 1.00 0.74 N ATOM 126 CA THR A 4 -2.355 8.001 -7.997 1.00 0.76 C ATOM 127 C THR A 4 -2.760 8.119 -6.533 1.00 0.71 C ATOM 128 O THR A 4 -3.722 7.476 -6.100 1.00 0.76 O ATOM 129 CB THR A 4 -2.910 9.195 -8.798 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.327 9.073 -8.942 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.261 9.276 -10.174 1.00 0.96 C ATOM 0 H THR A 4 -3.800 6.550 -8.405 1.00 0.74 H new ATOM 0 HA THR A 4 -1.268 8.024 -8.072 1.00 0.76 H new ATOM 0 HB THR A 4 -2.678 10.108 -8.250 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.671 9.837 -9.451 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.670 10.127 -10.719 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.184 9.400 -10.062 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.465 8.359 -10.727 1.00 0.96 H new ATOM 139 N LEU A 5 -2.023 8.897 -5.765 1.00 0.74 N ATOM 140 CA LEU A 5 -2.243 8.985 -4.328 1.00 0.77 C ATOM 141 C LEU A 5 -3.636 9.500 -3.947 1.00 0.67 C ATOM 142 O LEU A 5 -4.308 8.890 -3.108 1.00 0.73 O ATOM 143 CB LEU A 5 -1.184 9.888 -3.699 1.00 0.91 C ATOM 144 CG LEU A 5 -1.310 10.075 -2.186 1.00 1.02 C ATOM 145 CD1 LEU A 5 -0.986 8.783 -1.449 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.405 11.199 -1.722 1.00 1.67 C ATOM 0 H LEU A 5 -1.262 9.482 -6.111 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.168 7.967 -3.945 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.199 9.475 -3.918 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.233 10.867 -4.176 1.00 0.91 H new ATOM 0 HG LEU A 5 -2.342 10.340 -1.956 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -1.083 8.943 -0.375 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -1.678 8.001 -1.764 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.035 8.479 -1.680 1.00 1.67 H new ATOM 0 HD21 LEU A 5 -0.503 11.323 -0.644 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.629 10.958 -1.967 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.690 12.125 -2.221 1.00 1.67 H new ATOM 158 N GLU A 6 -4.093 10.581 -4.588 1.00 0.60 N ATOM 159 CA GLU A 6 -5.489 11.011 -4.442 1.00 0.58 C ATOM 160 C GLU A 6 -6.410 9.858 -4.826 1.00 0.59 C ATOM 161 O GLU A 6 -7.394 9.627 -4.125 1.00 0.61 O ATOM 162 CB GLU A 6 -5.786 12.235 -5.308 1.00 0.62 C ATOM 163 CG GLU A 6 -5.097 13.502 -4.831 1.00 0.87 C ATOM 164 CD GLU A 6 -5.320 14.667 -5.769 1.00 1.35 C ATOM 165 OE1 GLU A 6 -4.595 14.773 -6.778 1.00 1.80 O ATOM 166 OE2 GLU A 6 -6.217 15.491 -5.494 1.00 1.68 O ATOM 0 H GLU A 6 -3.528 11.166 -5.203 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.662 11.292 -3.403 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.477 12.028 -6.333 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.863 12.403 -5.327 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.466 13.762 -3.839 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -4.027 13.316 -4.734 1.00 0.87 H new ATOM 173 N SER A 7 -6.131 9.136 -5.904 1.00 0.59 N ATOM 174 CA SER A 7 -7.019 8.066 -6.357 1.00 0.63 C ATOM 175 C SER A 7 -7.253 7.007 -5.274 1.00 0.62 C ATOM 176 O SER A 7 -8.218 6.243 -5.355 1.00 0.78 O ATOM 177 CB SER A 7 -6.462 7.407 -7.623 1.00 0.67 C ATOM 178 OG SER A 7 -7.358 6.437 -8.142 1.00 1.14 O ATOM 0 H SER A 7 -5.300 9.269 -6.481 1.00 0.59 H new ATOM 0 HA SER A 7 -7.982 8.524 -6.581 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.273 8.170 -8.378 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.505 6.936 -7.398 1.00 0.67 H new ATOM 0 HG SER A 7 -7.960 6.134 -7.431 1.00 1.14 H new ATOM 184 N SER A 8 -6.407 6.964 -4.246 1.00 0.53 N ATOM 185 CA SER A 8 -6.559 5.974 -3.191 1.00 0.52 C ATOM 186 C SER A 8 -7.252 6.498 -1.935 1.00 0.48 C ATOM 187 O SER A 8 -7.753 5.708 -1.145 1.00 0.48 O ATOM 188 CB SER A 8 -5.221 5.358 -2.822 1.00 0.57 C ATOM 189 OG SER A 8 -4.532 4.912 -3.980 1.00 1.02 O ATOM 0 H SER A 8 -5.618 7.598 -4.125 1.00 0.53 H new ATOM 0 HA SER A 8 -7.215 5.212 -3.611 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.613 6.091 -2.292 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.377 4.521 -2.142 1.00 0.57 H new ATOM 0 HG SER A 8 -3.672 4.521 -3.719 1.00 1.02 H new ATOM 195 N LEU A 9 -7.220 7.813 -1.714 1.00 0.47 N ATOM 196 CA LEU A 9 -7.492 8.383 -0.394 1.00 0.46 C ATOM 197 C LEU A 9 -8.832 8.022 0.243 1.00 0.46 C ATOM 198 O LEU A 9 -8.981 7.994 1.463 1.00 0.42 O ATOM 199 CB LEU A 9 -7.323 9.883 -0.453 1.00 0.49 C ATOM 200 CG LEU A 9 -5.914 10.323 -0.817 1.00 0.49 C ATOM 201 CD1 LEU A 9 -5.912 11.795 -1.129 1.00 1.04 C ATOM 202 CD2 LEU A 9 -4.936 9.999 0.306 1.00 0.78 C ATOM 0 H LEU A 9 -7.008 8.504 -2.434 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.760 7.920 0.268 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.022 10.291 -1.183 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.589 10.309 0.515 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.588 9.775 -1.701 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -4.902 12.110 -1.390 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.581 11.990 -1.967 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.252 12.352 -0.256 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -3.935 10.323 0.022 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.241 10.518 1.215 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -4.932 8.924 0.486 1.00 0.78 H new ATOM 214 N ASP A 10 -9.804 7.772 -0.622 1.00 0.51 N ATOM 215 CA ASP A 10 -11.126 7.340 -0.179 1.00 0.53 C ATOM 216 C ASP A 10 -11.308 5.848 -0.382 1.00 0.54 C ATOM 217 O ASP A 10 -12.361 5.294 -0.062 1.00 0.57 O ATOM 218 CB ASP A 10 -12.220 8.089 -0.942 1.00 0.57 C ATOM 219 CG ASP A 10 -12.265 9.562 -0.608 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.748 9.914 0.490 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.817 10.381 -1.440 1.00 1.32 O ATOM 0 H ASP A 10 -9.705 7.860 -1.633 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.206 7.565 0.884 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.056 7.969 -2.013 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.187 7.640 -0.715 1.00 0.57 H new ATOM 226 N THR A 11 -10.285 5.197 -0.903 1.00 0.54 N ATOM 227 CA THR A 11 -10.354 3.777 -1.167 1.00 0.56 C ATOM 228 C THR A 11 -9.208 3.012 -0.504 1.00 0.53 C ATOM 229 O THR A 11 -9.265 2.697 0.682 1.00 0.53 O ATOM 230 CB THR A 11 -10.378 3.484 -2.682 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.354 4.240 -3.344 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.732 3.826 -3.284 1.00 0.69 C ATOM 0 H THR A 11 -9.396 5.632 -1.151 1.00 0.54 H new ATOM 0 HA THR A 11 -11.289 3.428 -0.730 1.00 0.56 H new ATOM 0 HB THR A 11 -10.196 2.419 -2.823 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.375 4.048 -4.305 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.720 3.610 -4.352 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.506 3.229 -2.801 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.942 4.885 -3.130 1.00 0.69 H new ATOM 240 N HIS A 12 -8.163 2.732 -1.283 1.00 0.51 N ATOM 241 CA HIS A 12 -7.033 1.950 -0.780 1.00 0.49 C ATOM 242 C HIS A 12 -6.386 2.624 0.432 1.00 0.43 C ATOM 243 O HIS A 12 -6.029 1.956 1.400 1.00 0.43 O ATOM 244 CB HIS A 12 -5.982 1.694 -1.875 1.00 0.49 C ATOM 245 CG HIS A 12 -6.536 1.137 -3.154 1.00 0.57 C ATOM 246 ND1 HIS A 12 -5.834 1.139 -4.342 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.726 0.556 -3.429 1.00 0.90 C ATOM 248 CE1 HIS A 12 -6.569 0.581 -5.287 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.721 0.217 -4.760 1.00 0.66 N ATOM 0 H HIS A 12 -8.075 3.031 -2.254 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.431 0.985 -0.466 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.469 2.630 -2.094 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.233 1.003 -1.487 1.00 0.49 H new ATOM 0 HD1 HIS A 12 -4.894 1.513 -4.470 1.00 1.50 H new ATOM 0 HD2 HIS A 12 -8.532 0.389 -2.730 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -6.276 0.446 -6.318 1.00 1.34 H new ATOM 258 N LEU A 13 -6.238 3.941 0.384 1.00 0.40 N ATOM 259 CA LEU A 13 -5.466 4.645 1.399 1.00 0.36 C ATOM 260 C LEU A 13 -6.341 5.433 2.369 1.00 0.34 C ATOM 261 O LEU A 13 -5.898 6.390 3.001 1.00 0.32 O ATOM 262 CB LEU A 13 -4.445 5.583 0.744 1.00 0.34 C ATOM 263 CG LEU A 13 -3.057 4.975 0.487 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.471 4.415 1.773 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.114 3.891 -0.579 1.00 0.84 C ATOM 0 H LEU A 13 -6.638 4.539 -0.339 1.00 0.40 H new ATOM 0 HA LEU A 13 -4.947 3.881 1.978 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -4.853 5.929 -0.206 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.326 6.462 1.378 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.410 5.773 0.123 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.488 3.989 1.570 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.375 5.215 2.508 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.129 3.639 2.165 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.116 3.482 -0.736 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -3.785 3.096 -0.254 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.482 4.317 -1.512 1.00 0.84 H new ATOM 277 N LYS A 14 -7.594 5.000 2.482 1.00 0.38 N ATOM 278 CA LYS A 14 -8.581 5.700 3.290 1.00 0.38 C ATOM 279 C LYS A 14 -8.304 5.568 4.784 1.00 0.35 C ATOM 280 O LYS A 14 -8.815 6.341 5.590 1.00 0.36 O ATOM 281 CB LYS A 14 -9.993 5.198 2.981 1.00 0.45 C ATOM 282 CG LYS A 14 -10.232 3.741 3.336 1.00 0.64 C ATOM 283 CD LYS A 14 -11.703 3.380 3.213 1.00 0.67 C ATOM 284 CE LYS A 14 -11.924 1.887 3.368 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.366 1.544 3.462 1.00 1.69 N ATOM 0 H LYS A 14 -7.948 4.162 2.020 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.507 6.755 3.028 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.711 5.814 3.522 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.191 5.338 1.918 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.642 3.102 2.679 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -9.892 3.551 4.354 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.274 3.914 3.972 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.079 3.706 2.243 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.482 1.365 2.519 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.409 1.535 4.262 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.472 0.515 3.567 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.783 2.021 4.287 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.854 1.856 2.598 1.00 1.69 H new ATOM 299 N TRP A 15 -7.485 4.584 5.139 1.00 0.34 N ATOM 300 CA TRP A 15 -7.154 4.325 6.536 1.00 0.33 C ATOM 301 C TRP A 15 -6.143 5.341 7.062 1.00 0.29 C ATOM 302 O TRP A 15 -5.793 5.329 8.246 1.00 0.29 O ATOM 303 CB TRP A 15 -6.598 2.909 6.694 1.00 0.35 C ATOM 304 CG TRP A 15 -5.424 2.626 5.810 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.465 2.167 4.530 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.037 2.785 6.136 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.193 2.028 4.035 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.298 2.400 5.004 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.351 3.213 7.277 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.905 2.431 4.980 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -1.970 3.243 7.250 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.261 2.854 6.109 1.00 0.30 C ATOM 0 H TRP A 15 -7.037 3.951 4.477 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.069 4.420 7.120 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.306 2.756 7.733 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.388 2.191 6.476 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.369 1.944 3.982 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.953 1.701 3.099 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.891 3.514 8.163 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.354 2.132 4.101 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.429 3.572 8.125 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.182 2.889 6.120 1.00 0.30 H new ATOM 323 N LEU A 16 -5.675 6.220 6.184 1.00 0.28 N ATOM 324 CA LEU A 16 -4.845 7.333 6.604 1.00 0.26 C ATOM 325 C LEU A 16 -5.724 8.403 7.250 1.00 0.27 C ATOM 326 O LEU A 16 -6.875 8.615 6.864 1.00 0.31 O ATOM 327 CB LEU A 16 -4.093 7.942 5.413 1.00 0.25 C ATOM 328 CG LEU A 16 -3.106 7.020 4.679 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.537 7.731 3.465 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.973 6.577 5.594 1.00 0.30 C ATOM 0 H LEU A 16 -5.857 6.181 5.181 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.111 6.965 7.321 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.828 8.298 4.691 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.545 8.815 5.766 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.651 6.132 4.361 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.839 7.071 2.951 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.348 8.000 2.788 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.015 8.634 3.783 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.294 5.926 5.043 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.429 7.452 5.949 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.384 6.035 6.446 1.00 0.30 H new ATOM 342 N SER A 17 -5.140 9.064 8.230 1.00 0.27 N ATOM 343 CA SER A 17 -5.816 10.172 8.889 1.00 0.30 C ATOM 344 C SER A 17 -5.763 11.398 7.988 1.00 0.33 C ATOM 345 O SER A 17 -4.929 11.441 7.088 1.00 0.34 O ATOM 346 CB SER A 17 -5.165 10.466 10.240 1.00 0.31 C ATOM 347 OG SER A 17 -5.766 11.580 10.874 1.00 1.24 O ATOM 0 H SER A 17 -4.207 8.858 8.588 1.00 0.27 H new ATOM 0 HA SER A 17 -6.857 9.906 9.070 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.249 9.590 10.884 1.00 0.31 H new ATOM 0 HB3 SER A 17 -4.101 10.657 10.099 1.00 0.31 H new ATOM 0 HG SER A 17 -5.329 11.741 11.736 1.00 1.24 H new ATOM 353 N GLN A 18 -6.633 12.382 8.198 1.00 0.36 N ATOM 354 CA GLN A 18 -6.637 13.568 7.342 1.00 0.41 C ATOM 355 C GLN A 18 -5.255 14.214 7.356 1.00 0.41 C ATOM 356 O GLN A 18 -4.715 14.552 6.301 1.00 0.42 O ATOM 357 CB GLN A 18 -7.709 14.571 7.770 1.00 0.47 C ATOM 358 CG GLN A 18 -7.817 15.779 6.850 1.00 1.19 C ATOM 359 CD GLN A 18 -8.163 15.402 5.420 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.334 15.324 5.051 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.146 15.170 4.602 1.00 1.91 N ATOM 0 H GLN A 18 -7.333 12.385 8.939 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.878 13.256 6.326 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.674 14.065 7.806 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.491 14.914 8.781 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.578 16.457 7.236 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.872 16.322 6.859 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -6.188 15.245 4.945 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -7.321 14.917 3.630 1.00 1.91 H new ATOM 370 N GLU A 19 -4.693 14.375 8.552 1.00 0.41 N ATOM 371 CA GLU A 19 -3.369 14.936 8.700 1.00 0.42 C ATOM 372 C GLU A 19 -2.342 14.111 7.936 1.00 0.40 C ATOM 373 O GLU A 19 -1.405 14.663 7.365 1.00 0.42 O ATOM 374 CB GLU A 19 -3.015 15.014 10.175 1.00 0.41 C ATOM 375 CG GLU A 19 -3.486 16.291 10.844 1.00 1.18 C ATOM 376 CD GLU A 19 -2.921 17.529 10.181 1.00 1.79 C ATOM 377 OE1 GLU A 19 -1.720 17.810 10.362 1.00 2.01 O ATOM 378 OE2 GLU A 19 -3.679 18.226 9.474 1.00 2.49 O ATOM 0 H GLU A 19 -5.143 14.121 9.431 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.359 15.942 8.280 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.453 14.160 10.691 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.934 14.933 10.286 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.575 16.332 10.817 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -3.193 16.278 11.894 1.00 1.18 H new ATOM 385 N GLN A 20 -2.522 12.797 7.917 1.00 0.37 N ATOM 386 CA GLN A 20 -1.619 11.918 7.184 1.00 0.36 C ATOM 387 C GLN A 20 -1.845 12.089 5.685 1.00 0.38 C ATOM 388 O GLN A 20 -0.895 12.233 4.936 1.00 0.41 O ATOM 389 CB GLN A 20 -1.824 10.461 7.603 1.00 0.33 C ATOM 390 CG GLN A 20 -1.527 10.210 9.073 1.00 0.37 C ATOM 391 CD GLN A 20 -1.785 8.775 9.492 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.651 8.098 8.935 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.041 8.303 10.478 1.00 1.04 N ATOM 0 H GLN A 20 -3.282 12.317 8.399 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.590 12.189 7.419 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.854 10.171 7.393 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.183 9.822 6.996 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.486 10.461 9.276 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.139 10.876 9.681 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.334 8.896 10.913 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.174 7.346 10.804 1.00 1.04 H new ATOM 402 N LYS A 21 -3.099 12.085 5.259 1.00 0.38 N ATOM 403 CA LYS A 21 -3.429 12.284 3.850 1.00 0.42 C ATOM 404 C LYS A 21 -2.822 13.590 3.353 1.00 0.42 C ATOM 405 O LYS A 21 -2.187 13.637 2.306 1.00 0.43 O ATOM 406 CB LYS A 21 -4.945 12.316 3.653 1.00 0.47 C ATOM 407 CG LYS A 21 -5.640 11.004 3.972 1.00 0.56 C ATOM 408 CD LYS A 21 -7.144 11.141 3.829 1.00 0.54 C ATOM 409 CE LYS A 21 -7.850 9.807 3.991 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.329 9.956 3.948 1.00 0.95 N ATOM 0 H LYS A 21 -3.907 11.946 5.866 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.017 11.452 3.279 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.366 13.100 4.283 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.161 12.587 2.619 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.277 10.223 3.304 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.394 10.695 4.988 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.517 11.843 4.575 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.379 11.560 2.851 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.530 9.128 3.201 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.558 9.354 4.938 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.737 9.632 4.848 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.573 10.956 3.797 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.713 9.384 3.169 1.00 0.95 H new ATOM 424 N ASP A 22 -3.010 14.636 4.142 1.00 0.44 N ATOM 425 CA ASP A 22 -2.465 15.954 3.842 1.00 0.46 C ATOM 426 C ASP A 22 -0.941 15.957 3.933 1.00 0.46 C ATOM 427 O ASP A 22 -0.285 16.687 3.192 1.00 0.48 O ATOM 428 CB ASP A 22 -3.032 16.972 4.837 1.00 0.49 C ATOM 429 CG ASP A 22 -2.556 18.384 4.566 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.149 19.058 3.696 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.598 18.831 5.227 1.00 0.64 O ATOM 0 H ASP A 22 -3.545 14.597 5.010 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.748 16.219 2.823 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.121 16.946 4.796 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.744 16.684 5.848 1.00 0.49 H new ATOM 436 N GLU A 23 -0.369 15.138 4.805 1.00 0.44 N ATOM 437 CA GLU A 23 1.057 14.946 4.845 1.00 0.45 C ATOM 438 C GLU A 23 1.549 14.273 3.566 1.00 0.42 C ATOM 439 O GLU A 23 2.487 14.756 2.930 1.00 0.44 O ATOM 440 CB GLU A 23 1.424 14.105 6.062 1.00 0.47 C ATOM 441 CG GLU A 23 2.900 14.121 6.344 1.00 0.71 C ATOM 442 CD GLU A 23 3.269 13.529 7.688 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.010 14.175 8.723 1.00 1.43 O ATOM 444 OE2 GLU A 23 3.814 12.401 7.717 1.00 1.40 O ATOM 0 H GLU A 23 -0.885 14.595 5.497 1.00 0.44 H new ATOM 0 HA GLU A 23 1.541 15.919 4.921 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.886 14.478 6.934 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.098 13.077 5.902 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.417 13.569 5.559 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.258 15.149 6.299 1.00 0.71 H new ATOM 451 N LEU A 24 0.926 13.161 3.187 1.00 0.40 N ATOM 452 CA LEU A 24 1.291 12.423 1.984 1.00 0.39 C ATOM 453 C LEU A 24 1.099 13.291 0.741 1.00 0.39 C ATOM 454 O LEU A 24 1.970 13.349 -0.130 1.00 0.41 O ATOM 455 CB LEU A 24 0.433 11.154 1.868 1.00 0.38 C ATOM 456 CG LEU A 24 0.807 9.967 2.774 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.919 9.137 2.170 1.00 1.16 C ATOM 458 CD2 LEU A 24 1.224 10.410 4.161 1.00 1.33 C ATOM 0 H LEU A 24 0.153 12.746 3.707 1.00 0.40 H new ATOM 0 HA LEU A 24 2.342 12.144 2.056 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.602 11.426 2.077 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.471 10.814 0.833 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.095 9.361 2.859 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.157 8.308 2.836 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.598 8.746 1.205 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.804 9.759 2.033 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.478 9.536 4.761 1.00 1.33 H new ATOM 0 HD22 LEU A 24 2.092 11.065 4.088 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.402 10.948 4.633 1.00 1.33 H new ATOM 470 N LEU A 25 -0.050 13.965 0.667 1.00 0.40 N ATOM 471 CA LEU A 25 -0.348 14.866 -0.441 1.00 0.43 C ATOM 472 C LEU A 25 0.691 15.968 -0.533 1.00 0.46 C ATOM 473 O LEU A 25 1.071 16.389 -1.622 1.00 0.48 O ATOM 474 CB LEU A 25 -1.740 15.477 -0.281 1.00 0.45 C ATOM 475 CG LEU A 25 -2.907 14.549 -0.614 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.233 15.223 -0.300 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.853 14.138 -2.078 1.00 1.06 C ATOM 0 H LEU A 25 -0.790 13.901 1.366 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.323 14.283 -1.362 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.852 15.818 0.748 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.806 16.359 -0.918 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.823 13.654 0.002 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.052 14.546 -0.544 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.272 15.473 0.760 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.327 16.134 -0.891 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.690 13.477 -2.301 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -2.914 15.026 -2.708 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.916 13.617 -2.275 1.00 1.06 H new ATOM 489 N LYS A 26 1.144 16.423 0.621 1.00 0.47 N ATOM 490 CA LYS A 26 2.138 17.476 0.702 1.00 0.51 C ATOM 491 C LYS A 26 3.439 17.030 0.050 1.00 0.49 C ATOM 492 O LYS A 26 4.055 17.774 -0.710 1.00 0.51 O ATOM 493 CB LYS A 26 2.398 17.822 2.168 1.00 0.56 C ATOM 494 CG LYS A 26 2.813 19.263 2.402 1.00 0.93 C ATOM 495 CD LYS A 26 1.700 20.239 2.037 1.00 1.62 C ATOM 496 CE LYS A 26 0.404 19.923 2.776 1.00 2.50 C ATOM 497 NZ LYS A 26 0.570 19.957 4.255 1.00 3.24 N ATOM 0 H LYS A 26 0.833 16.073 1.527 1.00 0.47 H new ATOM 0 HA LYS A 26 1.762 18.354 0.176 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.495 17.617 2.744 1.00 0.56 H new ATOM 0 HB3 LYS A 26 3.177 17.164 2.552 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.085 19.397 3.449 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.701 19.486 1.810 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.015 21.255 2.275 1.00 1.62 H new ATOM 0 HD3 LYS A 26 1.523 20.203 0.962 1.00 1.62 H new ATOM 0 HE2 LYS A 26 -0.362 20.641 2.483 1.00 2.50 H new ATOM 0 HE3 LYS A 26 0.049 18.937 2.476 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 -0.354 19.820 4.711 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 1.217 19.198 4.549 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 0.963 20.877 4.539 1.00 3.24 H new ATOM 511 N MET A 27 3.834 15.798 0.336 1.00 0.47 N ATOM 512 CA MET A 27 5.029 15.224 -0.259 1.00 0.47 C ATOM 513 C MET A 27 4.930 15.107 -1.777 1.00 0.47 C ATOM 514 O MET A 27 5.798 15.601 -2.495 1.00 0.49 O ATOM 515 CB MET A 27 5.336 13.851 0.345 1.00 0.49 C ATOM 516 CG MET A 27 5.518 13.873 1.853 1.00 0.50 C ATOM 517 SD MET A 27 6.547 12.517 2.450 1.00 0.92 S ATOM 518 CE MET A 27 5.673 11.106 1.784 1.00 0.79 C ATOM 0 H MET A 27 3.342 15.176 0.978 1.00 0.47 H new ATOM 0 HA MET A 27 5.844 15.911 -0.032 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.526 13.165 0.096 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.241 13.456 -0.115 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.968 14.821 2.147 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.541 13.821 2.334 1.00 0.50 H new ATOM 0 HE1 MET A 27 5.886 10.226 2.392 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.601 11.304 1.794 1.00 0.79 H new ATOM 0 HE3 MET A 27 5.999 10.927 0.759 1.00 0.79 H new ATOM 528 N LYS A 28 3.866 14.485 -2.277 1.00 0.45 N ATOM 529 CA LYS A 28 3.695 14.315 -3.712 1.00 0.49 C ATOM 530 C LYS A 28 3.596 15.674 -4.404 1.00 0.54 C ATOM 531 O LYS A 28 4.119 15.865 -5.501 1.00 0.58 O ATOM 532 CB LYS A 28 2.456 13.444 -3.993 1.00 0.50 C ATOM 533 CG LYS A 28 1.112 14.097 -3.703 1.00 0.79 C ATOM 534 CD LYS A 28 0.543 14.821 -4.919 1.00 1.41 C ATOM 535 CE LYS A 28 0.293 13.872 -6.083 1.00 1.82 C ATOM 536 NZ LYS A 28 -0.338 14.561 -7.235 1.00 2.44 N ATOM 0 H LYS A 28 3.114 14.093 -1.711 1.00 0.45 H new ATOM 0 HA LYS A 28 4.567 13.804 -4.119 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.475 13.144 -5.041 1.00 0.50 H new ATOM 0 HB3 LYS A 28 2.533 12.533 -3.399 1.00 0.50 H new ATOM 0 HG2 LYS A 28 0.405 13.336 -3.373 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.225 14.805 -2.882 1.00 0.79 H new ATOM 0 HD2 LYS A 28 -0.391 15.312 -4.645 1.00 1.41 H new ATOM 0 HD3 LYS A 28 1.235 15.603 -5.231 1.00 1.41 H new ATOM 0 HE2 LYS A 28 1.237 13.428 -6.399 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.349 13.055 -5.753 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -0.491 13.880 -8.006 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 -1.251 14.963 -6.941 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 0.285 15.325 -7.567 1.00 2.44 H new ATOM 550 N LYS A 29 2.936 16.615 -3.734 1.00 0.55 N ATOM 551 CA LYS A 29 2.783 17.972 -4.240 1.00 0.62 C ATOM 552 C LYS A 29 4.129 18.674 -4.368 1.00 0.64 C ATOM 553 O LYS A 29 4.414 19.297 -5.389 1.00 0.72 O ATOM 554 CB LYS A 29 1.860 18.773 -3.318 1.00 0.62 C ATOM 555 CG LYS A 29 1.534 20.174 -3.820 1.00 1.13 C ATOM 556 CD LYS A 29 0.779 20.145 -5.143 1.00 1.57 C ATOM 557 CE LYS A 29 -0.545 19.403 -5.026 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.335 19.478 -6.281 1.00 2.69 N ATOM 0 H LYS A 29 2.494 16.457 -2.828 1.00 0.55 H new ATOM 0 HA LYS A 29 2.340 17.912 -5.234 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.929 18.221 -3.187 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.326 18.851 -2.336 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.937 20.697 -3.073 1.00 1.13 H new ATOM 0 HG3 LYS A 29 2.458 20.739 -3.942 1.00 1.13 H new ATOM 0 HD2 LYS A 29 0.595 21.166 -5.478 1.00 1.57 H new ATOM 0 HD3 LYS A 29 1.397 19.667 -5.903 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.355 18.359 -4.779 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -1.126 19.824 -4.206 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.229 18.961 -6.160 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.538 20.473 -6.504 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -0.792 19.053 -7.059 1.00 2.69 H new ATOM 572 N ASP A 30 4.960 18.558 -3.343 1.00 0.62 N ATOM 573 CA ASP A 30 6.236 19.262 -3.325 1.00 0.66 C ATOM 574 C ASP A 30 7.331 18.504 -4.074 1.00 0.65 C ATOM 575 O ASP A 30 8.520 18.811 -3.959 1.00 0.69 O ATOM 576 CB ASP A 30 6.691 19.556 -1.890 1.00 0.67 C ATOM 577 CG ASP A 30 6.007 20.775 -1.297 1.00 1.33 C ATOM 578 OD1 ASP A 30 6.235 21.891 -1.808 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.246 20.626 -0.319 1.00 2.14 O ATOM 0 H ASP A 30 4.777 17.987 -2.518 1.00 0.62 H new ATOM 0 HA ASP A 30 6.071 20.206 -3.844 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.486 18.688 -1.263 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.770 19.709 -1.879 1.00 0.67 H new ATOM 584 N GLY A 31 6.902 17.501 -4.833 1.00 0.62 N ATOM 585 CA GLY A 31 7.775 16.876 -5.799 1.00 0.62 C ATOM 586 C GLY A 31 8.579 15.743 -5.221 1.00 0.61 C ATOM 587 O GLY A 31 9.655 15.417 -5.723 1.00 0.63 O ATOM 0 H GLY A 31 5.960 17.111 -4.793 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.178 16.503 -6.631 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.454 17.626 -6.205 1.00 0.62 H new ATOM 591 N LYS A 32 8.069 15.144 -4.160 1.00 0.59 N ATOM 592 CA LYS A 32 8.686 13.962 -3.609 1.00 0.58 C ATOM 593 C LYS A 32 8.432 12.774 -4.526 1.00 0.56 C ATOM 594 O LYS A 32 7.474 12.757 -5.308 1.00 0.55 O ATOM 595 CB LYS A 32 8.178 13.673 -2.196 1.00 0.57 C ATOM 596 CG LYS A 32 8.529 14.756 -1.182 1.00 0.63 C ATOM 597 CD LYS A 32 10.023 15.022 -1.134 1.00 0.76 C ATOM 598 CE LYS A 32 10.386 16.005 -0.036 1.00 1.15 C ATOM 599 NZ LYS A 32 10.054 15.481 1.317 1.00 1.65 N ATOM 0 H LYS A 32 7.233 15.459 -3.668 1.00 0.59 H new ATOM 0 HA LYS A 32 9.760 14.136 -3.539 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.095 13.554 -2.227 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.593 12.724 -1.858 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.004 15.677 -1.437 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.182 14.455 -0.194 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.554 14.084 -0.972 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.354 15.413 -2.096 1.00 0.76 H new ATOM 0 HE2 LYS A 32 11.452 16.227 -0.087 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.857 16.944 -0.201 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.564 16.031 2.037 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 9.030 15.564 1.480 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 10.335 14.482 1.381 1.00 1.65 H new ATOM 613 N ALA A 33 9.308 11.807 -4.435 1.00 0.56 N ATOM 614 CA ALA A 33 9.202 10.594 -5.233 1.00 0.55 C ATOM 615 C ALA A 33 8.133 9.677 -4.674 1.00 0.52 C ATOM 616 O ALA A 33 7.870 9.694 -3.476 1.00 0.50 O ATOM 617 CB ALA A 33 10.532 9.861 -5.272 1.00 0.59 C ATOM 0 H ALA A 33 10.115 11.829 -3.811 1.00 0.56 H new ATOM 0 HA ALA A 33 8.926 10.883 -6.247 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.432 8.957 -5.873 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.291 10.508 -5.712 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.829 9.591 -4.258 1.00 0.59 H new ATOM 623 N LYS A 34 7.535 8.860 -5.535 1.00 0.53 N ATOM 624 CA LYS A 34 6.539 7.881 -5.108 1.00 0.51 C ATOM 625 C LYS A 34 7.115 6.992 -4.016 1.00 0.51 C ATOM 626 O LYS A 34 6.410 6.563 -3.110 1.00 0.48 O ATOM 627 CB LYS A 34 6.107 7.011 -6.289 1.00 0.56 C ATOM 628 CG LYS A 34 5.517 7.795 -7.445 1.00 1.21 C ATOM 629 CD LYS A 34 5.145 6.878 -8.596 1.00 1.64 C ATOM 630 CE LYS A 34 4.654 7.662 -9.799 1.00 2.21 C ATOM 631 NZ LYS A 34 4.322 6.770 -10.938 1.00 2.97 N ATOM 0 H LYS A 34 7.723 8.856 -6.537 1.00 0.53 H new ATOM 0 HA LYS A 34 5.673 8.419 -4.722 1.00 0.51 H new ATOM 0 HB2 LYS A 34 6.969 6.447 -6.647 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.372 6.284 -5.943 1.00 0.56 H new ATOM 0 HG2 LYS A 34 4.633 8.336 -7.107 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.236 8.540 -7.787 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.011 6.280 -8.880 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.370 6.183 -8.273 1.00 1.64 H new ATOM 0 HE2 LYS A 34 3.773 8.241 -9.521 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.420 8.375 -10.106 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 3.990 7.341 -11.741 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.169 6.236 -11.219 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 3.574 6.107 -10.653 1.00 2.97 H new ATOM 645 N LYS A 35 8.409 6.725 -4.116 1.00 0.54 N ATOM 646 CA LYS A 35 9.109 5.903 -3.138 1.00 0.56 C ATOM 647 C LYS A 35 9.099 6.546 -1.745 1.00 0.53 C ATOM 648 O LYS A 35 9.356 5.875 -0.749 1.00 0.55 O ATOM 649 CB LYS A 35 10.549 5.666 -3.596 1.00 0.61 C ATOM 650 CG LYS A 35 10.650 5.024 -4.974 1.00 1.17 C ATOM 651 CD LYS A 35 10.016 3.639 -5.005 1.00 1.56 C ATOM 652 CE LYS A 35 10.749 2.667 -4.094 1.00 2.18 C ATOM 653 NZ LYS A 35 10.218 1.285 -4.205 1.00 2.82 N ATOM 0 H LYS A 35 9.001 7.069 -4.872 1.00 0.54 H new ATOM 0 HA LYS A 35 8.586 4.949 -3.066 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.080 6.618 -3.608 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.053 5.029 -2.869 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.161 5.663 -5.709 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.698 4.950 -5.264 1.00 1.17 H new ATOM 0 HD2 LYS A 35 8.972 3.709 -4.699 1.00 1.56 H new ATOM 0 HD3 LYS A 35 10.023 3.258 -6.026 1.00 1.56 H new ATOM 0 HE2 LYS A 35 11.810 2.668 -4.343 1.00 2.18 H new ATOM 0 HE3 LYS A 35 10.664 3.005 -3.061 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.858 0.627 -3.716 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.275 1.239 -3.769 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.149 1.019 -5.208 1.00 2.82 H new ATOM 667 N GLU A 36 8.801 7.839 -1.675 1.00 0.51 N ATOM 668 CA GLU A 36 8.733 8.550 -0.405 1.00 0.50 C ATOM 669 C GLU A 36 7.325 8.451 0.181 1.00 0.44 C ATOM 670 O GLU A 36 7.111 8.455 1.392 1.00 0.45 O ATOM 671 CB GLU A 36 9.159 10.005 -0.606 1.00 0.53 C ATOM 672 CG GLU A 36 10.502 10.111 -1.307 1.00 0.61 C ATOM 673 CD GLU A 36 11.025 11.529 -1.418 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.209 12.185 -0.366 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.241 12.003 -2.548 1.00 0.66 O ATOM 0 H GLU A 36 8.601 8.419 -2.490 1.00 0.51 H new ATOM 0 HA GLU A 36 9.419 8.092 0.308 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.402 10.527 -1.191 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.214 10.504 0.362 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.231 9.506 -0.768 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.413 9.687 -2.307 1.00 0.61 H new ATOM 682 N LEU A 37 6.388 8.287 -0.749 1.00 0.39 N ATOM 683 CA LEU A 37 5.016 7.983 -0.405 1.00 0.36 C ATOM 684 C LEU A 37 4.898 6.534 0.046 1.00 0.36 C ATOM 685 O LEU A 37 4.255 6.233 1.053 1.00 0.35 O ATOM 686 CB LEU A 37 4.137 8.230 -1.626 1.00 0.37 C ATOM 687 CG LEU A 37 3.946 9.695 -2.040 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.125 10.436 -1.005 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.258 10.428 -2.266 1.00 1.01 C ATOM 0 H LEU A 37 6.563 8.362 -1.751 1.00 0.39 H new ATOM 0 HA LEU A 37 4.691 8.623 0.415 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.564 7.689 -2.470 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.155 7.798 -1.434 1.00 0.37 H new ATOM 0 HG LEU A 37 3.418 9.675 -2.993 1.00 0.41 H new ATOM 0 HD11 LEU A 37 2.999 11.473 -1.315 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.147 9.964 -0.911 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.637 10.404 -0.043 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.054 11.459 -2.556 1.00 1.01 H new ATOM 0 HD22 LEU A 37 5.843 10.419 -1.346 1.00 1.01 H new ATOM 0 HD23 LEU A 37 5.820 9.933 -3.058 1.00 1.01 H new ATOM 701 N GLU A 38 5.562 5.652 -0.695 1.00 0.39 N ATOM 702 CA GLU A 38 5.611 4.228 -0.376 1.00 0.43 C ATOM 703 C GLU A 38 6.305 4.010 0.966 1.00 0.43 C ATOM 704 O GLU A 38 6.098 3.008 1.632 1.00 0.45 O ATOM 705 CB GLU A 38 6.343 3.480 -1.499 1.00 0.57 C ATOM 706 CG GLU A 38 6.569 2.002 -1.228 1.00 1.35 C ATOM 707 CD GLU A 38 8.038 1.665 -1.087 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.577 1.796 0.028 1.00 2.72 O ATOM 709 OE2 GLU A 38 8.661 1.255 -2.087 1.00 2.49 O ATOM 0 H GLU A 38 6.082 5.905 -1.535 1.00 0.39 H new ATOM 0 HA GLU A 38 4.596 3.838 -0.296 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.771 3.584 -2.421 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.308 3.957 -1.667 1.00 0.57 H new ATOM 0 HG2 GLU A 38 6.043 1.717 -0.317 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.140 1.416 -2.040 1.00 1.35 H new ATOM 716 N ALA A 39 7.056 5.007 1.387 1.00 0.43 N ATOM 717 CA ALA A 39 7.818 4.923 2.618 1.00 0.45 C ATOM 718 C ALA A 39 7.044 5.407 3.829 1.00 0.42 C ATOM 719 O ALA A 39 7.093 4.800 4.901 1.00 0.44 O ATOM 720 CB ALA A 39 9.117 5.699 2.483 1.00 0.49 C ATOM 0 H ALA A 39 7.156 5.892 0.891 1.00 0.43 H new ATOM 0 HA ALA A 39 8.033 3.867 2.783 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.681 5.629 3.413 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.708 5.281 1.668 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.896 6.745 2.271 1.00 0.49 H new ATOM 726 N LYS A 40 6.317 6.500 3.643 1.00 0.39 N ATOM 727 CA LYS A 40 5.494 7.065 4.698 1.00 0.37 C ATOM 728 C LYS A 40 4.338 6.127 5.018 1.00 0.31 C ATOM 729 O LYS A 40 4.037 5.872 6.187 1.00 0.31 O ATOM 730 CB LYS A 40 4.958 8.431 4.270 1.00 0.41 C ATOM 731 CG LYS A 40 4.315 9.212 5.402 1.00 0.79 C ATOM 732 CD LYS A 40 5.336 9.642 6.440 1.00 0.64 C ATOM 733 CE LYS A 40 6.234 10.752 5.916 1.00 0.74 C ATOM 734 NZ LYS A 40 7.238 11.174 6.924 1.00 1.34 N ATOM 0 H LYS A 40 6.282 7.015 2.763 1.00 0.39 H new ATOM 0 HA LYS A 40 6.104 7.190 5.592 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.776 9.019 3.853 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.227 8.292 3.474 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.814 10.092 4.998 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.549 8.599 5.877 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.821 9.983 7.338 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.946 8.786 6.728 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.745 10.411 5.016 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.623 11.609 5.631 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.830 11.932 6.528 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.751 11.523 7.774 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.838 10.363 7.177 1.00 1.34 H new ATOM 748 N ILE A 41 3.703 5.609 3.973 1.00 0.29 N ATOM 749 CA ILE A 41 2.601 4.681 4.124 1.00 0.26 C ATOM 750 C ILE A 41 3.056 3.408 4.827 1.00 0.27 C ATOM 751 O ILE A 41 2.393 2.934 5.744 1.00 0.27 O ATOM 752 CB ILE A 41 1.991 4.341 2.753 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.354 5.591 2.152 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.971 3.220 2.875 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.936 5.430 0.713 1.00 0.39 C ATOM 0 H ILE A 41 3.940 5.822 3.004 1.00 0.29 H new ATOM 0 HA ILE A 41 1.838 5.159 4.738 1.00 0.26 H new ATOM 0 HB ILE A 41 2.784 3.994 2.091 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.481 5.864 2.746 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.060 6.418 2.225 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.554 2.999 1.892 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.456 2.329 3.273 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.170 3.528 3.547 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.492 6.360 0.357 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.808 5.188 0.106 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.205 4.625 0.634 1.00 0.39 H new ATOM 767 N LEU A 42 4.197 2.872 4.411 1.00 0.31 N ATOM 768 CA LEU A 42 4.734 1.662 5.022 1.00 0.35 C ATOM 769 C LEU A 42 5.128 1.895 6.473 1.00 0.35 C ATOM 770 O LEU A 42 5.016 0.999 7.309 1.00 0.38 O ATOM 771 CB LEU A 42 5.961 1.154 4.264 1.00 0.39 C ATOM 772 CG LEU A 42 5.693 0.525 2.899 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.945 -0.166 2.392 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.524 -0.450 2.955 1.00 0.40 C ATOM 0 H LEU A 42 4.767 3.254 3.656 1.00 0.31 H new ATOM 0 HA LEU A 42 3.940 0.916 4.977 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.650 1.988 4.129 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.469 0.418 4.887 1.00 0.39 H new ATOM 0 HG LEU A 42 5.422 1.320 2.205 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.745 -0.612 1.418 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.750 0.563 2.299 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.240 -0.946 3.094 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.361 -0.879 1.967 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.748 -1.247 3.664 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.625 0.078 3.274 1.00 0.40 H new ATOM 786 N HIS A 43 5.579 3.107 6.766 1.00 0.35 N ATOM 787 CA HIS A 43 5.891 3.479 8.137 1.00 0.37 C ATOM 788 C HIS A 43 4.614 3.513 8.974 1.00 0.35 C ATOM 789 O HIS A 43 4.562 2.915 10.043 1.00 0.40 O ATOM 790 CB HIS A 43 6.599 4.835 8.189 1.00 0.40 C ATOM 791 CG HIS A 43 7.264 5.111 9.504 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.613 4.930 9.711 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.762 5.555 10.681 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.912 5.246 10.955 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.808 5.630 11.566 1.00 0.92 N ATOM 0 H HIS A 43 5.736 3.844 6.078 1.00 0.35 H new ATOM 0 HA HIS A 43 6.566 2.730 8.551 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.347 4.877 7.397 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.874 5.623 7.985 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.731 5.804 10.885 1.00 1.23 H new ATOM 0 HE1 HIS A 43 9.895 5.199 11.399 1.00 0.93 H new ATOM 0 HE2 HIS A 43 7.742 5.933 12.538 1.00 0.92 H new ATOM 804 N TYR A 44 3.583 4.211 8.481 1.00 0.30 N ATOM 805 CA TYR A 44 2.276 4.224 9.141 1.00 0.30 C ATOM 806 C TYR A 44 1.771 2.804 9.337 1.00 0.32 C ATOM 807 O TYR A 44 1.270 2.439 10.401 1.00 0.40 O ATOM 808 CB TYR A 44 1.255 4.972 8.288 1.00 0.31 C ATOM 809 CG TYR A 44 1.469 6.457 8.203 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.079 7.132 9.243 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.093 7.176 7.079 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.310 8.484 9.172 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.327 8.530 6.994 1.00 0.50 C ATOM 814 CZ TYR A 44 1.789 9.204 8.047 1.00 0.58 C ATOM 815 OH TYR A 44 2.196 10.530 7.968 1.00 0.68 O ATOM 0 H TYR A 44 3.630 4.772 7.630 1.00 0.30 H new ATOM 0 HA TYR A 44 2.395 4.720 10.104 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.273 4.559 7.280 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.260 4.785 8.691 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.379 6.588 10.126 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.610 6.667 6.258 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.870 8.992 9.944 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.135 9.050 6.067 1.00 0.50 H new ATOM 0 HH TYR A 44 3.104 10.615 8.326 1.00 0.68 H new ATOM 825 N TYR A 45 1.913 2.033 8.276 1.00 0.30 N ATOM 826 CA TYR A 45 1.467 0.659 8.209 1.00 0.33 C ATOM 827 C TYR A 45 2.093 -0.200 9.309 1.00 0.40 C ATOM 828 O TYR A 45 1.387 -0.895 10.042 1.00 0.42 O ATOM 829 CB TYR A 45 1.829 0.128 6.821 1.00 0.35 C ATOM 830 CG TYR A 45 1.543 -1.321 6.598 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.325 -1.848 6.980 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.478 -2.158 6.021 1.00 0.49 C ATOM 833 CE1 TYR A 45 0.037 -3.175 6.797 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.204 -3.492 5.828 1.00 0.54 C ATOM 835 CZ TYR A 45 1.053 -4.003 6.154 1.00 0.53 C ATOM 836 OH TYR A 45 0.684 -5.326 6.031 1.00 0.58 O ATOM 0 H TYR A 45 2.354 2.356 7.415 1.00 0.30 H new ATOM 0 HA TYR A 45 0.390 0.612 8.369 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.285 0.708 6.075 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.891 0.303 6.649 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.414 -1.202 7.431 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.435 -1.760 5.718 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -0.906 -3.593 7.116 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.961 -4.129 5.396 1.00 0.54 H new ATOM 0 HH TYR A 45 1.404 -5.827 5.593 1.00 0.58 H new ATOM 846 N ASP A 46 3.411 -0.138 9.432 1.00 0.43 N ATOM 847 CA ASP A 46 4.116 -0.978 10.393 1.00 0.51 C ATOM 848 C ASP A 46 3.873 -0.504 11.823 1.00 0.53 C ATOM 849 O ASP A 46 4.038 -1.265 12.778 1.00 0.60 O ATOM 850 CB ASP A 46 5.620 -1.007 10.095 1.00 0.58 C ATOM 851 CG ASP A 46 6.369 -1.983 10.983 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.204 -3.210 10.806 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.136 -1.526 11.857 1.00 1.14 O ATOM 0 H ASP A 46 4.011 0.479 8.884 1.00 0.43 H new ATOM 0 HA ASP A 46 3.722 -1.990 10.295 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.775 -1.278 9.051 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.033 -0.007 10.230 1.00 0.58 H new ATOM 858 N GLU A 47 3.448 0.745 11.970 1.00 0.49 N ATOM 859 CA GLU A 47 3.165 1.313 13.278 1.00 0.51 C ATOM 860 C GLU A 47 1.710 1.057 13.666 1.00 0.49 C ATOM 861 O GLU A 47 1.190 1.667 14.602 1.00 0.58 O ATOM 862 CB GLU A 47 3.440 2.817 13.262 1.00 0.53 C ATOM 863 CG GLU A 47 4.896 3.171 13.009 1.00 1.21 C ATOM 864 CD GLU A 47 5.791 2.877 14.195 1.00 1.73 C ATOM 865 OE1 GLU A 47 6.073 1.688 14.446 1.00 2.22 O ATOM 866 OE2 GLU A 47 6.213 3.826 14.884 1.00 2.21 O ATOM 0 H GLU A 47 3.292 1.386 11.192 1.00 0.49 H new ATOM 0 HA GLU A 47 3.813 0.836 14.013 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.824 3.282 12.492 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.133 3.243 14.217 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.255 2.614 12.143 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.969 4.230 12.759 1.00 1.21 H new ATOM 873 N LEU A 48 1.050 0.163 12.945 1.00 0.44 N ATOM 874 CA LEU A 48 -0.320 -0.178 13.224 1.00 0.46 C ATOM 875 C LEU A 48 -0.410 -1.494 13.951 1.00 0.69 C ATOM 876 O LEU A 48 0.498 -2.321 13.908 1.00 1.11 O ATOM 877 CB LEU A 48 -1.124 -0.275 11.934 1.00 0.37 C ATOM 878 CG LEU A 48 -1.507 1.048 11.291 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.052 0.790 9.911 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.551 1.763 12.123 1.00 0.47 C ATOM 0 H LEU A 48 1.455 -0.340 12.155 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.731 0.612 13.853 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.548 -0.855 11.212 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.036 -0.835 12.138 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.621 1.680 11.229 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.328 1.736 9.446 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.291 0.297 9.306 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.932 0.150 9.981 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.812 2.708 11.646 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.441 1.139 12.204 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.152 1.957 13.119 1.00 0.47 H new ATOM 892 N GLU A 49 -1.522 -1.665 14.616 1.00 0.61 N ATOM 893 CA GLU A 49 -1.826 -2.903 15.315 1.00 0.86 C ATOM 894 C GLU A 49 -3.332 -3.148 15.348 1.00 0.61 C ATOM 895 O GLU A 49 -4.116 -2.302 14.912 1.00 1.16 O ATOM 896 CB GLU A 49 -1.278 -2.869 16.738 1.00 1.42 C ATOM 897 CG GLU A 49 -1.808 -1.711 17.559 1.00 1.33 C ATOM 898 CD GLU A 49 -1.584 -1.894 19.045 1.00 2.01 C ATOM 899 OE1 GLU A 49 -0.421 -1.791 19.487 1.00 2.19 O ATOM 900 OE2 GLU A 49 -2.565 -2.134 19.778 1.00 2.83 O ATOM 0 H GLU A 49 -2.249 -0.954 14.693 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.347 -3.719 14.773 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -1.529 -3.804 17.238 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -0.190 -2.810 16.699 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -1.324 -0.790 17.234 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -2.875 -1.595 17.369 1.00 1.33 H new ATOM 907 N GLY A 50 -3.718 -4.322 15.841 1.00 0.74 N ATOM 908 CA GLY A 50 -5.119 -4.641 16.031 1.00 0.61 C ATOM 909 C GLY A 50 -5.921 -4.603 14.749 1.00 0.54 C ATOM 910 O GLY A 50 -5.415 -4.944 13.671 1.00 0.54 O ATOM 0 H GLY A 50 -3.075 -5.065 16.115 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -5.202 -5.634 16.474 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.551 -3.938 16.743 1.00 0.61 H new ATOM 914 N ASP A 51 -7.170 -4.175 14.868 1.00 0.54 N ATOM 915 CA ASP A 51 -8.073 -4.091 13.729 1.00 0.52 C ATOM 916 C ASP A 51 -7.554 -3.093 12.714 1.00 0.46 C ATOM 917 O ASP A 51 -7.736 -3.292 11.519 1.00 0.46 O ATOM 918 CB ASP A 51 -9.483 -3.695 14.178 1.00 0.58 C ATOM 919 CG ASP A 51 -10.146 -4.747 15.040 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.938 -4.735 16.273 1.00 2.37 O ATOM 921 OD2 ASP A 51 -10.886 -5.590 14.491 1.00 2.06 O ATOM 0 H ASP A 51 -7.584 -3.878 15.752 1.00 0.54 H new ATOM 0 HA ASP A 51 -8.121 -5.076 13.264 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.432 -2.758 14.733 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -10.100 -3.512 13.299 1.00 0.58 H new ATOM 926 N ALA A 52 -6.893 -2.035 13.167 1.00 0.43 N ATOM 927 CA ALA A 52 -6.411 -1.020 12.241 1.00 0.41 C ATOM 928 C ALA A 52 -5.410 -1.632 11.281 1.00 0.40 C ATOM 929 O ALA A 52 -5.503 -1.458 10.069 1.00 0.40 O ATOM 930 CB ALA A 52 -5.811 0.160 12.972 1.00 0.42 C ATOM 0 H ALA A 52 -6.682 -1.859 14.149 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.261 -0.645 11.672 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.462 0.897 12.249 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.566 0.612 13.615 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.972 -0.177 13.580 1.00 0.42 H new ATOM 936 N LYS A 53 -4.439 -2.342 11.853 1.00 0.40 N ATOM 937 CA LYS A 53 -3.394 -2.995 11.083 1.00 0.41 C ATOM 938 C LYS A 53 -4.016 -3.952 10.079 1.00 0.41 C ATOM 939 O LYS A 53 -3.732 -3.874 8.887 1.00 0.40 O ATOM 940 CB LYS A 53 -2.443 -3.749 12.022 1.00 0.47 C ATOM 941 CG LYS A 53 -1.031 -3.945 11.478 1.00 0.52 C ATOM 942 CD LYS A 53 -0.973 -4.972 10.362 1.00 0.94 C ATOM 943 CE LYS A 53 0.426 -5.083 9.775 1.00 0.83 C ATOM 944 NZ LYS A 53 0.477 -6.053 8.649 1.00 1.62 N ATOM 0 H LYS A 53 -4.359 -2.478 12.861 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.823 -2.241 10.542 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.382 -3.208 12.966 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.872 -4.727 12.242 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.652 -2.992 11.110 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.373 -4.258 12.289 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -1.286 -5.944 10.744 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.677 -4.697 9.577 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.752 -4.103 9.426 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.123 -5.393 10.553 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.054 -6.874 8.924 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 -0.487 -6.369 8.419 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.900 -5.596 7.816 1.00 1.62 H new ATOM 958 N LYS A 54 -4.856 -4.854 10.577 1.00 0.44 N ATOM 959 CA LYS A 54 -5.558 -5.802 9.718 1.00 0.47 C ATOM 960 C LYS A 54 -6.290 -5.072 8.592 1.00 0.44 C ATOM 961 O LYS A 54 -6.205 -5.472 7.433 1.00 0.46 O ATOM 962 CB LYS A 54 -6.531 -6.657 10.533 1.00 0.52 C ATOM 963 CG LYS A 54 -7.998 -6.321 10.331 1.00 0.99 C ATOM 964 CD LYS A 54 -8.867 -7.415 10.892 1.00 0.97 C ATOM 965 CE LYS A 54 -10.344 -7.044 10.870 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.868 -6.866 9.488 1.00 2.49 N ATOM 0 H LYS A 54 -5.067 -4.949 11.570 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.819 -6.465 9.269 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.374 -7.705 10.277 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.290 -6.548 11.590 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.232 -5.375 10.819 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.205 -6.191 9.269 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.715 -8.328 10.317 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.563 -7.629 11.917 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.918 -7.821 11.375 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.492 -6.122 11.432 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.880 -6.631 9.528 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.352 -6.095 9.018 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.738 -7.747 8.951 1.00 2.49 H new ATOM 980 N GLU A 55 -6.968 -3.981 8.928 1.00 0.42 N ATOM 981 CA GLU A 55 -7.706 -3.214 7.952 1.00 0.41 C ATOM 982 C GLU A 55 -6.768 -2.546 6.971 1.00 0.39 C ATOM 983 O GLU A 55 -6.985 -2.634 5.763 1.00 0.41 O ATOM 984 CB GLU A 55 -8.571 -2.184 8.667 1.00 0.42 C ATOM 985 CG GLU A 55 -9.774 -2.796 9.347 1.00 0.89 C ATOM 986 CD GLU A 55 -10.672 -3.535 8.377 1.00 1.39 C ATOM 987 OE1 GLU A 55 -10.395 -4.718 8.084 1.00 2.27 O ATOM 988 OE2 GLU A 55 -11.656 -2.933 7.901 1.00 1.34 O ATOM 0 H GLU A 55 -7.017 -3.612 9.878 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.350 -3.885 7.384 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -7.967 -1.662 9.409 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.907 -1.437 7.948 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.438 -3.484 10.123 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.346 -2.011 9.842 1.00 0.89 H new ATOM 995 N ALA A 56 -5.733 -1.890 7.464 1.00 0.36 N ATOM 996 CA ALA A 56 -4.814 -1.209 6.581 1.00 0.34 C ATOM 997 C ALA A 56 -4.185 -2.217 5.635 1.00 0.36 C ATOM 998 O ALA A 56 -4.158 -2.012 4.425 1.00 0.37 O ATOM 999 CB ALA A 56 -3.755 -0.457 7.370 1.00 0.31 C ATOM 0 H ALA A 56 -5.513 -1.817 8.457 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.362 -0.471 5.996 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.077 0.046 6.681 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.235 0.282 8.011 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.192 -1.159 7.985 1.00 0.31 H new ATOM 1005 N THR A 57 -3.689 -3.306 6.208 1.00 0.38 N ATOM 1006 CA THR A 57 -3.072 -4.373 5.439 1.00 0.41 C ATOM 1007 C THR A 57 -3.984 -4.888 4.330 1.00 0.44 C ATOM 1008 O THR A 57 -3.585 -5.004 3.177 1.00 0.45 O ATOM 1009 CB THR A 57 -2.706 -5.576 6.327 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.964 -5.147 7.471 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.897 -6.592 5.541 1.00 0.51 C ATOM 0 H THR A 57 -3.704 -3.472 7.214 1.00 0.38 H new ATOM 0 HA THR A 57 -2.174 -3.933 5.005 1.00 0.41 H new ATOM 0 HB THR A 57 -3.631 -6.045 6.662 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.557 -4.662 8.082 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.647 -7.435 6.185 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.482 -6.945 4.692 1.00 0.51 H new ATOM 0 HG23 THR A 57 -0.980 -6.127 5.181 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.229 -5.175 4.716 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.252 -5.647 3.791 1.00 0.49 C ATOM 1021 C GLU A 58 -6.543 -4.615 2.703 1.00 0.48 C ATOM 1022 O GLU A 58 -6.730 -4.974 1.538 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.534 -5.997 4.551 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.480 -7.354 5.241 1.00 0.78 C ATOM 1025 CD GLU A 58 -7.171 -8.483 4.279 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -7.834 -8.566 3.220 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -6.274 -9.298 4.581 1.00 1.71 O ATOM 0 H GLU A 58 -5.553 -5.086 5.679 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.872 -6.545 3.303 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.726 -5.226 5.297 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.374 -5.985 3.856 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.722 -7.330 6.023 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -8.435 -7.548 5.729 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.567 -3.338 3.072 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.801 -2.271 2.103 1.00 0.43 C ATOM 1036 C HIS A 59 -5.608 -2.136 1.173 1.00 0.42 C ATOM 1037 O HIS A 59 -5.760 -1.859 -0.017 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.081 -0.933 2.800 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.365 -0.911 3.575 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.516 -1.534 3.139 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.673 -0.358 4.772 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.471 -1.365 4.032 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.987 -0.654 5.032 1.00 0.57 N ATOM 0 H HIS A 59 -6.428 -3.017 4.030 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.682 -2.537 1.519 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.256 -0.706 3.475 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.106 -0.142 2.051 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.008 0.211 5.405 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.479 -1.745 3.957 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.505 -0.370 5.863 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.421 -2.350 1.718 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.208 -2.333 0.920 1.00 0.40 C ATOM 1054 C LEU A 60 -3.151 -3.564 0.028 1.00 0.43 C ATOM 1055 O LEU A 60 -2.623 -3.507 -1.082 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.966 -2.267 1.812 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.862 -1.026 2.695 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -0.558 -1.034 3.475 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -1.972 0.227 1.851 1.00 0.59 C ATOM 0 H LEU A 60 -4.273 -2.537 2.710 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.224 -1.441 0.294 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -1.951 -3.150 2.451 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.081 -2.317 1.178 1.00 0.39 H new ATOM 0 HG LEU A 60 -2.685 -1.036 3.409 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -0.502 -0.142 4.099 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -0.517 -1.921 4.107 1.00 0.62 H new ATOM 0 HD13 LEU A 60 0.282 -1.044 2.780 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -1.896 1.105 2.492 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -1.166 0.243 1.117 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -2.933 0.235 1.336 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.705 -4.676 0.510 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.790 -5.889 -0.288 1.00 0.50 C ATOM 1073 C LYS A 61 -4.670 -5.643 -1.494 1.00 0.53 C ATOM 1074 O LYS A 61 -4.244 -5.855 -2.619 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.358 -7.062 0.517 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.412 -7.633 1.558 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.058 -8.799 2.289 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.173 -9.339 3.399 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.880 -10.359 4.214 1.00 0.67 N ATOM 0 H LYS A 61 -4.099 -4.758 1.447 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.779 -6.150 -0.601 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.271 -6.735 1.015 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.639 -7.857 -0.174 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.491 -7.964 1.077 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.138 -6.857 2.272 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.011 -8.479 2.709 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.275 -9.597 1.578 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.273 -9.777 2.967 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.852 -8.519 4.041 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.246 -10.706 4.962 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.725 -9.934 4.646 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.165 -11.153 3.606 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.900 -5.198 -1.252 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.802 -4.865 -2.337 1.00 0.56 C ATOM 1095 C GLY A 62 -6.215 -3.806 -3.248 1.00 0.55 C ATOM 1096 O GLY A 62 -6.334 -3.891 -4.467 1.00 0.59 O ATOM 0 H GLY A 62 -6.288 -5.062 -0.319 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.022 -5.762 -2.916 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.748 -4.510 -1.928 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.572 -2.809 -2.649 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.892 -1.786 -3.417 1.00 0.49 C ATOM 1102 C GLY A 63 -3.850 -2.355 -4.357 1.00 0.49 C ATOM 1103 O GLY A 63 -3.861 -2.070 -5.557 1.00 0.50 O ATOM 0 H GLY A 63 -5.511 -2.692 -1.638 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.626 -1.222 -3.993 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.414 -1.083 -2.735 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.959 -3.169 -3.820 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.911 -3.773 -4.621 1.00 0.55 C ATOM 1109 C CYS A 64 -2.483 -4.873 -5.512 1.00 0.56 C ATOM 1110 O CYS A 64 -1.909 -5.205 -6.547 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.797 -4.315 -3.728 1.00 0.68 C ATOM 1112 SG CYS A 64 0.593 -5.042 -4.654 1.00 1.13 S ATOM 0 H CYS A 64 -2.941 -3.427 -2.833 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.483 -3.005 -5.266 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.421 -3.507 -3.100 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.213 -5.070 -3.061 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.616 -5.436 -5.108 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.345 -6.378 -5.947 1.00 0.67 C ATOM 1119 C ARG A 65 -4.745 -5.686 -7.237 1.00 0.65 C ATOM 1120 O ARG A 65 -4.590 -6.239 -8.321 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.595 -6.897 -5.227 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.394 -7.920 -6.026 1.00 0.86 C ATOM 1123 CD ARG A 65 -5.675 -9.258 -6.110 1.00 1.49 C ATOM 1124 NE ARG A 65 -5.505 -9.868 -4.791 1.00 2.07 N ATOM 1125 CZ ARG A 65 -4.989 -11.079 -4.586 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -4.638 -11.844 -5.615 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -4.842 -11.537 -3.346 1.00 3.80 N ATOM 0 H ARG A 65 -4.050 -5.256 -4.203 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.700 -7.229 -6.165 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.296 -7.345 -4.280 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.241 -6.052 -4.990 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -7.371 -8.061 -5.563 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.570 -7.538 -7.032 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -6.239 -9.934 -6.753 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -4.699 -9.117 -6.574 1.00 1.49 H new ATOM 0 HE ARG A 65 -5.801 -9.331 -3.976 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -4.763 -11.505 -6.569 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -4.244 -12.770 -5.451 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -5.124 -10.961 -2.553 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -4.447 -12.464 -3.188 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.236 -4.460 -7.104 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.595 -3.645 -8.254 1.00 0.55 C ATOM 1143 C GLU A 66 -4.357 -3.322 -9.083 1.00 0.48 C ATOM 1144 O GLU A 66 -4.428 -3.222 -10.307 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.281 -2.356 -7.805 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.559 -2.589 -7.015 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.587 -3.394 -7.783 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -9.214 -2.834 -8.707 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.782 -4.583 -7.464 1.00 2.02 O ATOM 0 H GLU A 66 -5.395 -4.007 -6.204 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.292 -4.211 -8.872 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.587 -1.779 -7.194 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.512 -1.752 -8.683 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.317 -3.108 -6.087 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.990 -1.627 -6.739 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.221 -3.159 -8.410 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.952 -2.946 -9.096 1.00 0.47 C ATOM 1158 C ILE A 67 -1.540 -4.195 -9.863 1.00 0.45 C ATOM 1159 O ILE A 67 -1.144 -4.115 -11.022 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.826 -2.547 -8.120 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.163 -1.210 -7.460 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.517 -2.470 -8.845 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.156 -0.763 -6.426 1.00 0.81 C ATOM 0 H ILE A 67 -3.154 -3.170 -7.392 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.104 -2.122 -9.794 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.744 -3.310 -7.346 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.239 -0.445 -8.232 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.143 -1.286 -6.989 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.297 -2.187 -8.138 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.754 -3.443 -9.276 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.460 -1.725 -9.639 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.467 0.193 -6.005 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.095 -1.507 -5.632 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.822 -0.652 -6.895 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.652 -5.351 -9.216 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.339 -6.629 -9.850 1.00 0.80 C ATOM 1177 C LEU A 68 -2.320 -6.891 -10.993 1.00 0.82 C ATOM 1178 O LEU A 68 -1.998 -7.548 -11.984 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.394 -7.752 -8.810 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.745 -9.066 -9.237 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.699 -8.828 -9.648 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -0.820 -10.084 -8.110 1.00 1.71 C ATOM 0 H LEU A 68 -1.959 -5.430 -8.247 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.331 -6.596 -10.263 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.908 -7.405 -7.898 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.438 -7.945 -8.562 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.288 -9.463 -10.094 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.152 -9.772 -9.951 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.729 -8.127 -10.483 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.253 -8.413 -8.806 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.353 -11.016 -8.430 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.297 -9.698 -7.235 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -1.864 -10.270 -7.856 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.488 -6.290 -10.846 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.491 -6.327 -11.903 1.00 1.24 C ATOM 1196 C LYS A 69 -4.047 -5.514 -13.108 1.00 1.20 C ATOM 1197 O LYS A 69 -4.631 -5.599 -14.188 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.845 -5.827 -11.418 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.603 -6.828 -10.569 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.936 -6.255 -10.133 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.754 -7.263 -9.351 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.962 -6.630 -8.763 1.00 2.22 N ATOM 0 H LYS A 69 -3.767 -5.773 -10.012 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.598 -7.371 -12.198 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.698 -4.914 -10.841 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.455 -5.564 -12.282 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.763 -7.746 -11.135 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -6.011 -7.093 -9.693 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.768 -5.370 -9.520 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.498 -5.933 -11.010 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.051 -8.082 -10.006 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.143 -7.695 -8.558 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.324 -7.225 -7.991 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.715 -5.691 -8.390 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.693 -6.531 -9.496 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.019 -4.713 -12.908 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.462 -3.905 -13.966 1.00 1.16 C ATOM 1218 C HIS A 70 -1.188 -4.557 -14.473 1.00 0.91 C ATOM 1219 O HIS A 70 -1.052 -4.884 -15.650 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.188 -2.481 -13.473 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.603 -1.581 -14.518 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.293 -0.536 -15.089 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.379 -1.577 -15.088 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.519 0.070 -15.968 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.349 -0.542 -15.988 1.00 1.74 N ATOM 0 H HIS A 70 -2.550 -4.607 -12.009 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.179 -3.837 -14.784 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.120 -2.046 -13.113 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.507 -2.526 -12.623 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.428 -2.262 -14.875 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.795 0.923 -16.570 1.00 1.76 H new ATOM 0 HE2 HIS A 70 0.445 -0.287 -16.575 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.255 -4.729 -13.538 1.00 0.76 N ATOM 1235 CA VAL A 71 1.089 -5.140 -13.839 1.00 0.69 C ATOM 1236 C VAL A 71 1.155 -6.560 -14.394 1.00 0.52 C ATOM 1237 O VAL A 71 1.779 -6.786 -15.423 1.00 0.59 O ATOM 1238 CB VAL A 71 2.000 -4.956 -12.600 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.441 -5.612 -11.382 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.393 -5.447 -12.854 1.00 1.46 C ATOM 0 H VAL A 71 -0.427 -4.582 -12.543 1.00 0.76 H new ATOM 0 HA VAL A 71 1.462 -4.493 -14.633 1.00 0.69 H new ATOM 0 HB VAL A 71 2.040 -3.883 -12.415 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.117 -5.454 -10.541 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.467 -5.181 -11.151 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.330 -6.681 -11.563 1.00 1.01 H new ATOM 0 HG21 VAL A 71 3.999 -5.300 -11.960 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.365 -6.508 -13.103 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.829 -4.891 -13.684 1.00 1.46 H new ATOM 1250 N VAL A 72 0.517 -7.520 -13.748 1.00 0.44 N ATOM 1251 CA VAL A 72 0.502 -8.850 -14.308 1.00 0.46 C ATOM 1252 C VAL A 72 -0.754 -9.061 -15.150 1.00 0.47 C ATOM 1253 O VAL A 72 -0.689 -9.637 -16.238 1.00 0.64 O ATOM 1254 CB VAL A 72 0.635 -9.954 -13.237 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.695 -10.259 -12.563 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.246 -11.181 -13.869 1.00 0.80 C ATOM 0 H VAL A 72 0.019 -7.407 -12.865 1.00 0.44 H new ATOM 0 HA VAL A 72 1.380 -8.933 -14.949 1.00 0.46 H new ATOM 0 HB VAL A 72 1.293 -9.600 -12.443 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.554 -11.041 -11.817 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.072 -9.359 -12.078 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.413 -10.596 -13.311 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.344 -11.966 -13.119 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.606 -11.530 -14.679 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.231 -10.934 -14.266 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.890 -8.570 -14.664 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.133 -8.716 -15.389 1.00 0.48 C ATOM 1268 C GLY A 73 -4.150 -9.542 -14.626 1.00 0.50 C ATOM 1269 O GLY A 73 -3.835 -10.126 -13.586 1.00 0.55 O ATOM 0 H GLY A 73 -1.969 -8.072 -13.777 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.549 -7.730 -15.594 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.936 -9.186 -16.353 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.365 -9.592 -15.151 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.457 -10.316 -14.515 1.00 0.58 C ATOM 1275 C GLU A 74 -6.187 -11.815 -14.468 1.00 0.53 C ATOM 1276 O GLU A 74 -6.378 -12.435 -13.426 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.766 -10.032 -15.245 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.308 -8.640 -14.974 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.000 -8.549 -13.630 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -8.298 -8.613 -12.595 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -10.233 -8.391 -13.595 1.00 2.31 O ATOM 0 H GLU A 74 -5.622 -9.134 -16.026 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.537 -9.966 -13.486 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.611 -10.153 -16.317 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.510 -10.770 -14.945 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -7.490 -7.920 -15.010 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -9.009 -8.365 -15.762 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.743 -12.378 -15.596 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.373 -13.796 -15.694 1.00 0.55 C ATOM 1290 C GLU A 75 -4.645 -14.281 -14.443 1.00 0.53 C ATOM 1291 O GLU A 75 -5.125 -15.157 -13.722 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.472 -14.008 -16.914 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.940 -15.426 -17.044 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.865 -15.554 -18.100 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.209 -15.690 -19.294 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.670 -15.516 -17.750 1.00 2.00 O ATOM 0 H GLU A 75 -5.629 -11.863 -16.469 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.293 -14.372 -15.795 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -5.031 -13.755 -17.815 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.630 -13.318 -16.857 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.539 -15.748 -16.083 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.764 -16.097 -17.287 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.488 -13.696 -14.200 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.603 -14.153 -13.148 1.00 0.51 C ATOM 1305 C LYS A 76 -3.182 -13.859 -11.771 1.00 0.55 C ATOM 1306 O LYS A 76 -3.217 -14.734 -10.913 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.244 -13.493 -13.322 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.224 -13.868 -12.265 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.121 -15.374 -12.056 1.00 1.43 C ATOM 1310 CE LYS A 76 0.641 -16.077 -13.177 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.095 -16.098 -14.472 1.00 1.13 N ATOM 0 H LYS A 76 -3.137 -12.894 -14.724 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.491 -15.235 -13.221 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.848 -13.759 -14.302 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.376 -12.411 -13.314 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.752 -13.478 -12.553 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.492 -13.392 -11.322 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.376 -15.571 -11.106 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -1.124 -15.796 -11.985 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.600 -15.580 -13.321 1.00 0.71 H new ATOM 0 HE3 LYS A 76 0.855 -17.102 -12.873 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.255 -16.883 -15.058 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -1.111 -16.227 -14.292 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.057 -15.199 -14.972 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.647 -12.636 -11.561 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.188 -12.243 -10.266 1.00 0.64 C ATOM 1327 C ALA A 77 -5.392 -13.108 -9.902 1.00 0.65 C ATOM 1328 O ALA A 77 -5.638 -13.388 -8.728 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.563 -10.767 -10.275 1.00 0.68 C ATOM 0 H ALA A 77 -3.661 -11.900 -12.267 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.420 -12.397 -9.507 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -4.966 -10.488 -9.301 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.677 -10.168 -10.487 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.315 -10.587 -11.043 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.119 -13.547 -10.926 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.270 -14.414 -10.745 1.00 0.67 C ATOM 1337 C ALA A 78 -6.834 -15.814 -10.325 1.00 0.67 C ATOM 1338 O ALA A 78 -7.387 -16.392 -9.388 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.079 -14.469 -12.032 1.00 0.66 C ATOM 0 H ALA A 78 -5.925 -13.311 -11.899 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.895 -14.006 -9.950 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.942 -15.120 -11.892 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.420 -13.466 -12.291 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.456 -14.860 -12.837 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.821 -16.348 -11.003 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.333 -17.691 -10.708 1.00 0.65 C ATOM 1347 C GLU A 79 -4.652 -17.727 -9.346 1.00 0.66 C ATOM 1348 O GLU A 79 -4.579 -18.772 -8.709 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.406 -18.176 -11.807 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.007 -17.665 -11.678 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.147 -18.037 -12.863 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.306 -17.428 -13.940 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -1.311 -18.953 -12.726 1.00 1.33 O ATOM 0 H GLU A 79 -5.325 -15.873 -11.757 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.185 -18.370 -10.670 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -4.388 -19.266 -11.801 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -4.809 -17.869 -12.772 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -3.027 -16.580 -11.574 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -2.560 -18.065 -10.768 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.180 -16.573 -8.894 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.575 -16.452 -7.577 1.00 0.70 C ATOM 1362 C LEU A 80 -4.637 -16.384 -6.494 1.00 0.74 C ATOM 1363 O LEU A 80 -4.457 -16.915 -5.395 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.692 -15.211 -7.535 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.510 -15.257 -8.496 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.843 -13.904 -8.579 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.524 -16.321 -8.060 1.00 0.98 C ATOM 0 H LEU A 80 -4.206 -15.703 -9.425 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.965 -17.336 -7.389 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.301 -14.337 -7.766 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.317 -15.079 -6.520 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.875 -15.514 -9.490 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.001 -13.955 -9.270 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.561 -13.166 -8.936 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.485 -13.614 -7.591 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.316 -16.345 -8.754 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.161 -16.092 -7.058 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.017 -17.293 -8.054 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.746 -15.732 -6.804 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.848 -15.627 -5.867 1.00 0.79 C ATOM 1381 C LYS A 81 -7.513 -16.991 -5.708 1.00 0.77 C ATOM 1382 O LYS A 81 -7.857 -17.407 -4.600 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.858 -14.581 -6.350 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.927 -14.230 -5.326 1.00 1.18 C ATOM 1385 CD LYS A 81 -8.320 -13.661 -4.052 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.390 -13.147 -3.098 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.366 -14.206 -2.725 1.00 2.12 N ATOM 0 H LYS A 81 -5.905 -15.268 -7.698 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.469 -15.306 -4.897 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.321 -13.673 -6.625 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.343 -14.950 -7.254 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -9.618 -13.505 -5.755 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.508 -15.121 -5.086 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -7.729 -14.431 -3.555 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -7.638 -12.849 -4.305 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -8.915 -12.759 -2.197 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.919 -12.315 -3.562 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -10.981 -13.858 -1.962 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -10.946 -14.451 -3.553 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -9.854 -15.050 -2.398 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.664 -17.695 -6.825 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.209 -19.048 -6.808 1.00 0.75 C ATOM 1403 C ASN A 82 -7.200 -20.007 -6.200 1.00 0.74 C ATOM 1404 O ASN A 82 -7.585 -20.995 -5.579 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.579 -19.494 -8.223 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.299 -20.831 -8.249 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.524 -20.892 -8.124 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.550 -21.908 -8.430 1.00 1.54 N ATOM 0 H ASN A 82 -7.417 -17.351 -7.753 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.113 -19.053 -6.199 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.213 -18.736 -8.684 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.674 -19.562 -8.826 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -8.984 -22.830 -8.470 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -7.539 -21.815 -8.529 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.915 -19.725 -6.374 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.883 -20.591 -5.833 1.00 0.72 C ATOM 1417 C LEU A 83 -5.057 -20.715 -4.332 1.00 0.74 C ATOM 1418 O LEU A 83 -5.142 -21.819 -3.796 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.504 -20.030 -6.156 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.675 -20.843 -7.157 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.349 -20.154 -7.431 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.437 -22.258 -6.643 1.00 1.37 C ATOM 0 H LEU A 83 -5.568 -18.911 -6.881 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.972 -21.578 -6.286 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.625 -19.020 -6.548 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.939 -19.946 -5.228 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.237 -20.907 -8.089 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.773 -20.744 -8.144 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.533 -19.163 -7.846 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.789 -20.060 -6.501 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.847 -22.815 -7.371 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.899 -22.215 -5.696 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.395 -22.757 -6.494 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.127 -19.571 -3.666 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.358 -19.528 -2.226 1.00 0.81 C ATOM 1436 C LYS A 84 -6.620 -20.303 -1.867 1.00 0.83 C ATOM 1437 O LYS A 84 -6.633 -21.084 -0.917 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.480 -18.081 -1.746 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.761 -17.959 -0.256 1.00 0.96 C ATOM 1440 CD LYS A 84 -5.719 -16.511 0.207 1.00 1.19 C ATOM 1441 CE LYS A 84 -6.122 -16.384 1.667 1.00 1.54 C ATOM 1442 NZ LYS A 84 -5.262 -17.202 2.561 1.00 2.27 N ATOM 0 H LYS A 84 -5.027 -18.654 -4.102 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.506 -19.992 -1.729 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.557 -17.550 -1.978 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.279 -17.589 -2.300 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.740 -18.384 -0.034 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.027 -18.541 0.302 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -4.714 -16.112 0.069 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.387 -15.910 -0.410 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.065 -15.338 1.968 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -7.161 -16.693 1.783 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -5.460 -16.957 3.552 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -5.462 -18.211 2.407 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -4.262 -17.011 2.350 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.662 -20.096 -2.658 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.958 -20.740 -2.431 1.00 0.91 C ATOM 1458 C ASP A 85 -8.870 -22.256 -2.613 1.00 0.90 C ATOM 1459 O ASP A 85 -9.552 -23.014 -1.923 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.992 -20.165 -3.398 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.408 -20.600 -3.083 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -12.024 -20.015 -2.169 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.901 -21.555 -3.724 1.00 2.52 O ATOM 0 H ASP A 85 -7.639 -19.482 -3.472 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.259 -20.541 -1.402 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.939 -19.077 -3.372 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.741 -20.472 -4.413 1.00 0.98 H new ATOM 1468 N SER A 86 -8.030 -22.695 -3.538 1.00 0.86 N ATOM 1469 CA SER A 86 -7.824 -24.119 -3.767 1.00 0.90 C ATOM 1470 C SER A 86 -6.881 -24.712 -2.718 1.00 0.84 C ATOM 1471 O SER A 86 -6.762 -25.931 -2.587 1.00 0.96 O ATOM 1472 CB SER A 86 -7.250 -24.349 -5.167 1.00 0.97 C ATOM 1473 OG SER A 86 -8.109 -23.834 -6.168 1.00 1.52 O ATOM 0 H SER A 86 -7.479 -22.086 -4.143 1.00 0.86 H new ATOM 0 HA SER A 86 -8.789 -24.618 -3.685 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.272 -23.873 -5.244 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.098 -25.416 -5.329 1.00 0.97 H new ATOM 0 HG SER A 86 -8.124 -22.856 -6.115 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.226 -23.840 -1.970 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.349 -24.287 -0.907 1.00 0.88 C ATOM 1481 C GLY A 87 -3.892 -24.002 -1.198 1.00 0.82 C ATOM 1482 O GLY A 87 -3.028 -24.839 -0.938 1.00 0.92 O ATOM 0 H GLY A 87 -6.285 -22.828 -2.079 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.633 -23.796 0.024 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.483 -25.358 -0.756 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.614 -22.826 -1.738 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.238 -22.397 -1.906 1.00 0.76 C ATOM 1488 C ALA A 88 -1.762 -21.795 -0.604 1.00 0.80 C ATOM 1489 O ALA A 88 -2.404 -20.913 -0.021 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.113 -21.379 -3.024 1.00 0.76 C ATOM 0 H ALA A 88 -4.314 -22.160 -2.063 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.625 -23.258 -2.173 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.071 -21.077 -3.126 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.455 -21.822 -3.959 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.723 -20.506 -2.791 1.00 0.76 H new ATOM 1496 N SER A 89 -0.631 -22.305 -0.161 1.00 0.81 N ATOM 1497 CA SER A 89 0.024 -21.837 1.026 1.00 0.86 C ATOM 1498 C SER A 89 0.711 -20.505 0.764 1.00 0.78 C ATOM 1499 O SER A 89 0.662 -19.983 -0.359 1.00 0.77 O ATOM 1500 CB SER A 89 1.042 -22.881 1.473 1.00 0.93 C ATOM 1501 OG SER A 89 1.902 -23.240 0.401 1.00 1.60 O ATOM 0 H SER A 89 -0.140 -23.067 -0.628 1.00 0.81 H new ATOM 0 HA SER A 89 -0.714 -21.686 1.814 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.631 -22.489 2.302 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.524 -23.766 1.841 1.00 0.93 H new ATOM 0 HG SER A 89 2.548 -23.909 0.710 1.00 1.60 H new ATOM 1507 N LYS A 90 1.365 -19.966 1.778 1.00 0.76 N ATOM 1508 CA LYS A 90 2.075 -18.709 1.639 1.00 0.74 C ATOM 1509 C LYS A 90 3.125 -18.802 0.538 1.00 0.69 C ATOM 1510 O LYS A 90 3.396 -17.828 -0.153 1.00 0.67 O ATOM 1511 CB LYS A 90 2.751 -18.333 2.957 1.00 0.81 C ATOM 1512 CG LYS A 90 1.788 -18.267 4.129 1.00 1.29 C ATOM 1513 CD LYS A 90 2.511 -17.943 5.422 1.00 1.77 C ATOM 1514 CE LYS A 90 1.559 -17.956 6.605 1.00 2.22 C ATOM 1515 NZ LYS A 90 0.451 -16.977 6.443 1.00 2.96 N ATOM 0 H LYS A 90 1.418 -20.381 2.708 1.00 0.76 H new ATOM 0 HA LYS A 90 1.351 -17.939 1.373 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.531 -19.061 3.178 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.241 -17.366 2.843 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.028 -17.510 3.935 1.00 1.29 H new ATOM 0 HG3 LYS A 90 1.269 -19.220 4.230 1.00 1.29 H new ATOM 0 HD2 LYS A 90 3.309 -18.667 5.586 1.00 1.77 H new ATOM 0 HD3 LYS A 90 2.982 -16.963 5.342 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.143 -18.957 6.724 1.00 2.22 H new ATOM 0 HE3 LYS A 90 2.112 -17.730 7.517 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 -0.075 -16.896 7.337 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 0.843 -16.048 6.187 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 -0.191 -17.301 5.692 1.00 2.96 H new ATOM 1529 N GLU A 91 3.680 -19.993 0.352 1.00 0.71 N ATOM 1530 CA GLU A 91 4.813 -20.182 -0.543 1.00 0.70 C ATOM 1531 C GLU A 91 4.393 -20.341 -2.003 1.00 0.67 C ATOM 1532 O GLU A 91 5.045 -19.820 -2.899 1.00 0.67 O ATOM 1533 CB GLU A 91 5.626 -21.395 -0.106 1.00 0.73 C ATOM 1534 CG GLU A 91 6.167 -21.279 1.305 1.00 1.30 C ATOM 1535 CD GLU A 91 6.983 -22.484 1.713 1.00 1.74 C ATOM 1536 OE1 GLU A 91 8.157 -22.574 1.305 1.00 2.10 O ATOM 1537 OE2 GLU A 91 6.458 -23.343 2.448 1.00 2.34 O ATOM 0 H GLU A 91 3.361 -20.846 0.812 1.00 0.71 H new ATOM 0 HA GLU A 91 5.422 -19.280 -0.479 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.002 -22.286 -0.176 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.458 -21.534 -0.796 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.784 -20.384 1.382 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.337 -21.154 2.000 1.00 1.30 H new ATOM 1544 N GLU A 92 3.328 -21.093 -2.242 1.00 0.66 N ATOM 1545 CA GLU A 92 2.754 -21.241 -3.563 1.00 0.65 C ATOM 1546 C GLU A 92 2.319 -19.899 -4.101 1.00 0.60 C ATOM 1547 O GLU A 92 2.476 -19.613 -5.273 1.00 0.57 O ATOM 1548 CB GLU A 92 1.559 -22.163 -3.485 1.00 0.69 C ATOM 1549 CG GLU A 92 1.895 -23.524 -2.939 1.00 0.74 C ATOM 1550 CD GLU A 92 2.859 -24.281 -3.830 1.00 1.06 C ATOM 1551 OE1 GLU A 92 2.424 -24.776 -4.893 1.00 1.10 O ATOM 1552 OE2 GLU A 92 4.060 -24.363 -3.487 1.00 1.45 O ATOM 0 H GLU A 92 2.838 -21.619 -1.518 1.00 0.66 H new ATOM 0 HA GLU A 92 3.505 -21.661 -4.232 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.795 -21.705 -2.856 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.128 -22.274 -4.480 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.330 -23.417 -1.945 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.979 -24.103 -2.825 1.00 0.74 H new ATOM 1559 N LEU A 93 1.787 -19.074 -3.229 1.00 0.61 N ATOM 1560 CA LEU A 93 1.553 -17.687 -3.597 1.00 0.60 C ATOM 1561 C LEU A 93 2.902 -17.004 -3.683 1.00 0.61 C ATOM 1562 O LEU A 93 3.169 -16.373 -4.687 1.00 0.64 O ATOM 1563 CB LEU A 93 0.588 -17.016 -2.624 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.818 -17.624 -2.647 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.750 -16.888 -1.715 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.380 -17.627 -4.061 1.00 1.07 C ATOM 0 H LEU A 93 1.512 -19.326 -2.280 1.00 0.61 H new ATOM 0 HA LEU A 93 1.065 -17.613 -4.569 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.992 -17.090 -1.614 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.521 -15.955 -2.864 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.737 -18.654 -2.300 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.739 -17.344 -1.755 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.365 -16.944 -0.697 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.819 -15.844 -2.020 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.379 -18.063 -4.055 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.433 -16.604 -4.434 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.731 -18.216 -4.709 1.00 1.07 H new ATOM 1578 N LYS A 94 3.797 -17.164 -2.738 1.00 0.61 N ATOM 1579 CA LYS A 94 4.965 -16.293 -2.687 1.00 0.61 C ATOM 1580 C LYS A 94 5.871 -16.524 -3.873 1.00 0.66 C ATOM 1581 O LYS A 94 6.385 -15.580 -4.469 1.00 0.72 O ATOM 1582 CB LYS A 94 5.746 -16.513 -1.393 1.00 0.64 C ATOM 1583 CG LYS A 94 6.900 -15.545 -1.202 1.00 0.69 C ATOM 1584 CD LYS A 94 7.597 -15.787 0.123 1.00 1.16 C ATOM 1585 CE LYS A 94 8.717 -14.793 0.357 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.301 -14.949 1.711 1.00 2.06 N ATOM 0 H LYS A 94 3.750 -17.871 -2.004 1.00 0.61 H new ATOM 0 HA LYS A 94 4.608 -15.264 -2.718 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.064 -16.422 -0.548 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.133 -17.532 -1.382 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.613 -15.658 -2.018 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.530 -14.520 -1.241 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.872 -15.716 0.934 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.999 -16.800 0.143 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.494 -14.933 -0.395 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.337 -13.779 0.237 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.241 -14.505 1.737 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 8.683 -14.491 2.411 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.389 -15.960 1.937 1.00 2.06 H new ATOM 1600 N ALA A 95 6.044 -17.776 -4.220 1.00 0.67 N ATOM 1601 CA ALA A 95 6.950 -18.136 -5.275 1.00 0.73 C ATOM 1602 C ALA A 95 6.301 -18.008 -6.641 1.00 0.73 C ATOM 1603 O ALA A 95 6.895 -17.469 -7.571 1.00 0.93 O ATOM 1604 CB ALA A 95 7.468 -19.549 -5.069 1.00 0.77 C ATOM 0 H ALA A 95 5.565 -18.564 -3.783 1.00 0.67 H new ATOM 0 HA ALA A 95 7.788 -17.440 -5.240 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.153 -19.807 -5.877 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.992 -19.609 -4.115 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.631 -20.247 -5.067 1.00 0.77 H new ATOM 1610 N LYS A 96 5.088 -18.540 -6.777 1.00 0.70 N ATOM 1611 CA LYS A 96 4.401 -18.493 -8.058 1.00 0.76 C ATOM 1612 C LYS A 96 4.077 -17.059 -8.504 1.00 0.58 C ATOM 1613 O LYS A 96 3.886 -16.785 -9.692 1.00 0.55 O ATOM 1614 CB LYS A 96 3.131 -19.323 -7.999 1.00 1.02 C ATOM 1615 CG LYS A 96 3.397 -20.817 -8.025 1.00 1.75 C ATOM 1616 CD LYS A 96 4.015 -21.253 -9.343 1.00 2.07 C ATOM 1617 CE LYS A 96 2.970 -21.371 -10.436 1.00 2.92 C ATOM 1618 NZ LYS A 96 2.039 -22.506 -10.192 1.00 3.11 N ATOM 0 H LYS A 96 4.571 -19.000 -6.028 1.00 0.70 H new ATOM 0 HA LYS A 96 5.080 -18.911 -8.801 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.582 -19.073 -7.091 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.491 -19.059 -8.841 1.00 1.02 H new ATOM 0 HG2 LYS A 96 4.064 -21.083 -7.205 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.463 -21.356 -7.864 1.00 1.75 H new ATOM 0 HD2 LYS A 96 4.778 -20.535 -9.644 1.00 2.07 H new ATOM 0 HD3 LYS A 96 4.515 -22.212 -9.212 1.00 2.07 H new ATOM 0 HE2 LYS A 96 2.402 -20.442 -10.498 1.00 2.92 H new ATOM 0 HE3 LYS A 96 3.464 -21.507 -11.398 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 1.572 -22.770 -11.083 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 2.573 -23.320 -9.826 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 1.320 -22.222 -9.496 1.00 3.11 H new ATOM 1632 N VAL A 97 4.050 -16.145 -7.530 1.00 0.62 N ATOM 1633 CA VAL A 97 3.893 -14.723 -7.792 1.00 0.57 C ATOM 1634 C VAL A 97 5.178 -14.160 -8.405 1.00 0.54 C ATOM 1635 O VAL A 97 5.139 -13.240 -9.223 1.00 0.59 O ATOM 1636 CB VAL A 97 3.550 -13.955 -6.493 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.763 -12.463 -6.651 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.117 -14.229 -6.077 1.00 0.93 C ATOM 0 H VAL A 97 4.137 -16.376 -6.540 1.00 0.62 H new ATOM 0 HA VAL A 97 3.070 -14.594 -8.495 1.00 0.57 H new ATOM 0 HB VAL A 97 4.226 -14.312 -5.716 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.511 -11.959 -5.718 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.807 -12.269 -6.899 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.124 -12.087 -7.450 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.893 -13.681 -5.162 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.440 -13.906 -6.868 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.987 -15.297 -5.902 1.00 0.93 H new ATOM 1648 N GLU A 98 6.315 -14.734 -8.023 1.00 0.53 N ATOM 1649 CA GLU A 98 7.610 -14.311 -8.554 1.00 0.57 C ATOM 1650 C GLU A 98 7.653 -14.524 -10.062 1.00 0.52 C ATOM 1651 O GLU A 98 8.243 -13.730 -10.792 1.00 0.53 O ATOM 1652 CB GLU A 98 8.751 -15.090 -7.896 1.00 0.68 C ATOM 1653 CG GLU A 98 8.762 -15.012 -6.377 1.00 0.81 C ATOM 1654 CD GLU A 98 9.102 -13.633 -5.853 1.00 1.31 C ATOM 1655 OE1 GLU A 98 8.287 -12.703 -6.018 1.00 2.03 O ATOM 1656 OE2 GLU A 98 10.181 -13.474 -5.248 1.00 1.65 O ATOM 0 H GLU A 98 6.367 -15.495 -7.346 1.00 0.53 H new ATOM 0 HA GLU A 98 7.736 -13.251 -8.332 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.682 -16.136 -8.195 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.700 -14.712 -8.275 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.784 -15.307 -5.997 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.484 -15.730 -5.988 1.00 0.81 H new ATOM 1663 N GLU A 99 7.004 -15.590 -10.519 1.00 0.49 N ATOM 1664 CA GLU A 99 6.933 -15.887 -11.944 1.00 0.49 C ATOM 1665 C GLU A 99 5.998 -14.902 -12.620 1.00 0.48 C ATOM 1666 O GLU A 99 6.246 -14.460 -13.737 1.00 0.51 O ATOM 1667 CB GLU A 99 6.446 -17.318 -12.180 1.00 0.52 C ATOM 1668 CG GLU A 99 7.305 -18.381 -11.515 1.00 0.91 C ATOM 1669 CD GLU A 99 8.759 -18.304 -11.935 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.081 -18.753 -13.057 1.00 1.82 O ATOM 1671 OE2 GLU A 99 9.588 -17.799 -11.151 1.00 2.48 O ATOM 0 H GLU A 99 6.520 -16.262 -9.923 1.00 0.49 H new ATOM 0 HA GLU A 99 7.932 -15.794 -12.370 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.424 -17.408 -11.812 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.416 -17.508 -13.253 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.237 -18.272 -10.433 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.911 -19.367 -11.762 1.00 0.91 H new ATOM 1678 N ALA A 100 4.931 -14.557 -11.918 1.00 0.49 N ATOM 1679 CA ALA A 100 3.980 -13.566 -12.388 1.00 0.55 C ATOM 1680 C ALA A 100 4.667 -12.226 -12.600 1.00 0.54 C ATOM 1681 O ALA A 100 4.664 -11.676 -13.699 1.00 0.58 O ATOM 1682 CB ALA A 100 2.866 -13.426 -11.365 1.00 0.63 C ATOM 0 H ALA A 100 4.701 -14.956 -11.008 1.00 0.49 H new ATOM 0 HA ALA A 100 3.565 -13.889 -13.342 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.147 -12.683 -11.710 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.365 -14.386 -11.239 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.286 -13.108 -10.411 1.00 0.63 H new ATOM 1688 N LEU A 101 5.266 -11.720 -11.533 1.00 0.51 N ATOM 1689 CA LEU A 101 5.985 -10.456 -11.562 1.00 0.53 C ATOM 1690 C LEU A 101 7.213 -10.526 -12.466 1.00 0.51 C ATOM 1691 O LEU A 101 7.807 -9.499 -12.793 1.00 0.53 O ATOM 1692 CB LEU A 101 6.405 -10.069 -10.141 1.00 0.53 C ATOM 1693 CG LEU A 101 5.328 -9.402 -9.273 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.121 -7.954 -9.690 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.008 -10.153 -9.338 1.00 1.28 C ATOM 0 H LEU A 101 5.267 -12.176 -10.620 1.00 0.51 H new ATOM 0 HA LEU A 101 5.316 -9.698 -11.969 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.749 -10.968 -9.629 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.258 -9.393 -10.208 1.00 0.53 H new ATOM 0 HG LEU A 101 5.682 -9.430 -8.242 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.354 -7.501 -9.062 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.056 -7.405 -9.575 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.805 -7.917 -10.733 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.272 -9.650 -8.711 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.652 -10.175 -10.368 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.152 -11.173 -8.982 1.00 1.28 H new ATOM 1707 N HIS A 102 7.606 -11.728 -12.865 1.00 0.51 N ATOM 1708 CA HIS A 102 8.734 -11.867 -13.770 1.00 0.53 C ATOM 1709 C HIS A 102 8.221 -11.797 -15.203 1.00 0.56 C ATOM 1710 O HIS A 102 8.743 -11.043 -16.019 1.00 0.57 O ATOM 1711 CB HIS A 102 9.471 -13.181 -13.519 1.00 0.55 C ATOM 1712 CG HIS A 102 10.860 -13.234 -14.073 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.148 -13.341 -15.417 1.00 1.95 N ATOM 1714 CD2 HIS A 102 12.053 -13.204 -13.438 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.458 -13.373 -15.582 1.00 2.48 C ATOM 1716 NE2 HIS A 102 13.029 -13.292 -14.395 1.00 2.14 N ATOM 0 H HIS A 102 7.169 -12.605 -12.582 1.00 0.51 H new ATOM 0 HA HIS A 102 9.444 -11.058 -13.598 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.516 -13.357 -12.444 1.00 0.55 H new ATOM 0 HB3 HIS A 102 8.890 -13.996 -13.951 1.00 0.55 H new ATOM 0 HD2 HIS A 102 12.208 -13.125 -12.372 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.974 -13.452 -16.527 1.00 2.48 H new ATOM 0 HE2 HIS A 102 14.034 -13.295 -14.219 1.00 2.14 H new ATOM 1725 N ALA A 103 7.208 -12.608 -15.494 1.00 0.58 N ATOM 1726 CA ALA A 103 6.709 -12.811 -16.855 1.00 0.61 C ATOM 1727 C ALA A 103 6.100 -11.543 -17.472 1.00 0.61 C ATOM 1728 O ALA A 103 5.649 -11.567 -18.615 1.00 0.64 O ATOM 1729 CB ALA A 103 5.693 -13.942 -16.850 1.00 0.63 C ATOM 0 H ALA A 103 6.705 -13.147 -14.789 1.00 0.58 H new ATOM 0 HA ALA A 103 7.562 -13.071 -17.481 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.317 -14.098 -17.861 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.168 -14.856 -16.494 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.864 -13.684 -16.191 1.00 0.63 H new ATOM 1735 N VAL A 104 6.076 -10.451 -16.729 1.00 0.60 N ATOM 1736 CA VAL A 104 5.573 -9.204 -17.234 1.00 0.63 C ATOM 1737 C VAL A 104 6.691 -8.387 -17.886 1.00 0.76 C ATOM 1738 O VAL A 104 7.842 -8.418 -17.442 1.00 1.68 O ATOM 1739 CB VAL A 104 4.901 -8.424 -16.099 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.758 -8.452 -14.864 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.608 -6.999 -16.502 1.00 0.51 C ATOM 0 H VAL A 104 6.405 -10.412 -15.764 1.00 0.60 H new ATOM 0 HA VAL A 104 4.830 -9.406 -18.005 1.00 0.63 H new ATOM 0 HB VAL A 104 3.950 -8.910 -15.882 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.267 -7.894 -14.067 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.905 -9.484 -14.546 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.725 -7.998 -15.082 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.132 -6.477 -15.672 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.539 -6.495 -16.761 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.941 -6.995 -17.364 1.00 0.51 H new ATOM 1751 N THR A 105 6.329 -7.651 -18.925 1.00 0.77 N ATOM 1752 CA THR A 105 7.337 -6.940 -19.707 1.00 0.79 C ATOM 1753 C THR A 105 6.863 -5.580 -20.215 1.00 0.75 C ATOM 1754 O THR A 105 7.592 -4.912 -20.946 1.00 0.95 O ATOM 1755 CB THR A 105 7.771 -7.781 -20.925 1.00 0.94 C ATOM 1756 OG1 THR A 105 6.614 -8.249 -21.635 1.00 0.88 O ATOM 1757 CG2 THR A 105 8.628 -8.967 -20.508 1.00 1.03 C ATOM 0 H THR A 105 5.368 -7.529 -19.244 1.00 0.77 H new ATOM 0 HA THR A 105 8.172 -6.776 -19.026 1.00 0.79 H new ATOM 0 HB THR A 105 8.369 -7.142 -21.575 1.00 0.94 H new ATOM 0 HG1 THR A 105 6.897 -8.781 -22.408 1.00 0.88 H new ATOM 0 HG21 THR A 105 8.915 -9.537 -21.392 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.523 -8.608 -20.001 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.060 -9.607 -19.833 1.00 1.03 H new ATOM 1765 N ASP A 106 5.674 -5.145 -19.838 1.00 0.77 N ATOM 1766 CA ASP A 106 5.243 -3.798 -20.189 1.00 0.79 C ATOM 1767 C ASP A 106 5.780 -2.786 -19.183 1.00 0.73 C ATOM 1768 O ASP A 106 5.647 -2.958 -17.975 1.00 0.72 O ATOM 1769 CB ASP A 106 3.720 -3.707 -20.222 1.00 0.79 C ATOM 1770 CG ASP A 106 3.229 -2.426 -20.867 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.206 -2.352 -22.111 1.00 1.38 O ATOM 1772 OD2 ASP A 106 2.871 -1.479 -20.134 1.00 2.07 O ATOM 0 H ASP A 106 5.000 -5.689 -19.300 1.00 0.77 H new ATOM 0 HA ASP A 106 5.637 -3.572 -21.180 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.320 -4.561 -20.768 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.333 -3.769 -19.205 1.00 0.79 H new ATOM 1777 N GLU A 107 6.424 -1.753 -19.715 1.00 0.71 N ATOM 1778 CA GLU A 107 7.258 -0.844 -18.930 1.00 0.69 C ATOM 1779 C GLU A 107 6.548 -0.245 -17.724 1.00 0.66 C ATOM 1780 O GLU A 107 7.065 -0.307 -16.604 1.00 0.63 O ATOM 1781 CB GLU A 107 7.789 0.270 -19.822 1.00 0.73 C ATOM 1782 CG GLU A 107 8.697 -0.226 -20.931 1.00 1.63 C ATOM 1783 CD GLU A 107 9.132 0.880 -21.861 1.00 2.35 C ATOM 1784 OE1 GLU A 107 10.093 1.600 -21.529 1.00 2.65 O ATOM 1785 OE2 GLU A 107 8.508 1.038 -22.931 1.00 3.18 O ATOM 0 H GLU A 107 6.383 -1.520 -20.707 1.00 0.71 H new ATOM 0 HA GLU A 107 8.078 -1.444 -18.536 1.00 0.69 H new ATOM 0 HB2 GLU A 107 6.947 0.804 -20.263 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.335 0.987 -19.209 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.578 -0.695 -20.492 1.00 1.63 H new ATOM 0 HG3 GLU A 107 8.179 -0.995 -21.504 1.00 1.63 H new ATOM 1792 N GLU A 108 5.382 0.348 -17.955 1.00 0.67 N ATOM 1793 CA GLU A 108 4.594 0.928 -16.873 1.00 0.66 C ATOM 1794 C GLU A 108 4.333 -0.109 -15.784 1.00 0.58 C ATOM 1795 O GLU A 108 4.408 0.192 -14.595 1.00 0.54 O ATOM 1796 CB GLU A 108 3.265 1.486 -17.382 1.00 0.76 C ATOM 1797 CG GLU A 108 3.408 2.708 -18.272 1.00 1.46 C ATOM 1798 CD GLU A 108 2.079 3.391 -18.531 1.00 2.09 C ATOM 1799 OE1 GLU A 108 1.685 4.263 -17.730 1.00 2.40 O ATOM 1800 OE2 GLU A 108 1.420 3.051 -19.542 1.00 2.78 O ATOM 0 H GLU A 108 4.962 0.440 -18.880 1.00 0.67 H new ATOM 0 HA GLU A 108 5.173 1.752 -16.455 1.00 0.66 H new ATOM 0 HB2 GLU A 108 2.743 0.705 -17.935 1.00 0.76 H new ATOM 0 HB3 GLU A 108 2.640 1.743 -16.527 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.093 3.416 -17.806 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.853 2.413 -19.222 1.00 1.46 H new ATOM 1807 N LYS A 109 4.021 -1.332 -16.199 1.00 0.59 N ATOM 1808 CA LYS A 109 3.784 -2.429 -15.277 1.00 0.55 C ATOM 1809 C LYS A 109 5.032 -2.713 -14.431 1.00 0.51 C ATOM 1810 O LYS A 109 4.954 -2.847 -13.207 1.00 0.48 O ATOM 1811 CB LYS A 109 3.377 -3.679 -16.067 1.00 0.58 C ATOM 1812 CG LYS A 109 2.112 -3.498 -16.890 1.00 0.65 C ATOM 1813 CD LYS A 109 1.726 -4.777 -17.617 1.00 1.22 C ATOM 1814 CE LYS A 109 0.539 -4.558 -18.538 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.178 -5.792 -19.284 1.00 1.81 N ATOM 0 H LYS A 109 3.926 -1.587 -17.182 1.00 0.59 H new ATOM 0 HA LYS A 109 2.977 -2.151 -14.598 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.194 -3.960 -16.731 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.232 -4.506 -15.372 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.295 -3.189 -16.238 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.261 -2.698 -17.615 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.576 -5.138 -18.197 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.485 -5.552 -16.889 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.318 -4.225 -17.952 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.771 -3.762 -19.245 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.637 -5.599 -19.901 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.986 -6.096 -19.863 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 -0.069 -6.545 -18.611 1.00 1.81 H new ATOM 1829 N LYS A 110 6.191 -2.767 -15.078 1.00 0.53 N ATOM 1830 CA LYS A 110 7.440 -3.097 -14.391 1.00 0.53 C ATOM 1831 C LYS A 110 7.934 -1.945 -13.513 1.00 0.51 C ATOM 1832 O LYS A 110 8.789 -2.118 -12.643 1.00 0.51 O ATOM 1833 CB LYS A 110 8.535 -3.462 -15.397 1.00 0.56 C ATOM 1834 CG LYS A 110 8.224 -4.688 -16.238 1.00 0.62 C ATOM 1835 CD LYS A 110 9.427 -5.102 -17.077 1.00 0.80 C ATOM 1836 CE LYS A 110 9.829 -4.016 -18.066 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.026 -4.402 -18.859 1.00 1.14 N ATOM 0 H LYS A 110 6.294 -2.587 -16.077 1.00 0.53 H new ATOM 0 HA LYS A 110 7.227 -3.953 -13.751 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.701 -2.613 -16.060 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.467 -3.632 -14.857 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.930 -5.512 -15.588 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.377 -4.479 -16.891 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.268 -5.325 -16.421 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.194 -6.019 -17.619 1.00 0.80 H new ATOM 0 HE2 LYS A 110 8.997 -3.813 -18.740 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.034 -3.092 -17.526 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.266 -3.636 -19.520 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.827 -4.571 -18.218 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 10.823 -5.270 -19.395 1.00 1.14 H new ATOM 1851 N GLN A 111 7.370 -0.777 -13.766 1.00 0.51 N ATOM 1852 CA GLN A 111 7.549 0.354 -12.864 1.00 0.51 C ATOM 1853 C GLN A 111 6.900 0.048 -11.510 1.00 0.50 C ATOM 1854 O GLN A 111 7.471 0.331 -10.459 1.00 0.51 O ATOM 1855 CB GLN A 111 6.955 1.624 -13.484 1.00 0.52 C ATOM 1856 CG GLN A 111 7.220 2.897 -12.694 1.00 1.08 C ATOM 1857 CD GLN A 111 8.696 3.134 -12.442 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.394 3.728 -13.265 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.170 2.701 -11.288 1.00 1.61 N ATOM 0 H GLN A 111 6.788 -0.585 -14.581 1.00 0.51 H new ATOM 0 HA GLN A 111 8.614 0.522 -12.705 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.359 1.745 -14.489 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.878 1.493 -13.587 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.807 3.748 -13.236 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.697 2.842 -11.739 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.556 2.213 -10.635 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.150 2.854 -11.049 1.00 1.61 H new ATOM 1868 N TYR A 112 5.729 -0.588 -11.549 1.00 0.50 N ATOM 1869 CA TYR A 112 5.008 -0.953 -10.329 1.00 0.49 C ATOM 1870 C TYR A 112 5.751 -2.055 -9.598 1.00 0.49 C ATOM 1871 O TYR A 112 5.758 -2.109 -8.371 1.00 0.50 O ATOM 1872 CB TYR A 112 3.588 -1.417 -10.653 1.00 0.49 C ATOM 1873 CG TYR A 112 2.773 -0.380 -11.383 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.759 0.948 -10.966 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.036 -0.723 -12.502 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.025 1.899 -11.648 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.306 0.223 -13.186 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.303 1.529 -12.759 1.00 0.80 C ATOM 1879 OH TYR A 112 0.576 2.464 -13.452 1.00 0.92 O ATOM 0 H TYR A 112 5.259 -0.861 -12.412 1.00 0.50 H new ATOM 0 HA TYR A 112 4.947 -0.071 -9.692 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.638 -2.322 -11.259 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.080 -1.682 -9.726 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.330 1.239 -10.097 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.033 -1.747 -12.844 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.018 2.925 -11.312 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.736 -0.061 -14.058 1.00 0.75 H new ATOM 0 HH TYR A 112 0.127 2.034 -14.210 1.00 0.92 H new ATOM 1889 N ILE A 113 6.379 -2.934 -10.368 1.00 0.49 N ATOM 1890 CA ILE A 113 7.203 -3.991 -9.797 1.00 0.51 C ATOM 1891 C ILE A 113 8.294 -3.399 -8.909 1.00 0.53 C ATOM 1892 O ILE A 113 8.525 -3.856 -7.793 1.00 0.54 O ATOM 1893 CB ILE A 113 7.871 -4.838 -10.885 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.813 -5.453 -11.788 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.741 -5.925 -10.260 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.398 -6.309 -12.876 1.00 0.72 C ATOM 0 H ILE A 113 6.334 -2.936 -11.387 1.00 0.49 H new ATOM 0 HA ILE A 113 6.541 -4.626 -9.208 1.00 0.51 H new ATOM 0 HB ILE A 113 8.513 -4.194 -11.486 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.133 -6.055 -11.185 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.220 -4.657 -12.238 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.207 -6.516 -11.048 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.515 -5.464 -9.647 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.123 -6.573 -9.638 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.595 -6.720 -13.487 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.056 -5.705 -13.500 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.968 -7.124 -12.431 1.00 0.72 H new ATOM 1908 N ALA A 114 8.959 -2.366 -9.420 1.00 0.56 N ATOM 1909 CA ALA A 114 10.032 -1.706 -8.692 1.00 0.59 C ATOM 1910 C ALA A 114 9.467 -0.872 -7.547 1.00 0.59 C ATOM 1911 O ALA A 114 9.994 -0.896 -6.434 1.00 0.60 O ATOM 1912 CB ALA A 114 10.847 -0.839 -9.639 1.00 0.63 C ATOM 0 H ALA A 114 8.770 -1.969 -10.340 1.00 0.56 H new ATOM 0 HA ALA A 114 10.687 -2.466 -8.266 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.648 -0.349 -9.085 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.277 -1.462 -10.424 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.201 -0.084 -10.088 1.00 0.63 H new ATOM 1918 N ASP A 115 8.407 -0.132 -7.824 1.00 0.61 N ATOM 1919 CA ASP A 115 7.822 0.753 -6.824 1.00 0.66 C ATOM 1920 C ASP A 115 7.159 -0.038 -5.704 1.00 0.60 C ATOM 1921 O ASP A 115 7.569 0.043 -4.551 1.00 0.59 O ATOM 1922 CB ASP A 115 6.799 1.701 -7.454 1.00 0.77 C ATOM 1923 CG ASP A 115 7.426 2.711 -8.395 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.514 3.232 -8.076 1.00 1.20 O ATOM 1925 OD2 ASP A 115 6.829 2.994 -9.451 1.00 1.73 O ATOM 0 H ASP A 115 7.934 -0.124 -8.728 1.00 0.61 H new ATOM 0 HA ASP A 115 8.637 1.341 -6.404 1.00 0.66 H new ATOM 0 HB2 ASP A 115 6.058 1.116 -7.999 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.268 2.231 -6.663 1.00 0.77 H new ATOM 1930 N PHE A 116 6.155 -0.816 -6.066 1.00 0.60 N ATOM 1931 CA PHE A 116 5.293 -1.455 -5.082 1.00 0.60 C ATOM 1932 C PHE A 116 5.697 -2.900 -4.802 1.00 0.56 C ATOM 1933 O PHE A 116 5.432 -3.393 -3.717 1.00 0.55 O ATOM 1934 CB PHE A 116 3.840 -1.406 -5.544 1.00 0.68 C ATOM 1935 CG PHE A 116 2.939 -0.618 -4.652 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.348 -1.210 -3.550 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.697 0.722 -4.906 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.529 -0.473 -2.713 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.879 1.459 -4.080 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.232 0.824 -3.012 1.00 1.52 C ATOM 0 H PHE A 116 5.914 -1.022 -7.035 1.00 0.60 H new ATOM 0 HA PHE A 116 5.405 -0.898 -4.152 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.804 -0.979 -6.546 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.459 -2.425 -5.617 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.527 -2.254 -3.342 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.156 1.194 -5.762 1.00 1.11 H new ATOM 0 HE1 PHE A 116 1.124 -0.926 -1.820 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.737 2.516 -4.253 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.500 1.360 -2.427 1.00 1.52 H new ATOM 1950 N GLY A 117 6.356 -3.552 -5.754 1.00 0.55 N ATOM 1951 CA GLY A 117 6.637 -4.991 -5.649 1.00 0.56 C ATOM 1952 C GLY A 117 7.146 -5.454 -4.277 1.00 0.54 C ATOM 1953 O GLY A 117 6.448 -6.201 -3.570 1.00 0.55 O ATOM 0 H GLY A 117 6.707 -3.115 -6.606 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.727 -5.542 -5.887 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.377 -5.257 -6.403 1.00 0.56 H new ATOM 1957 N PRO A 118 8.355 -5.024 -3.863 1.00 0.52 N ATOM 1958 CA PRO A 118 8.962 -5.461 -2.593 1.00 0.53 C ATOM 1959 C PRO A 118 8.108 -5.102 -1.381 1.00 0.46 C ATOM 1960 O PRO A 118 8.141 -5.782 -0.354 1.00 0.45 O ATOM 1961 CB PRO A 118 10.294 -4.698 -2.546 1.00 0.54 C ATOM 1962 CG PRO A 118 10.125 -3.567 -3.498 1.00 0.65 C ATOM 1963 CD PRO A 118 9.226 -4.085 -4.585 1.00 0.53 C ATOM 0 HA PRO A 118 9.072 -6.545 -2.554 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.507 -4.338 -1.539 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.126 -5.339 -2.838 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.684 -2.701 -3.004 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.086 -3.248 -3.902 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.656 -3.284 -5.055 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.790 -4.581 -5.375 1.00 0.53 H new ATOM 1971 N ALA A 119 7.333 -4.042 -1.514 1.00 0.46 N ATOM 1972 CA ALA A 119 6.480 -3.570 -0.439 1.00 0.42 C ATOM 1973 C ALA A 119 5.162 -4.333 -0.405 1.00 0.44 C ATOM 1974 O ALA A 119 4.600 -4.578 0.662 1.00 0.43 O ATOM 1975 CB ALA A 119 6.210 -2.083 -0.611 1.00 0.41 C ATOM 0 H ALA A 119 7.277 -3.485 -2.367 1.00 0.46 H new ATOM 0 HA ALA A 119 6.997 -3.742 0.505 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.569 -1.734 0.199 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.153 -1.537 -0.589 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.714 -1.911 -1.566 1.00 0.41 H new ATOM 1981 N CYS A 120 4.692 -4.733 -1.575 1.00 0.47 N ATOM 1982 CA CYS A 120 3.563 -5.641 -1.691 1.00 0.50 C ATOM 1983 C CYS A 120 3.836 -6.933 -0.934 1.00 0.52 C ATOM 1984 O CYS A 120 2.916 -7.561 -0.422 1.00 0.53 O ATOM 1985 CB CYS A 120 3.274 -5.966 -3.156 1.00 0.56 C ATOM 1986 SG CYS A 120 2.637 -4.564 -4.127 1.00 1.17 S ATOM 0 H CYS A 120 5.082 -4.438 -2.470 1.00 0.47 H new ATOM 0 HA CYS A 120 2.694 -5.146 -1.259 1.00 0.50 H new ATOM 0 HB2 CYS A 120 4.190 -6.329 -3.622 1.00 0.56 H new ATOM 0 HB3 CYS A 120 2.551 -6.780 -3.199 1.00 0.56 H new ATOM 1991 N LYS A 121 5.103 -7.334 -0.874 1.00 0.54 N ATOM 1992 CA LYS A 121 5.486 -8.540 -0.137 1.00 0.58 C ATOM 1993 C LYS A 121 5.047 -8.492 1.333 1.00 0.59 C ATOM 1994 O LYS A 121 4.380 -9.415 1.801 1.00 0.65 O ATOM 1995 CB LYS A 121 6.992 -8.793 -0.251 1.00 0.63 C ATOM 1996 CG LYS A 121 7.337 -9.889 -1.253 1.00 1.01 C ATOM 1997 CD LYS A 121 6.697 -9.629 -2.611 1.00 1.04 C ATOM 1998 CE LYS A 121 6.828 -10.830 -3.536 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.245 -11.114 -3.887 1.00 1.47 N ATOM 0 H LYS A 121 5.879 -6.847 -1.323 1.00 0.54 H new ATOM 0 HA LYS A 121 4.958 -9.375 -0.597 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.489 -7.869 -0.546 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.384 -9.067 0.728 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.419 -9.952 -1.366 1.00 1.01 H new ATOM 0 HG3 LYS A 121 7.000 -10.852 -0.870 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.643 -9.387 -2.476 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.166 -8.761 -3.074 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.391 -11.706 -3.056 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.259 -10.649 -4.448 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.295 -11.479 -4.860 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.802 -10.239 -3.816 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.630 -11.823 -3.231 1.00 1.47 H new ATOM 2013 N LYS A 122 5.418 -7.435 2.062 1.00 0.54 N ATOM 2014 CA LYS A 122 4.945 -7.283 3.444 1.00 0.55 C ATOM 2015 C LYS A 122 3.425 -7.107 3.458 1.00 0.53 C ATOM 2016 O LYS A 122 2.767 -7.454 4.438 1.00 0.57 O ATOM 2017 CB LYS A 122 5.632 -6.116 4.167 1.00 0.52 C ATOM 2018 CG LYS A 122 5.429 -4.762 3.510 1.00 0.46 C ATOM 2019 CD LYS A 122 5.890 -3.624 4.412 1.00 0.47 C ATOM 2020 CE LYS A 122 7.370 -3.723 4.753 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.234 -3.581 3.552 1.00 1.50 N ATOM 0 H LYS A 122 6.029 -6.688 1.731 1.00 0.54 H new ATOM 0 HA LYS A 122 5.208 -8.191 3.986 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.259 -6.069 5.190 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.701 -6.320 4.226 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.980 -4.727 2.570 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.375 -4.630 3.267 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.695 -2.671 3.920 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.306 -3.633 5.332 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.627 -2.949 5.477 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.568 -4.683 5.229 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 8.730 -4.478 3.373 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.647 -3.340 2.728 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.931 -2.826 3.713 1.00 1.50 H new ATOM 2035 N ILE A 123 2.881 -6.532 2.395 1.00 0.49 N ATOM 2036 CA ILE A 123 1.446 -6.282 2.316 1.00 0.48 C ATOM 2037 C ILE A 123 0.627 -7.572 2.239 1.00 0.51 C ATOM 2038 O ILE A 123 -0.312 -7.812 2.995 1.00 0.54 O ATOM 2039 CB ILE A 123 1.102 -5.383 1.126 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.651 -3.980 1.377 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.403 -5.347 0.910 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.383 -3.021 0.250 1.00 0.44 C ATOM 0 H ILE A 123 3.409 -6.230 1.576 1.00 0.49 H new ATOM 0 HA ILE A 123 1.179 -5.771 3.241 1.00 0.48 H new ATOM 0 HB ILE A 123 1.560 -5.784 0.222 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.211 -3.585 2.293 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.727 -4.043 1.542 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.633 -4.704 0.061 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.766 -6.355 0.711 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.890 -4.956 1.804 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.800 -2.045 0.496 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.847 -3.394 -0.663 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.307 -2.928 0.099 1.00 0.44 H new ATOM 2054 N TYR A 124 1.069 -8.406 1.306 1.00 0.52 N ATOM 2055 CA TYR A 124 0.624 -9.786 1.116 1.00 0.58 C ATOM 2056 C TYR A 124 1.202 -10.692 2.199 1.00 0.64 C ATOM 2057 O TYR A 124 1.211 -11.906 2.033 1.00 0.82 O ATOM 2058 CB TYR A 124 1.021 -10.303 -0.271 1.00 0.59 C ATOM 2059 CG TYR A 124 0.181 -9.741 -1.399 1.00 0.63 C ATOM 2060 CD1 TYR A 124 0.489 -8.522 -1.986 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -0.923 -10.437 -1.877 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -0.275 -8.010 -3.017 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -1.692 -9.934 -2.908 1.00 1.28 C ATOM 2064 CZ TYR A 124 -1.364 -8.720 -3.474 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.125 -8.216 -4.505 1.00 1.17 O ATOM 0 H TYR A 124 1.780 -8.129 0.629 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.463 -9.800 1.191 1.00 0.58 H new ATOM 0 HB2 TYR A 124 2.067 -10.058 -0.453 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.942 -11.390 -0.279 1.00 0.59 H new ATOM 0 HD1 TYR A 124 1.342 -7.963 -1.630 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.184 -11.387 -1.435 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -0.020 -7.059 -3.462 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -2.546 -10.488 -3.269 1.00 1.28 H new ATOM 0 HH TYR A 124 -2.854 -8.839 -4.708 1.00 1.17 H new ATOM 2075 N GLY A 125 1.527 -10.073 3.341 1.00 0.73 N ATOM 2076 CA GLY A 125 2.590 -10.426 4.303 1.00 0.86 C ATOM 2077 C GLY A 125 3.267 -11.786 4.221 1.00 0.71 C ATOM 2078 O GLY A 125 3.623 -12.359 5.251 1.00 0.78 O ATOM 0 H GLY A 125 1.015 -9.245 3.645 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.370 -9.670 4.217 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.166 -10.334 5.303 1.00 0.86 H new ATOM 2082 N VAL A 126 3.408 -12.314 3.022 1.00 0.71 N ATOM 2083 CA VAL A 126 4.313 -13.436 2.738 1.00 0.84 C ATOM 2084 C VAL A 126 5.781 -13.050 3.018 1.00 0.99 C ATOM 2085 O VAL A 126 6.684 -13.342 2.231 1.00 1.53 O ATOM 2086 CB VAL A 126 4.194 -13.889 1.263 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.849 -14.540 0.996 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.403 -12.712 0.314 1.00 0.98 C ATOM 0 H VAL A 126 2.899 -11.982 2.203 1.00 0.71 H new ATOM 0 HA VAL A 126 4.020 -14.255 3.395 1.00 0.84 H new ATOM 0 HB VAL A 126 4.975 -14.627 1.082 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.795 -14.848 -0.048 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.734 -15.413 1.638 1.00 1.38 H new ATOM 0 HG13 VAL A 126 2.052 -13.827 1.206 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.315 -13.056 -0.717 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.649 -11.950 0.508 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.395 -12.289 0.472 1.00 0.98 H new