USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=27 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 34 LYS NZ :NH3+ -179:sc= 0.678 (180deg=0.678) USER MOD Set 1.2: A 111 GLN : amide:sc= 0.791 K(o=1.5,f=-5.4!) USER MOD Set 2.1: A 45 TYR OH : rot -15:sc= 0.273 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -125:sc= 0.462 (180deg=0) USER MOD Set 2.3: A 57 THR OG1 : rot 61:sc= 0.265 USER MOD Set 3.1: A 8 SER OG : rot -95:sc= 1.39 USER MOD Set 3.2: A 12 HIS : no HD1:sc= 0.737 K(o=2.1,f=-6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 7 SER OG : rot -30:sc= 0.0616 USER MOD Single : A 11 THR OG1 : rot -67:sc= -0.482 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.2!) USER MOD Single : A 20 GLN : amide:sc= 0.943 K(o=0.94,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 1.09 (180deg=-0.182) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -169:sc= -3.54 (180deg=-4.27) USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 1.23 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc=-0.00649 (180deg=-0.166) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0485) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.16) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.64) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0239) USER MOD Single : A 70 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-4.2!) USER MOD Single : A 76 LYS NZ :NH3+ -102:sc= 0.694 (180deg=-0.985!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 75:sc= 1 USER MOD Single : A 89 SER OG : rot 180:sc= -1.43! USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -1.5 (180deg=-3.01!) USER MOD Single : A 94 LYS NZ :NH3+ -119:sc= 0.151 (180deg=-2.09!) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.11) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot -7:sc= 0.994 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 112 TYR OH : rot -96:sc= 0.174 USER MOD Single : A 121 LYS NZ :NH3+ -148:sc= 1.1 (180deg=0.972) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.245 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -3.473 5.366 -10.437 1.00 1.08 N ATOM 106 CA PHE A 3 -2.887 4.741 -9.264 1.00 0.89 C ATOM 107 C PHE A 3 -2.309 5.791 -8.330 1.00 0.90 C ATOM 108 O PHE A 3 -1.217 5.619 -7.787 1.00 1.22 O ATOM 109 CB PHE A 3 -1.796 3.744 -9.665 1.00 0.94 C ATOM 110 CG PHE A 3 -2.314 2.545 -10.405 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.074 1.587 -9.754 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.038 2.377 -11.751 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.548 0.484 -10.435 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.510 1.276 -12.434 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.278 0.329 -11.768 1.00 0.96 C ATOM 0 HA PHE A 3 -3.678 4.202 -8.742 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.061 4.254 -10.288 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.275 3.409 -8.768 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.298 1.704 -8.704 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.447 3.116 -12.272 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.134 -0.259 -9.914 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.284 1.150 -13.482 1.00 0.99 H new ATOM 0 HZ PHE A 3 -3.661 -0.528 -12.301 1.00 0.96 H new ATOM 125 N THR A 4 -3.028 6.886 -8.154 1.00 0.74 N ATOM 126 CA THR A 4 -2.615 7.948 -7.261 1.00 0.76 C ATOM 127 C THR A 4 -3.041 7.647 -5.835 1.00 0.71 C ATOM 128 O THR A 4 -3.915 6.811 -5.591 1.00 0.76 O ATOM 129 CB THR A 4 -3.220 9.291 -7.699 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.630 9.145 -7.917 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.555 9.786 -8.968 1.00 0.96 C ATOM 0 H THR A 4 -3.914 7.061 -8.627 1.00 0.74 H new ATOM 0 HA THR A 4 -1.528 8.014 -7.303 1.00 0.76 H new ATOM 0 HB THR A 4 -3.051 10.021 -6.907 1.00 0.77 H new ATOM 0 HG1 THR A 4 -5.009 10.005 -8.194 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.997 10.738 -9.263 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.488 9.920 -8.791 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.702 9.056 -9.764 1.00 0.96 H new ATOM 139 N LEU A 5 -2.410 8.325 -4.892 1.00 0.74 N ATOM 140 CA LEU A 5 -2.736 8.157 -3.491 1.00 0.77 C ATOM 141 C LEU A 5 -4.075 8.797 -3.166 1.00 0.67 C ATOM 142 O LEU A 5 -4.773 8.338 -2.268 1.00 0.73 O ATOM 143 CB LEU A 5 -1.644 8.765 -2.615 1.00 0.91 C ATOM 144 CG LEU A 5 -0.243 8.201 -2.841 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.751 8.898 -1.935 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.218 6.697 -2.600 1.00 1.67 C ATOM 0 H LEU A 5 -1.667 8.999 -5.075 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.804 7.089 -3.286 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.618 9.841 -2.788 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.914 8.617 -1.569 1.00 0.91 H new ATOM 0 HG LEU A 5 0.038 8.382 -3.878 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.747 8.488 -2.104 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.756 9.966 -2.154 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.466 8.742 -0.894 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.790 6.318 -2.767 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.518 6.488 -1.573 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.908 6.207 -3.287 1.00 1.67 H new ATOM 158 N GLU A 6 -4.451 9.822 -3.932 1.00 0.60 N ATOM 159 CA GLU A 6 -5.808 10.351 -3.886 1.00 0.58 C ATOM 160 C GLU A 6 -6.756 9.242 -4.310 1.00 0.59 C ATOM 161 O GLU A 6 -7.777 9.057 -3.647 1.00 0.61 O ATOM 162 CB GLU A 6 -5.950 11.570 -4.793 1.00 0.62 C ATOM 163 CG GLU A 6 -4.918 12.646 -4.507 1.00 0.87 C ATOM 164 CD GLU A 6 -3.706 12.554 -5.415 1.00 1.35 C ATOM 165 OE1 GLU A 6 -2.959 11.556 -5.308 1.00 1.80 O ATOM 166 OE2 GLU A 6 -3.493 13.476 -6.231 1.00 1.68 O ATOM 0 H GLU A 6 -3.834 10.299 -4.589 1.00 0.60 H new ATOM 0 HA GLU A 6 -6.047 10.680 -2.875 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.860 11.255 -5.833 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.948 11.991 -4.673 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.380 13.626 -4.623 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -4.595 12.567 -3.469 1.00 0.87 H new ATOM 173 N SER A 7 -6.472 8.504 -5.373 1.00 0.59 N ATOM 174 CA SER A 7 -7.370 7.446 -5.823 1.00 0.63 C ATOM 175 C SER A 7 -7.630 6.412 -4.721 1.00 0.62 C ATOM 176 O SER A 7 -8.594 5.646 -4.797 1.00 0.78 O ATOM 177 CB SER A 7 -6.798 6.759 -7.066 1.00 0.67 C ATOM 178 OG SER A 7 -7.753 5.896 -7.663 1.00 1.14 O ATOM 0 H SER A 7 -5.631 8.616 -5.939 1.00 0.59 H new ATOM 0 HA SER A 7 -8.324 7.909 -6.074 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.484 7.512 -7.788 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.910 6.189 -6.793 1.00 0.67 H new ATOM 0 HG SER A 7 -8.348 5.538 -6.971 1.00 1.14 H new ATOM 184 N SER A 8 -6.788 6.384 -3.691 1.00 0.53 N ATOM 185 CA SER A 8 -6.961 5.439 -2.609 1.00 0.52 C ATOM 186 C SER A 8 -7.618 6.023 -1.354 1.00 0.48 C ATOM 187 O SER A 8 -8.069 5.270 -0.503 1.00 0.48 O ATOM 188 CB SER A 8 -5.640 4.770 -2.257 1.00 0.57 C ATOM 189 OG SER A 8 -5.065 4.149 -3.398 1.00 1.02 O ATOM 0 H SER A 8 -5.985 7.005 -3.590 1.00 0.53 H new ATOM 0 HA SER A 8 -7.661 4.694 -2.988 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.949 5.511 -1.854 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.801 4.027 -1.476 1.00 0.57 H new ATOM 0 HG SER A 8 -5.320 3.203 -3.419 1.00 1.02 H new ATOM 195 N LEU A 9 -7.607 7.353 -1.203 1.00 0.47 N ATOM 196 CA LEU A 9 -7.852 7.988 0.093 1.00 0.46 C ATOM 197 C LEU A 9 -9.167 7.648 0.784 1.00 0.46 C ATOM 198 O LEU A 9 -9.289 7.720 2.005 1.00 0.42 O ATOM 199 CB LEU A 9 -7.710 9.487 -0.035 1.00 0.49 C ATOM 200 CG LEU A 9 -6.314 9.942 -0.413 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.342 11.398 -0.797 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.332 9.690 0.723 1.00 0.78 C ATOM 0 H LEU A 9 -7.431 8.009 -1.964 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.090 7.564 0.747 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.414 9.846 -0.786 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.989 9.951 0.911 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.973 9.362 -1.270 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.337 11.722 -1.068 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.010 11.537 -1.647 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.699 11.990 0.046 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.338 10.025 0.426 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.651 10.240 1.608 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.303 8.624 0.949 1.00 0.78 H new ATOM 214 N ASP A 10 -10.156 7.314 -0.030 1.00 0.51 N ATOM 215 CA ASP A 10 -11.441 6.870 0.491 1.00 0.53 C ATOM 216 C ASP A 10 -11.617 5.377 0.318 1.00 0.54 C ATOM 217 O ASP A 10 -12.669 4.827 0.636 1.00 0.57 O ATOM 218 CB ASP A 10 -12.589 7.612 -0.194 1.00 0.57 C ATOM 219 CG ASP A 10 -12.654 9.069 0.215 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.838 9.347 1.419 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.529 9.945 -0.666 1.00 1.32 O ATOM 0 H ASP A 10 -10.096 7.341 -1.048 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.459 7.097 1.557 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.469 7.545 -1.275 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.532 7.125 0.052 1.00 0.57 H new ATOM 226 N THR A 11 -10.589 4.722 -0.183 1.00 0.54 N ATOM 227 CA THR A 11 -10.637 3.294 -0.387 1.00 0.56 C ATOM 228 C THR A 11 -9.478 2.580 0.310 1.00 0.53 C ATOM 229 O THR A 11 -9.526 2.314 1.509 1.00 0.53 O ATOM 230 CB THR A 11 -10.654 2.931 -1.891 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.569 3.576 -2.575 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.974 3.332 -2.535 1.00 0.69 C ATOM 0 H THR A 11 -9.709 5.160 -0.456 1.00 0.54 H new ATOM 0 HA THR A 11 -11.569 2.950 0.061 1.00 0.56 H new ATOM 0 HB THR A 11 -10.540 1.850 -1.974 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.714 4.545 -2.578 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.959 3.066 -3.592 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.793 2.810 -2.041 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.116 4.408 -2.434 1.00 0.69 H new ATOM 240 N HIS A 12 -8.435 2.283 -0.463 1.00 0.51 N ATOM 241 CA HIS A 12 -7.279 1.553 0.057 1.00 0.49 C ATOM 242 C HIS A 12 -6.621 2.311 1.214 1.00 0.43 C ATOM 243 O HIS A 12 -6.225 1.713 2.208 1.00 0.43 O ATOM 244 CB HIS A 12 -6.246 1.281 -1.050 1.00 0.49 C ATOM 245 CG HIS A 12 -6.844 1.016 -2.399 1.00 0.57 C ATOM 246 ND1 HIS A 12 -6.492 1.719 -3.533 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.777 0.118 -2.791 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.184 1.262 -4.563 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.968 0.290 -4.138 1.00 0.66 N ATOM 0 H HIS A 12 -8.366 2.535 -1.449 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.643 0.596 0.431 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.576 2.138 -1.124 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.637 0.424 -0.761 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -8.278 -0.601 -2.160 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -7.118 1.623 -5.579 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.613 -0.247 -4.718 1.00 0.66 H new ATOM 258 N LEU A 13 -6.498 3.623 1.081 1.00 0.40 N ATOM 259 CA LEU A 13 -5.708 4.402 2.024 1.00 0.36 C ATOM 260 C LEU A 13 -6.577 5.259 2.943 1.00 0.34 C ATOM 261 O LEU A 13 -6.143 6.279 3.472 1.00 0.32 O ATOM 262 CB LEU A 13 -4.705 5.288 1.273 1.00 0.34 C ATOM 263 CG LEU A 13 -3.337 4.646 0.981 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.689 4.144 2.262 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.454 3.507 -0.021 1.00 0.84 C ATOM 0 H LEU A 13 -6.931 4.168 0.335 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.170 3.693 2.653 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.153 5.591 0.327 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.543 6.196 1.854 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.706 5.420 0.544 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.724 3.695 2.029 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.545 4.979 2.948 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.333 3.398 2.728 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.468 3.079 -0.202 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.116 2.738 0.378 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.862 3.887 -0.958 1.00 0.84 H new ATOM 277 N LYS A 14 -7.815 4.815 3.122 1.00 0.38 N ATOM 278 CA LYS A 14 -8.800 5.561 3.891 1.00 0.38 C ATOM 279 C LYS A 14 -8.533 5.496 5.393 1.00 0.35 C ATOM 280 O LYS A 14 -9.089 6.277 6.164 1.00 0.36 O ATOM 281 CB LYS A 14 -10.214 5.070 3.583 1.00 0.45 C ATOM 282 CG LYS A 14 -10.506 3.650 4.034 1.00 0.64 C ATOM 283 CD LYS A 14 -11.966 3.308 3.801 1.00 0.67 C ATOM 284 CE LYS A 14 -12.275 1.865 4.150 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.731 1.584 4.064 1.00 1.69 N ATOM 0 H LYS A 14 -8.161 3.935 2.741 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.712 6.605 3.589 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.929 5.742 4.059 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.381 5.137 2.508 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.871 2.951 3.489 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.265 3.541 5.091 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.593 3.968 4.401 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.219 3.490 2.756 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.735 1.202 3.474 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.921 1.649 5.158 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.908 0.589 4.309 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.243 2.200 4.727 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.063 1.766 3.096 1.00 1.69 H new ATOM 299 N TRP A 15 -7.682 4.560 5.789 1.00 0.34 N ATOM 300 CA TRP A 15 -7.315 4.388 7.192 1.00 0.33 C ATOM 301 C TRP A 15 -6.319 5.463 7.631 1.00 0.29 C ATOM 302 O TRP A 15 -5.972 5.557 8.810 1.00 0.29 O ATOM 303 CB TRP A 15 -6.698 3.006 7.402 1.00 0.35 C ATOM 304 CG TRP A 15 -5.548 2.746 6.484 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.622 2.261 5.215 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.157 2.966 6.753 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.366 2.168 4.673 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.448 2.592 5.599 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.443 3.445 7.857 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.060 2.679 5.517 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.067 3.530 7.773 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.388 3.151 6.609 1.00 0.30 C ATOM 0 H TRP A 15 -7.229 3.902 5.155 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.218 4.482 7.795 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.362 2.915 8.435 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.462 2.244 7.247 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.536 1.989 4.709 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.150 1.837 3.733 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.958 3.743 8.758 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.534 2.384 4.621 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.505 3.895 8.620 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.312 3.233 6.573 1.00 0.30 H new ATOM 323 N LEU A 16 -5.855 6.261 6.682 1.00 0.28 N ATOM 324 CA LEU A 16 -5.013 7.400 6.994 1.00 0.26 C ATOM 325 C LEU A 16 -5.878 8.511 7.577 1.00 0.27 C ATOM 326 O LEU A 16 -7.039 8.695 7.203 1.00 0.31 O ATOM 327 CB LEU A 16 -4.303 7.920 5.735 1.00 0.25 C ATOM 328 CG LEU A 16 -3.319 6.960 5.056 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.963 7.484 3.677 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.052 6.789 5.884 1.00 0.30 C ATOM 0 H LEU A 16 -6.049 6.139 5.688 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.256 7.089 7.714 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -5.064 8.200 5.006 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.764 8.830 5.999 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.800 5.986 4.968 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.264 6.800 3.197 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.867 7.562 3.073 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.503 8.468 3.769 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.375 6.103 5.376 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.564 7.756 6.006 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.309 6.386 6.864 1.00 0.30 H new ATOM 342 N SER A 17 -5.273 9.245 8.490 1.00 0.27 N ATOM 343 CA SER A 17 -5.927 10.396 9.081 1.00 0.30 C ATOM 344 C SER A 17 -5.750 11.596 8.161 1.00 0.33 C ATOM 345 O SER A 17 -4.849 11.584 7.323 1.00 0.34 O ATOM 346 CB SER A 17 -5.348 10.671 10.467 1.00 0.31 C ATOM 347 OG SER A 17 -5.381 9.502 11.270 1.00 1.24 O ATOM 0 H SER A 17 -4.331 9.065 8.838 1.00 0.27 H new ATOM 0 HA SER A 17 -6.993 10.200 9.198 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.321 11.024 10.373 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.915 11.466 10.951 1.00 0.31 H new ATOM 0 HG SER A 17 -5.004 9.701 12.152 1.00 1.24 H new ATOM 353 N GLN A 18 -6.592 12.614 8.297 1.00 0.36 N ATOM 354 CA GLN A 18 -6.568 13.748 7.372 1.00 0.41 C ATOM 355 C GLN A 18 -5.175 14.367 7.314 1.00 0.41 C ATOM 356 O GLN A 18 -4.634 14.586 6.230 1.00 0.42 O ATOM 357 CB GLN A 18 -7.611 14.798 7.762 1.00 0.47 C ATOM 358 CG GLN A 18 -7.693 15.970 6.793 1.00 1.19 C ATOM 359 CD GLN A 18 -8.225 15.577 5.424 1.00 1.41 C ATOM 360 OE1 GLN A 18 -8.057 14.445 4.973 1.00 1.90 O ATOM 361 NE2 GLN A 18 -8.856 16.522 4.750 1.00 1.91 N ATOM 0 H GLN A 18 -7.296 12.681 9.032 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.820 13.377 6.379 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.589 14.320 7.824 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.378 15.177 8.757 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.336 16.741 7.218 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.702 16.409 6.679 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -8.974 17.448 5.160 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -9.225 16.325 3.820 1.00 1.91 H new ATOM 370 N GLU A 19 -4.592 14.626 8.479 1.00 0.41 N ATOM 371 CA GLU A 19 -3.275 15.207 8.559 1.00 0.42 C ATOM 372 C GLU A 19 -2.256 14.330 7.838 1.00 0.40 C ATOM 373 O GLU A 19 -1.332 14.842 7.208 1.00 0.42 O ATOM 374 CB GLU A 19 -2.886 15.381 10.017 1.00 0.41 C ATOM 375 CG GLU A 19 -3.692 16.430 10.759 1.00 1.18 C ATOM 376 CD GLU A 19 -3.181 16.644 12.165 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.642 15.940 13.091 1.00 2.49 O ATOM 378 OE2 GLU A 19 -2.296 17.505 12.352 1.00 2.01 O ATOM 0 H GLU A 19 -5.023 14.437 9.384 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.287 16.182 8.071 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.000 14.425 10.527 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.830 15.647 10.070 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.653 17.372 10.212 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.738 16.125 10.795 1.00 1.18 H new ATOM 385 N GLN A 20 -2.430 13.013 7.920 1.00 0.37 N ATOM 386 CA GLN A 20 -1.537 12.084 7.240 1.00 0.36 C ATOM 387 C GLN A 20 -1.776 12.164 5.739 1.00 0.38 C ATOM 388 O GLN A 20 -0.831 12.299 4.974 1.00 0.41 O ATOM 389 CB GLN A 20 -1.755 10.652 7.740 1.00 0.33 C ATOM 390 CG GLN A 20 -1.457 10.467 9.223 1.00 0.37 C ATOM 391 CD GLN A 20 -1.777 9.064 9.707 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.679 8.407 9.189 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.048 8.601 10.711 1.00 1.04 N ATOM 0 H GLN A 20 -3.180 12.568 8.450 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.505 12.360 7.458 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.788 10.363 7.548 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.123 9.976 7.165 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.405 10.681 9.409 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.036 11.188 9.800 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.309 9.178 11.113 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.226 7.668 11.082 1.00 1.04 H new ATOM 402 N LYS A 21 -3.040 12.086 5.326 1.00 0.38 N ATOM 403 CA LYS A 21 -3.396 12.167 3.909 1.00 0.42 C ATOM 404 C LYS A 21 -2.823 13.437 3.298 1.00 0.42 C ATOM 405 O LYS A 21 -2.113 13.397 2.299 1.00 0.43 O ATOM 406 CB LYS A 21 -4.916 12.158 3.730 1.00 0.47 C ATOM 407 CG LYS A 21 -5.585 10.876 4.188 1.00 0.56 C ATOM 408 CD LYS A 21 -7.087 10.917 3.945 1.00 0.54 C ATOM 409 CE LYS A 21 -7.748 9.598 4.298 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.216 9.635 4.074 1.00 0.95 N ATOM 0 H LYS A 21 -3.836 11.967 5.953 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.976 11.297 3.403 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.341 12.995 4.283 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.148 12.321 2.678 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.152 10.028 3.657 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.390 10.721 5.249 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.530 11.717 4.539 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.280 11.152 2.898 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.310 8.801 3.698 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.546 9.359 5.342 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.707 9.351 4.945 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.503 10.600 3.814 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.467 8.980 3.306 1.00 0.95 H new ATOM 424 N ASP A 22 -3.099 14.549 3.955 1.00 0.44 N ATOM 425 CA ASP A 22 -2.613 15.854 3.530 1.00 0.46 C ATOM 426 C ASP A 22 -1.090 15.913 3.579 1.00 0.46 C ATOM 427 O ASP A 22 -0.478 16.662 2.818 1.00 0.48 O ATOM 428 CB ASP A 22 -3.180 16.921 4.469 1.00 0.49 C ATOM 429 CG ASP A 22 -2.747 18.319 4.089 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.169 18.801 3.017 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.989 18.946 4.858 1.00 0.64 O ATOM 0 H ASP A 22 -3.668 14.575 4.801 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.935 16.030 2.504 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.269 16.867 4.460 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.859 16.710 5.489 1.00 0.49 H new ATOM 436 N GLU A 23 -0.471 15.127 4.444 1.00 0.44 N ATOM 437 CA GLU A 23 0.967 14.961 4.421 1.00 0.45 C ATOM 438 C GLU A 23 1.435 14.326 3.115 1.00 0.42 C ATOM 439 O GLU A 23 2.341 14.855 2.466 1.00 0.44 O ATOM 440 CB GLU A 23 1.427 14.127 5.605 1.00 0.47 C ATOM 441 CG GLU A 23 2.537 14.804 6.351 1.00 0.71 C ATOM 442 CD GLU A 23 3.010 14.045 7.570 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.337 14.117 8.620 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.076 13.399 7.497 1.00 1.40 O ATOM 0 H GLU A 23 -0.946 14.594 5.172 1.00 0.44 H new ATOM 0 HA GLU A 23 1.414 15.952 4.492 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.587 13.953 6.278 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.763 13.151 5.256 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.380 14.948 5.675 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.203 15.795 6.659 1.00 0.71 H new ATOM 451 N LEU A 24 0.847 13.199 2.723 1.00 0.40 N ATOM 452 CA LEU A 24 1.204 12.561 1.467 1.00 0.39 C ATOM 453 C LEU A 24 0.954 13.500 0.286 1.00 0.39 C ATOM 454 O LEU A 24 1.822 13.663 -0.573 1.00 0.41 O ATOM 455 CB LEU A 24 0.419 11.258 1.276 1.00 0.38 C ATOM 456 CG LEU A 24 0.634 10.167 2.336 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.889 10.398 3.164 1.00 1.16 C ATOM 458 CD2 LEU A 24 -0.587 10.024 3.218 1.00 1.33 C ATOM 0 H LEU A 24 0.125 12.714 3.256 1.00 0.40 H new ATOM 0 HA LEU A 24 2.268 12.326 1.505 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.643 11.501 1.247 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.678 10.843 0.302 1.00 0.38 H new ATOM 0 HG LEU A 24 0.783 9.229 1.801 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.993 9.599 3.898 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.760 10.406 2.509 1.00 1.16 H new ATOM 0 HD13 LEU A 24 1.814 11.356 3.679 1.00 1.16 H new ATOM 0 HD21 LEU A 24 -0.410 9.246 3.960 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.784 10.970 3.723 1.00 1.33 H new ATOM 0 HD23 LEU A 24 -1.448 9.754 2.607 1.00 1.33 H new ATOM 470 N LEU A 25 -0.240 14.101 0.238 1.00 0.40 N ATOM 471 CA LEU A 25 -0.560 15.119 -0.744 1.00 0.43 C ATOM 472 C LEU A 25 0.495 16.217 -0.794 1.00 0.46 C ATOM 473 O LEU A 25 0.925 16.614 -1.872 1.00 0.48 O ATOM 474 CB LEU A 25 -1.931 15.716 -0.440 1.00 0.45 C ATOM 475 CG LEU A 25 -3.101 14.924 -1.010 1.00 0.49 C ATOM 476 CD1 LEU A 25 -3.235 13.560 -0.368 1.00 1.02 C ATOM 477 CD2 LEU A 25 -4.393 15.708 -0.883 1.00 1.06 C ATOM 0 H LEU A 25 -1.003 13.890 0.881 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.577 14.643 -1.724 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -2.050 15.790 0.641 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.968 16.731 -0.835 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.894 14.761 -2.068 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -4.082 13.033 -0.807 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -2.324 12.987 -0.538 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -3.396 13.677 0.704 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -5.215 15.124 -1.296 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -4.589 15.918 0.168 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -4.304 16.647 -1.430 1.00 1.06 H new ATOM 489 N LYS A 26 0.924 16.687 0.371 1.00 0.47 N ATOM 490 CA LYS A 26 1.920 17.750 0.451 1.00 0.51 C ATOM 491 C LYS A 26 3.231 17.316 -0.185 1.00 0.49 C ATOM 492 O LYS A 26 3.808 18.043 -0.992 1.00 0.51 O ATOM 493 CB LYS A 26 2.157 18.153 1.911 1.00 0.56 C ATOM 494 CG LYS A 26 3.194 19.259 2.099 1.00 0.93 C ATOM 495 CD LYS A 26 2.583 20.658 2.050 1.00 1.62 C ATOM 496 CE LYS A 26 2.062 21.030 0.670 1.00 2.50 C ATOM 497 NZ LYS A 26 1.619 22.446 0.612 1.00 3.24 N ATOM 0 H LYS A 26 0.597 16.348 1.276 1.00 0.47 H new ATOM 0 HA LYS A 26 1.537 18.610 -0.098 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.211 18.481 2.343 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.476 17.274 2.471 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.697 19.120 3.056 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.955 19.173 1.324 1.00 0.93 H new ATOM 0 HD2 LYS A 26 1.766 20.717 2.769 1.00 1.62 H new ATOM 0 HD3 LYS A 26 3.332 21.387 2.358 1.00 1.62 H new ATOM 0 HE2 LYS A 26 2.844 20.863 -0.071 1.00 2.50 H new ATOM 0 HE3 LYS A 26 1.229 20.377 0.408 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 1.271 22.662 -0.344 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 0.856 22.599 1.302 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 2.420 23.070 0.838 1.00 3.24 H new ATOM 511 N MET A 27 3.686 16.123 0.165 1.00 0.47 N ATOM 512 CA MET A 27 4.909 15.579 -0.410 1.00 0.47 C ATOM 513 C MET A 27 4.801 15.375 -1.915 1.00 0.47 C ATOM 514 O MET A 27 5.656 15.839 -2.668 1.00 0.49 O ATOM 515 CB MET A 27 5.287 14.255 0.252 1.00 0.49 C ATOM 516 CG MET A 27 5.619 14.378 1.728 1.00 0.50 C ATOM 517 SD MET A 27 6.788 13.119 2.278 1.00 0.92 S ATOM 518 CE MET A 27 5.995 11.639 1.668 1.00 0.79 C ATOM 0 H MET A 27 3.229 15.513 0.843 1.00 0.47 H new ATOM 0 HA MET A 27 5.689 16.317 -0.221 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.463 13.552 0.132 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.145 13.831 -0.269 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.036 15.366 1.923 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.702 14.298 2.312 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.486 10.762 2.091 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.945 11.643 1.959 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.070 11.608 0.581 1.00 0.79 H new ATOM 528 N LYS A 28 3.742 14.706 -2.357 1.00 0.45 N ATOM 529 CA LYS A 28 3.546 14.434 -3.775 1.00 0.49 C ATOM 530 C LYS A 28 3.426 15.740 -4.563 1.00 0.54 C ATOM 531 O LYS A 28 3.947 15.860 -5.673 1.00 0.58 O ATOM 532 CB LYS A 28 2.289 13.572 -3.958 1.00 0.50 C ATOM 533 CG LYS A 28 2.135 12.988 -5.358 1.00 0.79 C ATOM 534 CD LYS A 28 1.245 13.843 -6.248 1.00 1.41 C ATOM 535 CE LYS A 28 -0.212 13.759 -5.817 1.00 1.82 C ATOM 536 NZ LYS A 28 -1.113 14.447 -6.776 1.00 2.44 N ATOM 0 H LYS A 28 3.006 14.342 -1.752 1.00 0.45 H new ATOM 0 HA LYS A 28 4.410 13.892 -4.159 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.312 12.756 -3.236 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.411 14.175 -3.729 1.00 0.50 H new ATOM 0 HG2 LYS A 28 3.118 12.890 -5.818 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.716 11.984 -5.286 1.00 0.79 H new ATOM 0 HD2 LYS A 28 1.578 14.880 -6.210 1.00 1.41 H new ATOM 0 HD3 LYS A 28 1.340 13.515 -7.283 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -0.505 12.713 -5.730 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.325 14.205 -4.829 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -2.027 13.951 -6.811 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 -1.263 15.429 -6.468 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 -0.681 14.443 -7.722 1.00 2.44 H new ATOM 550 N LYS A 29 2.756 16.715 -3.968 1.00 0.55 N ATOM 551 CA LYS A 29 2.577 18.020 -4.594 1.00 0.62 C ATOM 552 C LYS A 29 3.875 18.830 -4.611 1.00 0.64 C ATOM 553 O LYS A 29 4.087 19.650 -5.504 1.00 0.72 O ATOM 554 CB LYS A 29 1.474 18.803 -3.872 1.00 0.62 C ATOM 555 CG LYS A 29 1.078 20.089 -4.574 1.00 1.13 C ATOM 556 CD LYS A 29 -0.083 20.773 -3.874 1.00 1.57 C ATOM 557 CE LYS A 29 -0.519 22.024 -4.621 1.00 2.08 C ATOM 558 NZ LYS A 29 0.573 23.026 -4.718 1.00 2.69 N ATOM 0 H LYS A 29 2.325 16.628 -3.048 1.00 0.55 H new ATOM 0 HA LYS A 29 2.284 17.851 -5.630 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.594 18.167 -3.774 1.00 0.62 H new ATOM 0 HB3 LYS A 29 1.810 19.039 -2.862 1.00 0.62 H new ATOM 0 HG2 LYS A 29 1.933 20.764 -4.607 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.804 19.871 -5.606 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.922 20.082 -3.797 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.207 21.037 -2.857 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.850 21.751 -5.623 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -1.375 22.469 -4.113 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 0.187 23.928 -5.064 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 0.998 23.169 -3.779 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 1.300 22.684 -5.379 1.00 2.69 H new ATOM 572 N ASP A 30 4.750 18.594 -3.641 1.00 0.62 N ATOM 573 CA ASP A 30 5.984 19.371 -3.534 1.00 0.66 C ATOM 574 C ASP A 30 7.106 18.726 -4.351 1.00 0.65 C ATOM 575 O ASP A 30 8.243 19.200 -4.393 1.00 0.69 O ATOM 576 CB ASP A 30 6.391 19.522 -2.062 1.00 0.67 C ATOM 577 CG ASP A 30 7.534 20.497 -1.851 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.292 21.721 -1.910 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.675 20.046 -1.610 1.00 2.14 O ATOM 0 H ASP A 30 4.633 17.879 -2.923 1.00 0.62 H new ATOM 0 HA ASP A 30 5.804 20.365 -3.944 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.528 19.855 -1.486 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.678 18.546 -1.670 1.00 0.67 H new ATOM 584 N GLY A 31 6.743 17.639 -5.018 1.00 0.62 N ATOM 585 CA GLY A 31 7.646 17.012 -5.957 1.00 0.62 C ATOM 586 C GLY A 31 8.503 15.954 -5.317 1.00 0.61 C ATOM 587 O GLY A 31 9.555 15.592 -5.846 1.00 0.63 O ATOM 0 H GLY A 31 5.837 17.181 -4.924 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.069 16.566 -6.767 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.287 17.773 -6.403 1.00 0.62 H new ATOM 591 N LYS A 32 8.054 15.449 -4.182 1.00 0.59 N ATOM 592 CA LYS A 32 8.726 14.346 -3.539 1.00 0.58 C ATOM 593 C LYS A 32 8.535 13.093 -4.371 1.00 0.56 C ATOM 594 O LYS A 32 7.536 12.945 -5.078 1.00 0.55 O ATOM 595 CB LYS A 32 8.195 14.133 -2.121 1.00 0.57 C ATOM 596 CG LYS A 32 8.505 15.279 -1.171 1.00 0.63 C ATOM 597 CD LYS A 32 10.001 15.433 -0.952 1.00 0.76 C ATOM 598 CE LYS A 32 10.307 16.486 0.098 1.00 1.15 C ATOM 599 NZ LYS A 32 11.758 16.548 0.412 1.00 1.65 N ATOM 0 H LYS A 32 7.227 15.788 -3.691 1.00 0.59 H new ATOM 0 HA LYS A 32 9.789 14.574 -3.463 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.115 13.992 -2.165 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.621 13.214 -1.718 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.098 16.207 -1.573 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.013 15.103 -0.215 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.424 14.477 -0.644 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.481 15.706 -1.892 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.970 17.460 -0.256 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.748 16.266 1.007 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.926 17.279 1.133 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.075 15.626 0.773 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 12.290 16.783 -0.450 1.00 1.65 H new ATOM 613 N ALA A 33 9.495 12.205 -4.288 1.00 0.56 N ATOM 614 CA ALA A 33 9.461 10.957 -5.030 1.00 0.55 C ATOM 615 C ALA A 33 8.409 10.030 -4.453 1.00 0.52 C ATOM 616 O ALA A 33 8.186 10.017 -3.247 1.00 0.50 O ATOM 617 CB ALA A 33 10.820 10.281 -4.994 1.00 0.59 C ATOM 0 H ALA A 33 10.324 12.322 -3.706 1.00 0.56 H new ATOM 0 HA ALA A 33 9.207 11.180 -6.066 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.777 9.347 -5.555 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.565 10.939 -5.441 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.095 10.071 -3.960 1.00 0.59 H new ATOM 623 N LYS A 34 7.776 9.244 -5.315 1.00 0.53 N ATOM 624 CA LYS A 34 6.768 8.275 -4.888 1.00 0.51 C ATOM 625 C LYS A 34 7.320 7.356 -3.797 1.00 0.51 C ATOM 626 O LYS A 34 6.588 6.924 -2.913 1.00 0.48 O ATOM 627 CB LYS A 34 6.306 7.447 -6.084 1.00 0.56 C ATOM 628 CG LYS A 34 7.399 6.598 -6.691 1.00 1.21 C ATOM 629 CD LYS A 34 6.983 6.018 -8.028 1.00 1.64 C ATOM 630 CE LYS A 34 5.663 5.271 -7.933 1.00 2.21 C ATOM 631 NZ LYS A 34 5.410 4.454 -9.145 1.00 2.97 N ATOM 0 H LYS A 34 7.943 9.257 -6.321 1.00 0.53 H new ATOM 0 HA LYS A 34 5.919 8.821 -4.476 1.00 0.51 H new ATOM 0 HB2 LYS A 34 5.486 6.800 -5.772 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.911 8.117 -6.848 1.00 0.56 H new ATOM 0 HG2 LYS A 34 8.298 7.200 -6.820 1.00 1.21 H new ATOM 0 HG3 LYS A 34 7.653 5.789 -6.007 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.895 6.820 -8.761 1.00 1.64 H new ATOM 0 HD3 LYS A 34 7.758 5.342 -8.388 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.671 4.626 -7.054 1.00 2.21 H new ATOM 0 HE3 LYS A 34 4.850 5.984 -7.798 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.493 3.972 -9.053 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.394 5.071 -9.982 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 6.165 3.746 -9.250 1.00 2.97 H new ATOM 645 N LYS A 35 8.612 7.056 -3.869 1.00 0.54 N ATOM 646 CA LYS A 35 9.263 6.206 -2.877 1.00 0.56 C ATOM 647 C LYS A 35 9.274 6.859 -1.493 1.00 0.53 C ATOM 648 O LYS A 35 9.489 6.184 -0.485 1.00 0.55 O ATOM 649 CB LYS A 35 10.687 5.872 -3.324 1.00 0.61 C ATOM 650 CG LYS A 35 10.754 5.229 -4.702 1.00 1.17 C ATOM 651 CD LYS A 35 9.874 3.990 -4.786 1.00 1.56 C ATOM 652 CE LYS A 35 9.908 3.370 -6.173 1.00 2.18 C ATOM 653 NZ LYS A 35 11.241 2.802 -6.500 1.00 2.82 N ATOM 0 H LYS A 35 9.232 7.390 -4.607 1.00 0.54 H new ATOM 0 HA LYS A 35 8.688 5.283 -2.798 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.282 6.785 -3.328 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.140 5.200 -2.595 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.440 5.951 -5.456 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.786 4.959 -4.928 1.00 1.17 H new ATOM 0 HD2 LYS A 35 10.207 3.257 -4.051 1.00 1.56 H new ATOM 0 HD3 LYS A 35 8.848 4.254 -4.530 1.00 1.56 H new ATOM 0 HE2 LYS A 35 9.155 2.585 -6.237 1.00 2.18 H new ATOM 0 HE3 LYS A 35 9.645 4.125 -6.914 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 11.187 2.287 -7.402 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 11.936 3.572 -6.582 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 11.535 2.149 -5.746 1.00 2.82 H new ATOM 667 N GLU A 36 9.021 8.161 -1.439 1.00 0.51 N ATOM 668 CA GLU A 36 8.954 8.869 -0.169 1.00 0.50 C ATOM 669 C GLU A 36 7.563 8.722 0.438 1.00 0.44 C ATOM 670 O GLU A 36 7.356 8.770 1.652 1.00 0.45 O ATOM 671 CB GLU A 36 9.303 10.340 -0.366 1.00 0.53 C ATOM 672 CG GLU A 36 10.649 10.530 -1.036 1.00 0.61 C ATOM 673 CD GLU A 36 11.080 11.975 -1.107 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.189 12.618 -0.043 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.337 12.470 -2.224 1.00 0.66 O ATOM 0 H GLU A 36 8.859 8.746 -2.259 1.00 0.51 H new ATOM 0 HA GLU A 36 9.680 8.434 0.518 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.530 10.816 -0.969 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.308 10.842 0.601 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.402 9.959 -0.492 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.606 10.120 -2.045 1.00 0.61 H new ATOM 682 N LEU A 37 6.631 8.489 -0.480 1.00 0.39 N ATOM 683 CA LEU A 37 5.264 8.170 -0.128 1.00 0.36 C ATOM 684 C LEU A 37 5.163 6.716 0.309 1.00 0.36 C ATOM 685 O LEU A 37 4.498 6.394 1.298 1.00 0.35 O ATOM 686 CB LEU A 37 4.363 8.428 -1.332 1.00 0.37 C ATOM 687 CG LEU A 37 4.180 9.898 -1.740 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.473 10.674 -0.648 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.490 10.584 -2.090 1.00 1.01 C ATOM 0 H LEU A 37 6.807 8.517 -1.484 1.00 0.39 H new ATOM 0 HA LEU A 37 4.944 8.800 0.702 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.767 7.883 -2.185 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.380 8.006 -1.121 1.00 0.37 H new ATOM 0 HG LEU A 37 3.567 9.890 -2.641 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.354 11.712 -0.958 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.492 10.235 -0.466 1.00 1.22 H new ATOM 0 HD13 LEU A 37 4.063 10.634 0.267 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.295 11.619 -2.370 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.155 10.560 -1.227 1.00 1.01 H new ATOM 0 HD23 LEU A 37 5.961 10.065 -2.925 1.00 1.01 H new ATOM 701 N GLU A 38 5.852 5.850 -0.434 1.00 0.39 N ATOM 702 CA GLU A 38 5.970 4.429 -0.104 1.00 0.43 C ATOM 703 C GLU A 38 6.504 4.253 1.314 1.00 0.43 C ATOM 704 O GLU A 38 6.181 3.296 2.004 1.00 0.45 O ATOM 705 CB GLU A 38 6.925 3.745 -1.088 1.00 0.57 C ATOM 706 CG GLU A 38 7.199 2.284 -0.770 1.00 1.35 C ATOM 707 CD GLU A 38 8.553 1.826 -1.270 1.00 2.06 C ATOM 708 OE1 GLU A 38 9.541 1.942 -0.514 1.00 2.72 O ATOM 709 OE2 GLU A 38 8.644 1.343 -2.414 1.00 2.49 O ATOM 0 H GLU A 38 6.346 6.115 -1.286 1.00 0.39 H new ATOM 0 HA GLU A 38 4.981 3.976 -0.173 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.507 3.815 -2.092 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.870 4.288 -1.097 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.143 2.134 0.308 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.421 1.666 -1.219 1.00 1.35 H new ATOM 716 N ALA A 39 7.261 5.234 1.758 1.00 0.43 N ATOM 717 CA ALA A 39 7.954 5.159 3.028 1.00 0.45 C ATOM 718 C ALA A 39 7.150 5.699 4.196 1.00 0.42 C ATOM 719 O ALA A 39 7.208 5.166 5.302 1.00 0.44 O ATOM 720 CB ALA A 39 9.288 5.881 2.930 1.00 0.49 C ATOM 0 H ALA A 39 7.414 6.105 1.250 1.00 0.43 H new ATOM 0 HA ALA A 39 8.111 4.100 3.234 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.805 5.822 3.888 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.899 5.413 2.158 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.118 6.927 2.674 1.00 0.49 H new ATOM 726 N LYS A 40 6.393 6.760 3.943 1.00 0.39 N ATOM 727 CA LYS A 40 5.457 7.272 4.920 1.00 0.37 C ATOM 728 C LYS A 40 4.399 6.231 5.228 1.00 0.31 C ATOM 729 O LYS A 40 4.191 5.873 6.384 1.00 0.31 O ATOM 730 CB LYS A 40 4.786 8.537 4.394 1.00 0.41 C ATOM 731 CG LYS A 40 5.634 9.788 4.517 1.00 0.79 C ATOM 732 CD LYS A 40 5.715 10.280 5.951 1.00 0.64 C ATOM 733 CE LYS A 40 6.532 11.556 6.047 1.00 0.74 C ATOM 734 NZ LYS A 40 6.469 12.157 7.403 1.00 1.34 N ATOM 0 H LYS A 40 6.414 7.279 3.065 1.00 0.39 H new ATOM 0 HA LYS A 40 6.005 7.508 5.832 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.528 8.389 3.346 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.852 8.691 4.934 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.638 9.583 4.146 1.00 0.79 H new ATOM 0 HG3 LYS A 40 5.216 10.573 3.887 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.710 10.458 6.335 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.164 9.510 6.578 1.00 0.64 H new ATOM 0 HE2 LYS A 40 7.570 11.341 5.794 1.00 0.74 H new ATOM 0 HE3 LYS A 40 6.167 12.276 5.314 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.156 12.935 7.470 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.512 12.524 7.576 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 6.695 11.433 8.114 1.00 1.34 H new ATOM 748 N ILE A 41 3.749 5.736 4.180 1.00 0.29 N ATOM 749 CA ILE A 41 2.671 4.778 4.321 1.00 0.26 C ATOM 750 C ILE A 41 3.149 3.492 4.982 1.00 0.27 C ATOM 751 O ILE A 41 2.470 2.956 5.850 1.00 0.27 O ATOM 752 CB ILE A 41 2.039 4.477 2.955 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.436 5.760 2.383 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.983 3.390 3.072 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.935 5.614 0.969 1.00 0.39 C ATOM 0 H ILE A 41 3.958 5.990 3.214 1.00 0.29 H new ATOM 0 HA ILE A 41 1.915 5.222 4.968 1.00 0.26 H new ATOM 0 HB ILE A 41 2.812 4.112 2.279 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.611 6.079 3.020 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.187 6.549 2.414 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.551 3.196 2.090 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.441 2.478 3.454 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.199 3.716 3.756 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.521 6.564 0.630 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.760 5.325 0.319 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.161 4.848 0.935 1.00 0.39 H new ATOM 767 N LEU A 42 4.323 3.013 4.590 1.00 0.31 N ATOM 768 CA LEU A 42 4.885 1.813 5.197 1.00 0.35 C ATOM 769 C LEU A 42 5.210 2.033 6.672 1.00 0.35 C ATOM 770 O LEU A 42 5.053 1.132 7.499 1.00 0.38 O ATOM 771 CB LEU A 42 6.151 1.361 4.466 1.00 0.39 C ATOM 772 CG LEU A 42 5.936 0.670 3.115 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.248 0.106 2.596 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.894 -0.434 3.220 1.00 0.40 C ATOM 0 H LEU A 42 4.900 3.433 3.861 1.00 0.31 H new ATOM 0 HA LEU A 42 4.127 1.035 5.113 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.787 2.232 4.309 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.699 0.680 5.117 1.00 0.39 H new ATOM 0 HG LEU A 42 5.567 1.416 2.411 1.00 0.40 H new ATOM 0 HD11 LEU A 42 7.080 -0.382 1.636 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.968 0.915 2.471 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.639 -0.620 3.308 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.764 -0.905 2.246 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.226 -1.180 3.942 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.945 -0.009 3.547 1.00 0.40 H new ATOM 786 N HIS A 43 5.666 3.242 6.990 1.00 0.35 N ATOM 787 CA HIS A 43 5.851 3.645 8.381 1.00 0.37 C ATOM 788 C HIS A 43 4.511 3.659 9.120 1.00 0.35 C ATOM 789 O HIS A 43 4.394 3.079 10.196 1.00 0.40 O ATOM 790 CB HIS A 43 6.505 5.029 8.469 1.00 0.40 C ATOM 791 CG HIS A 43 6.682 5.524 9.874 1.00 0.49 C ATOM 792 ND1 HIS A 43 7.715 5.125 10.694 1.00 1.17 N ATOM 793 CD2 HIS A 43 5.936 6.384 10.607 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.597 5.716 11.868 1.00 0.93 C ATOM 795 NE2 HIS A 43 6.526 6.484 11.841 1.00 0.92 N ATOM 0 H HIS A 43 5.913 3.957 6.306 1.00 0.35 H new ATOM 0 HA HIS A 43 6.510 2.917 8.853 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.479 4.993 7.981 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.897 5.744 7.915 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.043 6.896 10.281 1.00 1.23 H new ATOM 0 HE1 HIS A 43 8.264 5.592 12.708 1.00 0.93 H new ATOM 0 HE2 HIS A 43 6.190 7.060 12.613 1.00 0.92 H new ATOM 804 N TYR A 44 3.508 4.331 8.542 1.00 0.30 N ATOM 805 CA TYR A 44 2.179 4.404 9.147 1.00 0.30 C ATOM 806 C TYR A 44 1.636 3.000 9.370 1.00 0.32 C ATOM 807 O TYR A 44 1.065 2.690 10.414 1.00 0.40 O ATOM 808 CB TYR A 44 1.213 5.182 8.247 1.00 0.31 C ATOM 809 CG TYR A 44 1.626 6.615 8.011 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.192 7.357 9.033 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.465 7.216 6.769 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.582 8.657 8.831 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.856 8.523 6.555 1.00 0.50 C ATOM 814 CZ TYR A 44 2.415 9.240 7.591 1.00 0.58 C ATOM 815 OH TYR A 44 2.803 10.543 7.390 1.00 0.68 O ATOM 0 H TYR A 44 3.595 4.831 7.657 1.00 0.30 H new ATOM 0 HA TYR A 44 2.266 4.923 10.101 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.135 4.673 7.287 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.220 5.168 8.697 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.329 6.906 10.005 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.027 6.652 5.958 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.019 9.223 9.641 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.725 8.979 5.585 1.00 0.50 H new ATOM 0 HH TYR A 44 2.618 10.800 6.463 1.00 0.68 H new ATOM 825 N TYR A 45 1.846 2.170 8.360 1.00 0.30 N ATOM 826 CA TYR A 45 1.428 0.781 8.338 1.00 0.33 C ATOM 827 C TYR A 45 1.981 0.004 9.535 1.00 0.40 C ATOM 828 O TYR A 45 1.231 -0.621 10.287 1.00 0.42 O ATOM 829 CB TYR A 45 1.922 0.183 7.017 1.00 0.35 C ATOM 830 CG TYR A 45 1.593 -1.261 6.777 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.276 -1.680 6.810 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.583 -2.202 6.552 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.056 -2.999 6.627 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.262 -3.531 6.360 1.00 0.54 C ATOM 835 CZ TYR A 45 1.037 -3.925 6.265 1.00 0.53 C ATOM 836 OH TYR A 45 0.602 -5.246 6.221 1.00 0.58 O ATOM 0 H TYR A 45 2.327 2.456 7.507 1.00 0.30 H new ATOM 0 HA TYR A 45 0.342 0.715 8.411 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.505 0.770 6.199 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.005 0.299 6.973 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.506 -0.956 6.983 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.618 -1.893 6.526 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.072 -3.345 6.743 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.056 -4.259 6.287 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.265 -5.320 6.671 1.00 0.58 H new ATOM 846 N ASP A 46 3.289 0.069 9.729 1.00 0.43 N ATOM 847 CA ASP A 46 3.934 -0.725 10.771 1.00 0.51 C ATOM 848 C ASP A 46 3.618 -0.180 12.165 1.00 0.53 C ATOM 849 O ASP A 46 3.715 -0.902 13.156 1.00 0.60 O ATOM 850 CB ASP A 46 5.450 -0.778 10.545 1.00 0.58 C ATOM 851 CG ASP A 46 6.146 -1.793 11.436 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.254 -2.974 11.043 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.587 -1.416 12.547 1.00 1.14 O ATOM 0 H ASP A 46 3.922 0.656 9.186 1.00 0.43 H new ATOM 0 HA ASP A 46 3.536 -1.738 10.712 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.648 -1.022 9.501 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.874 0.209 10.728 1.00 0.58 H new ATOM 858 N GLU A 47 3.206 1.084 12.247 1.00 0.49 N ATOM 859 CA GLU A 47 2.927 1.718 13.530 1.00 0.51 C ATOM 860 C GLU A 47 1.451 1.593 13.905 1.00 0.49 C ATOM 861 O GLU A 47 0.994 2.210 14.872 1.00 0.58 O ATOM 862 CB GLU A 47 3.310 3.194 13.462 1.00 0.53 C ATOM 863 CG GLU A 47 4.806 3.422 13.343 1.00 1.21 C ATOM 864 CD GLU A 47 5.550 3.102 14.623 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.764 1.904 14.910 1.00 2.22 O ATOM 866 OE2 GLU A 47 5.929 4.046 15.348 1.00 2.21 O ATOM 0 H GLU A 47 3.059 1.688 11.438 1.00 0.49 H new ATOM 0 HA GLU A 47 3.516 1.211 14.294 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.811 3.653 12.609 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.943 3.699 14.355 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.200 2.806 12.535 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.990 4.461 13.071 1.00 1.21 H new ATOM 873 N LEU A 48 0.705 0.810 13.130 1.00 0.44 N ATOM 874 CA LEU A 48 -0.731 0.679 13.309 1.00 0.46 C ATOM 875 C LEU A 48 -1.108 -0.107 14.570 1.00 0.69 C ATOM 876 O LEU A 48 -0.279 -0.370 15.442 1.00 1.11 O ATOM 877 CB LEU A 48 -1.319 0.039 12.046 1.00 0.37 C ATOM 878 CG LEU A 48 -1.365 0.965 10.839 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.893 0.233 9.625 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.225 2.178 11.145 1.00 0.47 C ATOM 0 H LEU A 48 1.081 0.252 12.364 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.155 1.672 13.456 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.730 -0.842 11.791 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.330 -0.305 12.264 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.352 1.301 10.619 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.918 0.912 8.773 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.242 -0.611 9.397 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.900 -0.131 9.829 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.251 2.834 10.275 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.238 1.855 11.386 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.804 2.717 11.994 1.00 0.47 H new ATOM 892 N GLU A 49 -2.365 -0.500 14.620 1.00 0.61 N ATOM 893 CA GLU A 49 -2.971 -1.067 15.818 1.00 0.86 C ATOM 894 C GLU A 49 -3.692 -2.363 15.465 1.00 0.61 C ATOM 895 O GLU A 49 -3.638 -2.788 14.318 1.00 1.16 O ATOM 896 CB GLU A 49 -3.939 -0.058 16.440 1.00 1.42 C ATOM 897 CG GLU A 49 -3.268 1.243 16.857 1.00 1.33 C ATOM 898 CD GLU A 49 -4.255 2.289 17.325 1.00 2.01 C ATOM 899 OE1 GLU A 49 -4.666 2.241 18.505 1.00 2.19 O ATOM 900 OE2 GLU A 49 -4.615 3.175 16.523 1.00 2.83 O ATOM 0 H GLU A 49 -3.003 -0.436 13.827 1.00 0.61 H new ATOM 0 HA GLU A 49 -2.193 -1.291 16.548 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.731 0.163 15.725 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.413 -0.510 17.311 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.556 1.039 17.657 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -2.698 1.638 16.016 1.00 1.33 H new ATOM 907 N GLY A 50 -4.375 -2.960 16.439 1.00 0.74 N ATOM 908 CA GLY A 50 -4.989 -4.276 16.264 1.00 0.61 C ATOM 909 C GLY A 50 -5.745 -4.444 14.954 1.00 0.54 C ATOM 910 O GLY A 50 -5.220 -5.022 13.998 1.00 0.54 O ATOM 0 H GLY A 50 -4.518 -2.551 17.363 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.211 -5.038 16.322 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.675 -4.457 17.092 1.00 0.61 H new ATOM 914 N ASP A 51 -6.971 -3.945 14.902 1.00 0.54 N ATOM 915 CA ASP A 51 -7.778 -4.059 13.692 1.00 0.52 C ATOM 916 C ASP A 51 -7.323 -3.033 12.668 1.00 0.46 C ATOM 917 O ASP A 51 -7.539 -3.219 11.478 1.00 0.46 O ATOM 918 CB ASP A 51 -9.268 -3.877 13.999 1.00 0.58 C ATOM 919 CG ASP A 51 -9.680 -2.424 14.106 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.269 -1.760 15.078 1.00 2.37 O ATOM 921 OD2 ASP A 51 -10.404 -1.933 13.214 1.00 2.06 O ATOM 0 H ASP A 51 -7.428 -3.461 15.675 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.640 -5.060 13.284 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.855 -4.358 13.217 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.505 -4.385 14.934 1.00 0.58 H new ATOM 926 N ALA A 52 -6.679 -1.962 13.125 1.00 0.43 N ATOM 927 CA ALA A 52 -6.223 -0.911 12.219 1.00 0.41 C ATOM 928 C ALA A 52 -5.241 -1.488 11.211 1.00 0.40 C ATOM 929 O ALA A 52 -5.356 -1.271 10.007 1.00 0.40 O ATOM 930 CB ALA A 52 -5.596 0.237 12.995 1.00 0.42 C ATOM 0 H ALA A 52 -6.462 -1.799 14.108 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.083 -0.514 11.680 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.264 1.008 12.300 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.332 0.659 13.679 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.742 -0.131 13.563 1.00 0.42 H new ATOM 936 N LYS A 53 -4.273 -2.231 11.734 1.00 0.40 N ATOM 937 CA LYS A 53 -3.230 -2.838 10.928 1.00 0.41 C ATOM 938 C LYS A 53 -3.846 -3.880 10.011 1.00 0.41 C ATOM 939 O LYS A 53 -3.610 -3.867 8.808 1.00 0.40 O ATOM 940 CB LYS A 53 -2.173 -3.458 11.845 1.00 0.47 C ATOM 941 CG LYS A 53 -0.816 -3.634 11.192 1.00 0.52 C ATOM 942 CD LYS A 53 -0.767 -4.874 10.329 1.00 0.94 C ATOM 943 CE LYS A 53 0.542 -4.963 9.577 1.00 0.83 C ATOM 944 NZ LYS A 53 0.752 -6.318 9.003 1.00 1.62 N ATOM 0 H LYS A 53 -4.192 -2.428 12.732 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.743 -2.083 10.310 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.061 -2.830 12.729 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.529 -4.430 12.187 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.589 -2.758 10.584 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.047 -3.696 11.962 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.893 -5.760 10.952 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.596 -4.861 9.622 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.554 -4.223 8.777 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.365 -4.720 10.249 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.665 -6.695 9.328 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 -0.014 -6.949 9.314 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.752 -6.259 7.965 1.00 1.62 H new ATOM 958 N LYS A 54 -4.639 -4.771 10.594 1.00 0.44 N ATOM 959 CA LYS A 54 -5.348 -5.797 9.833 1.00 0.47 C ATOM 960 C LYS A 54 -6.165 -5.177 8.696 1.00 0.44 C ATOM 961 O LYS A 54 -6.104 -5.635 7.555 1.00 0.46 O ATOM 962 CB LYS A 54 -6.235 -6.619 10.769 1.00 0.52 C ATOM 963 CG LYS A 54 -7.713 -6.597 10.423 1.00 0.99 C ATOM 964 CD LYS A 54 -8.425 -7.755 11.084 1.00 0.97 C ATOM 965 CE LYS A 54 -9.903 -7.783 10.739 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.620 -8.866 11.462 1.00 2.49 N ATOM 0 H LYS A 54 -4.809 -4.805 11.599 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.614 -6.462 9.377 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.889 -7.653 10.761 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.108 -6.249 11.786 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.156 -5.656 10.749 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.841 -6.652 9.342 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.962 -8.691 10.773 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.306 -7.685 12.165 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.352 -6.821 10.987 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.023 -7.923 9.665 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.626 -8.852 11.199 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.208 -9.786 11.206 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.528 -8.719 12.487 1.00 2.49 H new ATOM 980 N GLU A 55 -6.895 -4.110 9.008 1.00 0.42 N ATOM 981 CA GLU A 55 -7.700 -3.424 8.023 1.00 0.41 C ATOM 982 C GLU A 55 -6.820 -2.775 6.979 1.00 0.39 C ATOM 983 O GLU A 55 -7.057 -2.954 5.787 1.00 0.41 O ATOM 984 CB GLU A 55 -8.579 -2.385 8.711 1.00 0.42 C ATOM 985 CG GLU A 55 -9.870 -2.946 9.260 1.00 0.89 C ATOM 986 CD GLU A 55 -10.862 -3.293 8.172 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.308 -2.375 7.450 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.216 -4.482 8.037 1.00 2.27 O ATOM 0 H GLU A 55 -6.940 -3.706 9.943 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.341 -4.148 7.520 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.016 -1.929 9.526 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.811 -1.592 8.001 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.653 -3.838 9.847 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.319 -2.220 9.938 1.00 0.89 H new ATOM 995 N ALA A 56 -5.802 -2.046 7.401 1.00 0.36 N ATOM 996 CA ALA A 56 -4.938 -1.389 6.445 1.00 0.34 C ATOM 997 C ALA A 56 -4.295 -2.419 5.535 1.00 0.36 C ATOM 998 O ALA A 56 -4.350 -2.292 4.321 1.00 0.37 O ATOM 999 CB ALA A 56 -3.891 -0.544 7.138 1.00 0.31 C ATOM 0 H ALA A 56 -5.559 -1.897 8.380 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.544 -0.717 5.838 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.258 -0.064 6.391 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.381 0.219 7.743 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.278 -1.177 7.780 1.00 0.31 H new ATOM 1005 N THR A 57 -3.696 -3.438 6.135 1.00 0.38 N ATOM 1006 CA THR A 57 -3.081 -4.521 5.387 1.00 0.41 C ATOM 1007 C THR A 57 -3.999 -5.055 4.289 1.00 0.44 C ATOM 1008 O THR A 57 -3.607 -5.199 3.133 1.00 0.45 O ATOM 1009 CB THR A 57 -2.714 -5.699 6.312 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.920 -5.242 7.412 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.960 -6.770 5.546 1.00 0.51 C ATOM 0 H THR A 57 -3.624 -3.536 7.148 1.00 0.38 H new ATOM 0 HA THR A 57 -2.183 -4.101 4.935 1.00 0.41 H new ATOM 0 HB THR A 57 -3.640 -6.128 6.695 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.430 -4.587 7.934 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.711 -7.591 6.218 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.583 -7.143 4.733 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.043 -6.347 5.136 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.252 -5.287 4.687 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.293 -5.751 3.780 1.00 0.49 C ATOM 1021 C GLU A 58 -6.607 -4.714 2.698 1.00 0.48 C ATOM 1022 O GLU A 58 -6.950 -5.070 1.571 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.563 -6.092 4.570 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.549 -7.478 5.183 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.878 -7.841 5.813 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.824 -8.169 5.066 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.989 -7.808 7.054 1.00 1.71 O ATOM 0 H GLU A 58 -5.569 -5.157 5.648 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.924 -6.647 3.281 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.695 -5.356 5.363 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.425 -6.006 3.908 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.302 -8.210 4.415 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.765 -7.531 5.938 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.483 -3.437 3.034 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.818 -2.371 2.097 1.00 0.43 C ATOM 1036 C HIS A 59 -5.673 -2.148 1.115 1.00 0.42 C ATOM 1037 O HIS A 59 -5.891 -2.013 -0.092 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.153 -1.071 2.841 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.387 -1.154 3.692 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.510 -1.859 3.330 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.654 -0.632 4.914 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.412 -1.772 4.289 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.920 -1.034 5.265 1.00 0.57 N ATOM 0 H HIS A 59 -6.154 -3.114 3.944 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.702 -2.675 1.537 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.307 -0.797 3.472 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.280 -0.270 2.113 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.993 -0.014 5.503 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.390 -2.229 4.277 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.399 -0.801 6.135 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.451 -2.093 1.640 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.262 -2.056 0.817 1.00 0.40 C ATOM 1054 C LEU A 60 -3.177 -3.276 -0.090 1.00 0.43 C ATOM 1055 O LEU A 60 -2.647 -3.189 -1.199 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.016 -1.958 1.691 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.740 -0.558 2.217 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.786 -0.123 3.209 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.341 -0.455 2.807 1.00 0.59 C ATOM 0 H LEU A 60 -4.266 -2.073 2.643 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.321 -1.171 0.183 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.123 -2.638 2.536 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.154 -2.296 1.116 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.792 0.125 1.369 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.556 0.882 3.563 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.765 -0.124 2.729 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.795 -0.812 4.054 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.175 0.558 3.174 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.241 -1.161 3.631 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.396 -0.688 2.038 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.695 -4.410 0.382 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.791 -5.595 -0.459 1.00 0.50 C ATOM 1073 C LYS A 61 -4.599 -5.274 -1.701 1.00 0.53 C ATOM 1074 O LYS A 61 -4.116 -5.442 -2.813 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.427 -6.774 0.285 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.466 -7.514 1.200 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.145 -8.687 1.891 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.184 -9.429 2.806 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.846 -10.537 3.540 1.00 0.67 N ATOM 0 H LYS A 61 -4.050 -4.529 1.331 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.779 -5.889 -0.739 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.267 -6.408 0.876 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.832 -7.476 -0.444 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.616 -7.874 0.621 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.073 -6.827 1.949 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.995 -8.327 2.470 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.538 -9.374 1.141 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.360 -9.829 2.216 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.753 -8.729 3.522 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.151 -11.013 4.150 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.616 -10.155 4.125 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.235 -11.221 2.860 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.828 -4.805 -1.499 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.666 -4.385 -2.607 1.00 0.56 C ATOM 1095 C GLY A 62 -5.991 -3.350 -3.490 1.00 0.55 C ATOM 1096 O GLY A 62 -6.090 -3.413 -4.710 1.00 0.59 O ATOM 0 H GLY A 62 -6.260 -4.708 -0.580 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.929 -5.255 -3.209 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.597 -3.973 -2.218 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.311 -2.386 -2.874 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.557 -1.403 -3.633 1.00 0.49 C ATOM 1102 C GLY A 63 -3.524 -2.036 -4.547 1.00 0.49 C ATOM 1103 O GLY A 63 -3.491 -1.762 -5.750 1.00 0.50 O ATOM 0 H GLY A 63 -5.269 -2.268 -1.862 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.246 -0.804 -4.229 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.058 -0.722 -2.943 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.689 -2.895 -3.984 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.671 -3.586 -4.759 1.00 0.55 C ATOM 1109 C CYS A 64 -2.318 -4.589 -5.711 1.00 0.56 C ATOM 1110 O CYS A 64 -1.772 -4.904 -6.764 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.678 -4.281 -3.827 1.00 0.68 C ATOM 1112 SG CYS A 64 0.625 -5.215 -4.691 1.00 1.13 S ATOM 0 H CYS A 64 -2.696 -3.131 -2.992 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.126 -2.855 -5.356 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.210 -3.532 -3.188 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.224 -4.961 -3.173 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.493 -5.074 -5.333 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.290 -5.951 -6.180 1.00 0.67 C ATOM 1119 C ARG A 65 -4.643 -5.247 -7.484 1.00 0.65 C ATOM 1120 O ARG A 65 -4.598 -5.849 -8.555 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.569 -6.360 -5.446 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.497 -7.261 -6.241 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.862 -7.340 -5.578 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.495 -6.023 -5.496 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.325 -5.642 -4.527 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.634 -6.471 -3.539 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.841 -4.418 -4.545 1.00 3.80 N ATOM 0 H ARG A 65 -3.921 -4.870 -4.430 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.707 -6.843 -6.410 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.294 -6.869 -4.522 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.114 -5.459 -5.164 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.601 -6.879 -7.257 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -6.066 -8.259 -6.318 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.503 -8.018 -6.141 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -7.758 -7.758 -4.577 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.286 -5.350 -6.233 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.235 -7.409 -3.517 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.271 -6.170 -2.801 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.601 -3.774 -5.299 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.477 -4.122 -3.805 1.00 3.80 H new ATOM 1141 N GLU A 66 -4.982 -3.968 -7.385 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.309 -3.173 -8.561 1.00 0.55 C ATOM 1143 C GLU A 66 -4.058 -2.916 -9.389 1.00 0.48 C ATOM 1144 O GLU A 66 -4.116 -2.836 -10.616 1.00 0.47 O ATOM 1145 CB GLU A 66 -5.963 -1.851 -8.158 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.174 -2.024 -7.259 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.171 -3.028 -7.801 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.998 -2.651 -8.656 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.128 -4.204 -7.385 1.00 2.02 O ATOM 0 H GLU A 66 -5.038 -3.459 -6.503 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.021 -3.734 -9.167 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.226 -1.231 -7.647 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.262 -1.314 -9.058 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -6.844 -2.344 -6.271 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.668 -1.060 -7.133 1.00 0.75 H new ATOM 1156 N ILE A 67 -2.924 -2.787 -8.711 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.638 -2.685 -9.391 1.00 0.47 C ATOM 1158 C ILE A 67 -1.318 -3.991 -10.103 1.00 0.45 C ATOM 1159 O ILE A 67 -0.887 -3.994 -11.255 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.501 -2.335 -8.409 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.703 -0.912 -7.887 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.865 -2.488 -9.074 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.295 -0.504 -6.828 1.00 0.81 C ATOM 0 H ILE A 67 -2.868 -2.751 -7.693 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.713 -1.879 -10.121 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.530 -3.029 -7.569 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.637 -0.215 -8.723 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.709 -0.824 -7.478 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.648 -2.235 -8.359 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.995 -3.518 -9.405 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.928 -1.820 -9.933 1.00 0.60 H new ATOM 0 HD11 ILE A 67 0.088 0.517 -6.507 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.214 -1.176 -5.974 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.303 -0.558 -7.238 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.555 -5.097 -9.414 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.352 -6.426 -9.973 1.00 0.80 C ATOM 1177 C LEU A 68 -2.317 -6.656 -11.134 1.00 0.82 C ATOM 1178 O LEU A 68 -2.014 -7.360 -12.094 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.561 -7.476 -8.884 1.00 1.12 C ATOM 1180 CG LEU A 68 -1.119 -8.887 -9.246 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.364 -8.905 -9.580 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.427 -9.842 -8.104 1.00 1.71 C ATOM 0 H LEU A 68 -1.893 -5.099 -8.452 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.333 -6.510 -10.351 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.021 -7.162 -7.991 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.619 -7.500 -8.624 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.671 -9.215 -10.127 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.667 -9.920 -9.837 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.555 -8.244 -10.426 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.936 -8.563 -8.717 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -1.106 -10.848 -8.375 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.896 -9.521 -7.208 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.500 -9.843 -7.910 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.456 -5.989 -11.040 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.433 -5.992 -12.123 1.00 1.24 C ATOM 1196 C LYS A 69 -3.885 -5.286 -13.353 1.00 1.20 C ATOM 1197 O LYS A 69 -4.417 -5.418 -14.452 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.737 -5.327 -11.690 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.733 -6.267 -11.033 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.282 -7.277 -12.028 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.538 -7.953 -11.504 1.00 1.68 C ATOM 1202 NZ LYS A 69 -8.290 -8.693 -10.239 1.00 2.22 N ATOM 0 H LYS A 69 -3.729 -5.438 -10.226 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.636 -7.033 -12.374 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.506 -4.519 -10.996 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.206 -4.872 -12.563 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.251 -6.792 -10.208 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.554 -5.690 -10.607 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.504 -6.776 -12.970 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -6.523 -8.031 -12.238 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.311 -7.202 -11.338 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.919 -8.642 -12.258 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -9.140 -9.234 -9.981 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -7.490 -9.345 -10.369 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -8.066 -8.018 -9.480 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.822 -4.530 -13.158 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.211 -3.787 -14.235 1.00 1.16 C ATOM 1218 C HIS A 70 -0.999 -4.550 -14.745 1.00 0.91 C ATOM 1219 O HIS A 70 -0.897 -4.899 -15.916 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.804 -2.394 -13.749 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.167 -1.547 -14.801 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -1.832 -0.537 -15.451 1.00 1.59 N ATOM 1223 CD2 HIS A 70 0.088 -1.563 -15.309 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.023 0.036 -16.312 1.00 1.76 C ATOM 1225 NE2 HIS A 70 0.153 -0.563 -16.251 1.00 1.74 N ATOM 0 H HIS A 70 -2.363 -4.416 -12.254 1.00 1.05 H new ATOM 0 HA HIS A 70 -2.926 -3.668 -15.049 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.687 -1.880 -13.369 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.112 -2.499 -12.913 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.886 -2.234 -15.028 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.277 0.860 -16.962 1.00 1.76 H new ATOM 0 HE2 HIS A 70 0.972 -0.324 -16.809 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.085 -4.793 -13.812 1.00 0.76 N ATOM 1235 CA VAL A 71 1.216 -5.344 -14.102 1.00 0.69 C ATOM 1236 C VAL A 71 1.145 -6.791 -14.596 1.00 0.52 C ATOM 1237 O VAL A 71 1.799 -7.147 -15.571 1.00 0.59 O ATOM 1238 CB VAL A 71 2.112 -5.219 -12.849 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.473 -5.834 -11.646 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.472 -5.808 -13.073 1.00 1.46 C ATOM 0 H VAL A 71 -0.238 -4.607 -12.821 1.00 0.76 H new ATOM 0 HA VAL A 71 1.654 -4.771 -14.920 1.00 0.69 H new ATOM 0 HB VAL A 71 2.232 -4.152 -12.662 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.135 -5.725 -10.787 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.527 -5.334 -11.441 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.291 -6.892 -11.832 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.069 -5.699 -12.168 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.375 -6.866 -13.318 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.963 -5.288 -13.896 1.00 1.46 H new ATOM 1250 N VAL A 72 0.353 -7.618 -13.932 1.00 0.44 N ATOM 1251 CA VAL A 72 0.251 -9.011 -14.321 1.00 0.46 C ATOM 1252 C VAL A 72 -1.035 -9.271 -15.114 1.00 0.47 C ATOM 1253 O VAL A 72 -1.170 -10.298 -15.785 1.00 0.64 O ATOM 1254 CB VAL A 72 0.329 -9.936 -13.089 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.049 -10.293 -12.557 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.159 -11.167 -13.403 1.00 0.80 C ATOM 0 H VAL A 72 -0.221 -7.352 -13.132 1.00 0.44 H new ATOM 0 HA VAL A 72 1.098 -9.237 -14.969 1.00 0.46 H new ATOM 0 HB VAL A 72 0.830 -9.391 -12.289 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.946 -10.945 -11.690 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.574 -9.383 -12.266 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.617 -10.807 -13.333 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.204 -11.809 -12.524 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.702 -11.713 -14.228 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.168 -10.864 -13.683 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.972 -8.334 -15.029 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.210 -8.447 -15.772 1.00 0.48 C ATOM 1268 C GLY A 73 -4.268 -9.231 -15.024 1.00 0.50 C ATOM 1269 O GLY A 73 -3.976 -9.866 -14.007 1.00 0.55 O ATOM 0 H GLY A 73 -1.894 -7.494 -14.455 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.590 -7.449 -15.992 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.013 -8.931 -16.729 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.498 -9.180 -15.522 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.601 -9.940 -14.941 1.00 0.58 C ATOM 1275 C GLU A 74 -6.259 -11.426 -14.915 1.00 0.53 C ATOM 1276 O GLU A 74 -6.502 -12.106 -13.922 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.904 -9.739 -15.728 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.474 -8.325 -15.678 1.00 1.45 C ATOM 1279 CD GLU A 74 -7.699 -7.338 -16.526 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -7.921 -7.297 -17.756 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -6.869 -6.598 -15.972 1.00 2.10 O ATOM 0 H GLU A 74 -5.759 -8.617 -16.332 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.750 -9.573 -13.926 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.727 -10.007 -16.770 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.654 -10.431 -15.344 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -9.511 -8.346 -16.013 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.480 -7.979 -14.644 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.681 -11.891 -16.020 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.262 -13.282 -16.195 1.00 0.55 C ATOM 1290 C GLU A 75 -4.568 -13.845 -14.964 1.00 0.53 C ATOM 1291 O GLU A 75 -5.078 -14.748 -14.303 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.323 -13.366 -17.400 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.754 -14.750 -17.649 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.946 -14.814 -18.926 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.537 -14.663 -20.017 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.718 -15.013 -18.848 1.00 2.00 O ATOM 0 H GLU A 75 -5.487 -11.305 -16.832 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.157 -13.882 -16.356 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.862 -13.041 -18.290 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.499 -12.667 -17.254 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.124 -15.039 -16.808 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.569 -15.472 -17.700 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.406 -13.299 -14.649 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.554 -13.896 -13.650 1.00 0.51 C ATOM 1305 C LYS A 76 -3.028 -13.559 -12.249 1.00 0.55 C ATOM 1306 O LYS A 76 -2.900 -14.372 -11.339 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.119 -13.445 -13.864 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.625 -13.670 -15.284 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.714 -15.131 -15.694 1.00 1.43 C ATOM 1310 CE LYS A 76 0.183 -16.016 -14.847 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.144 -17.430 -15.296 1.00 1.13 N ATOM 0 H LYS A 76 -3.037 -12.447 -15.072 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.602 -14.980 -13.755 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.038 -12.385 -13.622 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.470 -13.981 -13.171 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.214 -13.064 -15.973 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.408 -13.333 -15.366 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.746 -15.470 -15.605 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.435 -15.231 -16.743 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.208 -15.647 -14.895 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.128 -15.957 -13.804 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 -0.464 -17.981 -14.657 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.237 -17.477 -16.263 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.106 -17.825 -15.284 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.567 -12.360 -12.073 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.130 -11.960 -10.793 1.00 0.64 C ATOM 1327 C ALA A 77 -5.322 -12.846 -10.444 1.00 0.65 C ATOM 1328 O ALA A 77 -5.668 -13.012 -9.273 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.544 -10.496 -10.828 1.00 0.68 C ATOM 0 H ALA A 77 -3.626 -11.648 -12.801 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.369 -12.081 -10.022 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -4.963 -10.213 -9.862 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.673 -9.877 -11.041 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.293 -10.348 -11.606 1.00 0.68 H new ATOM 1335 N ALA A 78 -5.935 -13.419 -11.473 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.022 -14.365 -11.295 1.00 0.67 C ATOM 1337 C ALA A 78 -6.470 -15.693 -10.810 1.00 0.67 C ATOM 1338 O ALA A 78 -7.035 -16.332 -9.926 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.769 -14.547 -12.607 1.00 0.66 C ATOM 0 H ALA A 78 -5.692 -13.240 -12.447 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.718 -13.981 -10.549 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.583 -15.258 -12.467 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.176 -13.589 -12.930 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.084 -14.925 -13.366 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.345 -16.086 -11.390 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.684 -17.330 -11.029 1.00 0.65 C ATOM 1347 C GLU A 79 -4.107 -17.258 -9.626 1.00 0.66 C ATOM 1348 O GLU A 79 -4.089 -18.240 -8.900 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.554 -17.636 -12.009 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.005 -17.721 -13.449 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.881 -18.110 -14.391 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -1.965 -18.837 -13.964 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.912 -17.706 -15.573 1.00 1.26 O ATOM 0 H GLU A 79 -4.868 -15.555 -12.119 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.433 -18.121 -11.067 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.790 -16.863 -11.922 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.087 -18.580 -11.728 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.811 -18.450 -13.531 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.414 -16.758 -13.755 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.679 -16.068 -9.243 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.181 -15.819 -7.906 1.00 0.70 C ATOM 1362 C LEU A 80 -4.321 -15.772 -6.899 1.00 0.74 C ATOM 1363 O LEU A 80 -4.213 -16.308 -5.796 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.392 -14.512 -7.904 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.062 -14.599 -8.645 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.576 -13.227 -9.073 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.034 -15.266 -7.759 1.00 0.98 C ATOM 0 H LEU A 80 -3.668 -15.249 -9.851 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.523 -16.636 -7.609 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.000 -13.730 -8.358 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.205 -14.212 -6.873 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.208 -15.193 -9.547 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.374 -13.325 -9.598 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.312 -12.771 -9.736 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.441 -12.598 -8.193 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.917 -15.328 -8.288 1.00 0.98 H new ATOM 0 HD22 LEU A 80 0.095 -14.681 -6.848 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.372 -16.270 -7.501 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.424 -15.149 -7.293 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.589 -15.057 -6.433 1.00 0.79 C ATOM 1381 C LYS A 81 -7.216 -16.438 -6.256 1.00 0.77 C ATOM 1382 O LYS A 81 -7.598 -16.819 -5.147 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.604 -14.065 -7.020 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.688 -13.606 -6.045 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.792 -14.640 -5.861 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.565 -14.875 -7.154 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.736 -15.773 -6.955 1.00 2.12 N ATOM 0 H LYS A 81 -5.533 -14.701 -8.203 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.283 -14.690 -5.453 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.067 -13.189 -7.383 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.083 -14.525 -7.884 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.233 -13.391 -5.078 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.125 -12.675 -6.406 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -9.357 -15.580 -5.521 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -10.478 -14.306 -5.083 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.906 -13.919 -7.550 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.899 -15.309 -7.899 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.231 -15.904 -7.860 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.410 -16.695 -6.602 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -12.386 -15.348 -6.264 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.311 -17.191 -7.348 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.879 -18.530 -7.284 1.00 0.75 C ATOM 1403 C ASN A 82 -6.936 -19.449 -6.528 1.00 0.74 C ATOM 1404 O ASN A 82 -7.402 -20.252 -5.729 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.161 -19.093 -8.678 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.867 -20.433 -8.629 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -9.682 -20.687 -7.738 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.545 -21.306 -9.569 1.00 1.54 N ATOM 0 H ASN A 82 -7.006 -16.900 -8.277 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.831 -18.468 -6.757 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.772 -18.384 -9.236 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.222 -19.200 -9.220 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -8.976 -22.231 -9.576 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -7.866 -21.055 -10.287 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.634 -19.367 -6.779 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.696 -20.162 -6.027 1.00 0.72 C ATOM 1417 C LEU A 83 -4.937 -19.973 -4.532 1.00 0.74 C ATOM 1418 O LEU A 83 -5.115 -20.943 -3.798 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.270 -19.773 -6.397 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.476 -20.875 -7.089 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.877 -21.010 -8.548 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -0.980 -20.629 -6.957 1.00 1.37 C ATOM 0 H LEU A 83 -5.217 -18.764 -7.489 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.840 -21.215 -6.270 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.302 -18.901 -7.050 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.741 -19.475 -5.492 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.711 -21.817 -6.592 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -2.293 -21.804 -9.014 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -3.937 -21.254 -8.613 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -2.689 -20.069 -9.066 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -0.434 -21.428 -7.458 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -0.727 -19.673 -7.416 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -0.706 -20.609 -5.902 1.00 1.37 H new ATOM 1434 N LYS A 84 -4.967 -18.714 -4.101 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.287 -18.359 -2.719 1.00 0.81 C ATOM 1436 C LYS A 84 -6.546 -19.087 -2.231 1.00 0.83 C ATOM 1437 O LYS A 84 -6.503 -19.824 -1.244 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.467 -16.837 -2.619 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.654 -16.310 -1.201 1.00 0.96 C ATOM 1440 CD LYS A 84 -7.116 -16.313 -0.775 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.275 -15.825 0.654 1.00 1.54 C ATOM 1442 NZ LYS A 84 -8.705 -15.701 1.040 1.00 2.27 N ATOM 0 H LYS A 84 -4.770 -17.911 -4.699 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.464 -18.672 -2.076 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.596 -16.352 -3.061 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.331 -16.547 -3.217 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -5.074 -16.921 -0.509 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.261 -15.295 -1.137 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -7.694 -15.677 -1.445 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -7.521 -17.321 -0.865 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -6.774 -16.516 1.332 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -6.784 -14.858 0.765 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -8.772 -15.365 2.022 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -9.177 -15.022 0.409 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -9.168 -16.629 0.959 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.654 -18.874 -2.931 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.944 -19.472 -2.568 1.00 0.91 C ATOM 1458 C ASP A 85 -8.906 -21.000 -2.636 1.00 0.90 C ATOM 1459 O ASP A 85 -9.605 -21.674 -1.880 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.031 -18.950 -3.507 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.427 -19.335 -3.068 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -11.986 -18.663 -2.178 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.965 -20.331 -3.599 1.00 2.52 O ATOM 0 H ASP A 85 -7.689 -18.285 -3.763 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.163 -19.188 -1.539 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -9.961 -17.864 -3.566 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.852 -19.336 -4.511 1.00 0.98 H new ATOM 1468 N SER A 86 -8.086 -21.543 -3.515 1.00 0.86 N ATOM 1469 CA SER A 86 -7.983 -22.993 -3.655 1.00 0.90 C ATOM 1470 C SER A 86 -7.035 -23.593 -2.615 1.00 0.84 C ATOM 1471 O SER A 86 -6.905 -24.813 -2.515 1.00 0.96 O ATOM 1472 CB SER A 86 -7.511 -23.354 -5.064 1.00 0.97 C ATOM 1473 OG SER A 86 -8.384 -22.819 -6.044 1.00 1.52 O ATOM 0 H SER A 86 -7.483 -21.011 -4.142 1.00 0.86 H new ATOM 0 HA SER A 86 -8.974 -23.414 -3.487 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.502 -22.972 -5.223 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.462 -24.438 -5.168 1.00 0.97 H new ATOM 0 HG SER A 86 -8.239 -21.853 -6.118 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.384 -22.737 -1.848 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.589 -23.206 -0.733 1.00 0.88 C ATOM 1481 C GLY A 87 -4.104 -23.167 -1.011 1.00 0.82 C ATOM 1482 O GLY A 87 -3.327 -23.810 -0.306 1.00 0.92 O ATOM 0 H GLY A 87 -6.391 -21.725 -1.976 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.805 -22.595 0.143 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.881 -24.227 -0.489 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.703 -22.439 -2.040 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.291 -22.160 -2.236 1.00 0.76 C ATOM 1488 C ALA A 88 -1.796 -21.407 -1.017 1.00 0.80 C ATOM 1489 O ALA A 88 -2.369 -20.396 -0.606 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.071 -21.336 -3.490 1.00 0.76 C ATOM 0 H ALA A 88 -4.324 -22.036 -2.742 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.741 -23.093 -2.359 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.006 -21.140 -3.615 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.443 -21.884 -4.356 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.606 -20.390 -3.402 1.00 0.76 H new ATOM 1496 N SER A 89 -0.734 -21.938 -0.441 1.00 0.81 N ATOM 1497 CA SER A 89 -0.107 -21.354 0.716 1.00 0.86 C ATOM 1498 C SER A 89 0.603 -20.060 0.344 1.00 0.78 C ATOM 1499 O SER A 89 0.684 -19.705 -0.838 1.00 0.77 O ATOM 1500 CB SER A 89 0.876 -22.357 1.313 1.00 0.93 C ATOM 1501 OG SER A 89 1.751 -22.864 0.320 1.00 1.60 O ATOM 0 H SER A 89 -0.284 -22.792 -0.770 1.00 0.81 H new ATOM 0 HA SER A 89 -0.869 -21.114 1.457 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.455 -21.878 2.103 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.328 -23.179 1.773 1.00 0.93 H new ATOM 0 HG SER A 89 2.372 -23.503 0.727 1.00 1.60 H new ATOM 1507 N LYS A 90 1.133 -19.368 1.340 1.00 0.76 N ATOM 1508 CA LYS A 90 1.859 -18.133 1.100 1.00 0.74 C ATOM 1509 C LYS A 90 3.047 -18.367 0.172 1.00 0.69 C ATOM 1510 O LYS A 90 3.514 -17.449 -0.505 1.00 0.67 O ATOM 1511 CB LYS A 90 2.335 -17.536 2.423 1.00 0.81 C ATOM 1512 CG LYS A 90 1.201 -17.069 3.323 1.00 1.29 C ATOM 1513 CD LYS A 90 1.708 -16.501 4.643 1.00 1.77 C ATOM 1514 CE LYS A 90 2.042 -17.585 5.665 1.00 2.22 C ATOM 1515 NZ LYS A 90 3.203 -18.427 5.262 1.00 2.96 N ATOM 0 H LYS A 90 1.074 -19.641 2.321 1.00 0.76 H new ATOM 0 HA LYS A 90 1.182 -17.430 0.615 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.928 -18.280 2.955 1.00 0.81 H new ATOM 0 HB3 LYS A 90 2.994 -16.693 2.215 1.00 0.81 H new ATOM 0 HG2 LYS A 90 0.617 -16.309 2.803 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.531 -17.905 3.523 1.00 1.29 H new ATOM 0 HD2 LYS A 90 2.597 -15.898 4.456 1.00 1.77 H new ATOM 0 HD3 LYS A 90 0.953 -15.835 5.060 1.00 1.77 H new ATOM 0 HE2 LYS A 90 2.256 -17.117 6.626 1.00 2.22 H new ATOM 0 HE3 LYS A 90 1.170 -18.223 5.808 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 3.658 -18.820 6.111 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 2.874 -19.204 4.654 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 3.889 -17.845 4.740 1.00 2.96 H new ATOM 1529 N GLU A 91 3.524 -19.602 0.119 1.00 0.71 N ATOM 1530 CA GLU A 91 4.680 -19.910 -0.689 1.00 0.70 C ATOM 1531 C GLU A 91 4.290 -20.182 -2.143 1.00 0.67 C ATOM 1532 O GLU A 91 4.975 -19.749 -3.047 1.00 0.67 O ATOM 1533 CB GLU A 91 5.441 -21.092 -0.098 1.00 0.73 C ATOM 1534 CG GLU A 91 6.673 -21.472 -0.893 1.00 1.30 C ATOM 1535 CD GLU A 91 7.457 -22.586 -0.247 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.150 -23.769 -0.509 1.00 2.34 O ATOM 1537 OE2 GLU A 91 8.391 -22.283 0.524 1.00 2.10 O ATOM 0 H GLU A 91 3.129 -20.396 0.623 1.00 0.71 H new ATOM 0 HA GLU A 91 5.336 -19.039 -0.685 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.737 -20.850 0.923 1.00 0.73 H new ATOM 0 HB3 GLU A 91 4.774 -21.952 -0.042 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.374 -21.777 -1.896 1.00 1.30 H new ATOM 0 HG3 GLU A 91 7.314 -20.597 -1.003 1.00 1.30 H new ATOM 1544 N GLU A 92 3.215 -20.931 -2.363 1.00 0.66 N ATOM 1545 CA GLU A 92 2.692 -21.196 -3.691 1.00 0.65 C ATOM 1546 C GLU A 92 2.302 -19.903 -4.382 1.00 0.60 C ATOM 1547 O GLU A 92 2.503 -19.746 -5.573 1.00 0.57 O ATOM 1548 CB GLU A 92 1.474 -22.084 -3.573 1.00 0.69 C ATOM 1549 CG GLU A 92 1.736 -23.358 -2.816 1.00 0.74 C ATOM 1550 CD GLU A 92 2.791 -24.223 -3.475 1.00 1.06 C ATOM 1551 OE1 GLU A 92 2.533 -24.755 -4.575 1.00 1.10 O ATOM 1552 OE2 GLU A 92 3.895 -24.363 -2.907 1.00 1.45 O ATOM 0 H GLU A 92 2.680 -21.373 -1.616 1.00 0.66 H new ATOM 0 HA GLU A 92 3.464 -21.688 -4.282 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.677 -21.531 -3.075 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.115 -22.331 -4.572 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.053 -23.115 -1.802 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.808 -23.924 -2.733 1.00 0.74 H new ATOM 1559 N LEU A 93 1.756 -18.976 -3.607 1.00 0.61 N ATOM 1560 CA LEU A 93 1.534 -17.617 -4.110 1.00 0.60 C ATOM 1561 C LEU A 93 2.886 -16.961 -4.311 1.00 0.61 C ATOM 1562 O LEU A 93 3.043 -16.213 -5.270 1.00 0.64 O ATOM 1563 CB LEU A 93 0.640 -16.815 -3.166 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.799 -17.333 -3.071 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.657 -16.399 -2.244 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.396 -17.505 -4.457 1.00 1.07 C ATOM 0 H LEU A 93 1.461 -19.130 -2.643 1.00 0.61 H new ATOM 0 HA LEU A 93 1.007 -17.652 -5.063 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.083 -16.823 -2.170 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.619 -15.777 -3.498 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.775 -18.304 -2.577 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.673 -16.789 -2.192 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.246 -16.322 -1.238 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.670 -15.412 -2.706 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.418 -17.874 -4.370 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.399 -16.545 -4.973 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.800 -18.220 -5.024 1.00 1.07 H new ATOM 1578 N LYS A 94 3.861 -17.204 -3.460 1.00 0.61 N ATOM 1579 CA LYS A 94 5.171 -16.603 -3.660 1.00 0.61 C ATOM 1580 C LYS A 94 5.804 -17.148 -4.931 1.00 0.66 C ATOM 1581 O LYS A 94 6.363 -16.408 -5.735 1.00 0.72 O ATOM 1582 CB LYS A 94 6.085 -16.876 -2.470 1.00 0.64 C ATOM 1583 CG LYS A 94 7.437 -16.189 -2.584 1.00 0.69 C ATOM 1584 CD LYS A 94 8.399 -16.601 -1.476 1.00 1.16 C ATOM 1585 CE LYS A 94 7.985 -16.070 -0.110 1.00 1.38 C ATOM 1586 NZ LYS A 94 6.914 -16.886 0.522 1.00 2.06 N ATOM 0 H LYS A 94 3.779 -17.801 -2.637 1.00 0.61 H new ATOM 0 HA LYS A 94 5.040 -15.525 -3.753 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.591 -16.543 -1.557 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.238 -17.951 -2.376 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.880 -16.425 -3.551 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.295 -15.109 -2.554 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.456 -17.689 -1.436 1.00 1.16 H new ATOM 0 HD3 LYS A 94 9.399 -16.238 -1.715 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.855 -16.049 0.546 1.00 1.38 H new ATOM 0 HE3 LYS A 94 7.639 -15.042 -0.214 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 6.072 -16.295 0.675 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 6.670 -17.682 -0.102 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 7.250 -17.253 1.435 1.00 2.06 H new ATOM 1600 N ALA A 95 5.678 -18.445 -5.120 1.00 0.67 N ATOM 1601 CA ALA A 95 6.346 -19.118 -6.210 1.00 0.73 C ATOM 1602 C ALA A 95 5.543 -19.069 -7.500 1.00 0.73 C ATOM 1603 O ALA A 95 6.057 -19.288 -8.598 1.00 0.93 O ATOM 1604 CB ALA A 95 6.683 -20.547 -5.834 1.00 0.77 C ATOM 0 H ALA A 95 5.115 -19.056 -4.528 1.00 0.67 H new ATOM 0 HA ALA A 95 7.275 -18.580 -6.396 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.185 -21.034 -6.670 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.340 -20.549 -4.964 1.00 0.77 H new ATOM 0 HB3 ALA A 95 5.766 -21.087 -5.597 1.00 0.77 H new ATOM 1610 N LYS A 96 4.258 -18.763 -7.321 1.00 0.70 N ATOM 1611 CA LYS A 96 3.429 -18.331 -8.446 1.00 0.76 C ATOM 1612 C LYS A 96 3.822 -16.919 -8.882 1.00 0.58 C ATOM 1613 O LYS A 96 4.280 -16.695 -10.002 1.00 0.55 O ATOM 1614 CB LYS A 96 1.944 -18.371 -8.073 1.00 1.02 C ATOM 1615 CG LYS A 96 0.999 -18.077 -9.228 1.00 1.75 C ATOM 1616 CD LYS A 96 0.954 -19.211 -10.236 1.00 2.07 C ATOM 1617 CE LYS A 96 -0.064 -18.928 -11.328 1.00 2.92 C ATOM 1618 NZ LYS A 96 -0.185 -20.045 -12.297 1.00 3.11 N ATOM 0 H LYS A 96 3.775 -18.805 -6.424 1.00 0.70 H new ATOM 0 HA LYS A 96 3.595 -19.018 -9.276 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.710 -19.356 -7.669 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.762 -17.649 -7.277 1.00 1.02 H new ATOM 0 HG2 LYS A 96 -0.003 -17.900 -8.839 1.00 1.75 H new ATOM 0 HG3 LYS A 96 1.313 -17.161 -9.728 1.00 1.75 H new ATOM 0 HD2 LYS A 96 1.940 -19.347 -10.680 1.00 2.07 H new ATOM 0 HD3 LYS A 96 0.700 -20.143 -9.730 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -1.036 -18.739 -10.873 1.00 2.92 H new ATOM 0 HE3 LYS A 96 0.221 -18.020 -11.859 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 -0.759 -19.740 -13.109 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 0.761 -20.323 -12.627 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 -0.643 -20.857 -11.835 1.00 3.11 H new ATOM 1632 N VAL A 97 3.614 -15.983 -7.952 1.00 0.62 N ATOM 1633 CA VAL A 97 3.784 -14.551 -8.185 1.00 0.57 C ATOM 1634 C VAL A 97 5.109 -14.201 -8.851 1.00 0.54 C ATOM 1635 O VAL A 97 5.155 -13.363 -9.747 1.00 0.59 O ATOM 1636 CB VAL A 97 3.610 -13.754 -6.883 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.911 -13.626 -6.164 1.00 0.97 C ATOM 1638 CG2 VAL A 97 3.017 -12.391 -7.161 1.00 0.93 C ATOM 0 H VAL A 97 3.318 -16.205 -7.002 1.00 0.62 H new ATOM 0 HA VAL A 97 2.998 -14.266 -8.885 1.00 0.57 H new ATOM 0 HB VAL A 97 2.918 -14.300 -6.242 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.765 -13.058 -5.245 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.291 -14.618 -5.921 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.629 -13.108 -6.800 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.903 -11.846 -6.224 1.00 0.93 H new ATOM 0 HG22 VAL A 97 3.678 -11.835 -7.826 1.00 0.93 H new ATOM 0 HG23 VAL A 97 2.042 -12.508 -7.633 1.00 0.93 H new ATOM 1648 N GLU A 98 6.172 -14.854 -8.431 1.00 0.53 N ATOM 1649 CA GLU A 98 7.494 -14.555 -8.951 1.00 0.57 C ATOM 1650 C GLU A 98 7.618 -14.943 -10.417 1.00 0.52 C ATOM 1651 O GLU A 98 8.310 -14.273 -11.183 1.00 0.53 O ATOM 1652 CB GLU A 98 8.552 -15.251 -8.103 1.00 0.68 C ATOM 1653 CG GLU A 98 8.650 -14.663 -6.705 1.00 0.81 C ATOM 1654 CD GLU A 98 9.223 -13.263 -6.713 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.446 -13.115 -6.907 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.452 -12.303 -6.518 1.00 2.03 O ATOM 0 H GLU A 98 6.149 -15.596 -7.731 1.00 0.53 H new ATOM 0 HA GLU A 98 7.652 -13.478 -8.894 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.317 -16.313 -8.032 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.520 -15.171 -8.597 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.660 -14.646 -6.250 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.275 -15.306 -6.085 1.00 0.81 H new ATOM 1663 N GLU A 99 6.952 -16.016 -10.813 1.00 0.49 N ATOM 1664 CA GLU A 99 6.962 -16.451 -12.201 1.00 0.49 C ATOM 1665 C GLU A 99 5.991 -15.614 -13.022 1.00 0.48 C ATOM 1666 O GLU A 99 6.284 -15.254 -14.162 1.00 0.51 O ATOM 1667 CB GLU A 99 6.599 -17.934 -12.298 1.00 0.52 C ATOM 1668 CG GLU A 99 7.505 -18.832 -11.472 1.00 0.91 C ATOM 1669 CD GLU A 99 8.957 -18.756 -11.896 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.665 -17.824 -11.459 1.00 2.48 O ATOM 1671 OE2 GLU A 99 9.404 -19.634 -12.659 1.00 1.82 O ATOM 0 H GLU A 99 6.396 -16.603 -10.191 1.00 0.49 H new ATOM 0 HA GLU A 99 7.966 -16.314 -12.601 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.568 -18.070 -11.971 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.646 -18.244 -13.342 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.424 -18.554 -10.421 1.00 0.91 H new ATOM 0 HG3 GLU A 99 7.161 -19.863 -11.556 1.00 0.91 H new ATOM 1678 N ALA A 100 4.846 -15.287 -12.426 1.00 0.49 N ATOM 1679 CA ALA A 100 3.845 -14.464 -13.089 1.00 0.55 C ATOM 1680 C ALA A 100 4.385 -13.059 -13.339 1.00 0.54 C ATOM 1681 O ALA A 100 4.267 -12.523 -14.443 1.00 0.58 O ATOM 1682 CB ALA A 100 2.574 -14.407 -12.255 1.00 0.63 C ATOM 0 H ALA A 100 4.591 -15.582 -11.483 1.00 0.49 H new ATOM 0 HA ALA A 100 3.609 -14.915 -14.053 1.00 0.55 H new ATOM 0 HB1 ALA A 100 1.834 -13.788 -12.762 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.178 -15.414 -12.126 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.798 -13.977 -11.279 1.00 0.63 H new ATOM 1688 N LEU A 101 4.990 -12.474 -12.311 1.00 0.51 N ATOM 1689 CA LEU A 101 5.597 -11.158 -12.427 1.00 0.53 C ATOM 1690 C LEU A 101 6.943 -11.226 -13.137 1.00 0.51 C ATOM 1691 O LEU A 101 7.590 -10.208 -13.350 1.00 0.53 O ATOM 1692 CB LEU A 101 5.765 -10.515 -11.052 1.00 0.53 C ATOM 1693 CG LEU A 101 4.459 -10.161 -10.339 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.748 -9.606 -8.958 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.657 -9.162 -11.156 1.00 1.28 C ATOM 0 H LEU A 101 5.072 -12.895 -11.385 1.00 0.51 H new ATOM 0 HA LEU A 101 4.926 -10.542 -13.026 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.335 -11.194 -10.418 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.359 -9.607 -11.162 1.00 0.53 H new ATOM 0 HG LEU A 101 3.866 -11.070 -10.232 1.00 0.66 H new ATOM 0 HD11 LEU A 101 3.810 -9.358 -8.462 1.00 1.40 H new ATOM 0 HD12 LEU A 101 5.283 -10.352 -8.371 1.00 1.40 H new ATOM 0 HD13 LEU A 101 5.359 -8.708 -9.047 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.732 -8.923 -10.632 1.00 1.28 H new ATOM 0 HD22 LEU A 101 4.241 -8.252 -11.294 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.422 -9.593 -12.129 1.00 1.28 H new ATOM 1707 N HIS A 102 7.385 -12.418 -13.491 1.00 0.51 N ATOM 1708 CA HIS A 102 8.552 -12.527 -14.341 1.00 0.53 C ATOM 1709 C HIS A 102 8.075 -12.496 -15.783 1.00 0.56 C ATOM 1710 O HIS A 102 8.590 -11.740 -16.599 1.00 0.57 O ATOM 1711 CB HIS A 102 9.338 -13.800 -14.055 1.00 0.55 C ATOM 1712 CG HIS A 102 10.771 -13.722 -14.467 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.204 -13.926 -15.757 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.878 -13.447 -13.740 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.514 -13.778 -15.806 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.948 -13.486 -14.597 1.00 2.14 N ATOM 0 H HIS A 102 6.965 -13.304 -13.211 1.00 0.51 H new ATOM 0 HA HIS A 102 9.230 -11.696 -14.145 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.287 -14.017 -12.988 1.00 0.55 H new ATOM 0 HB3 HIS A 102 8.864 -14.634 -14.573 1.00 0.55 H new ATOM 0 HD2 HIS A 102 11.913 -13.236 -12.681 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.128 -13.879 -16.689 1.00 2.48 H new ATOM 0 HE2 HIS A 102 13.921 -13.317 -14.340 1.00 2.14 H new ATOM 1725 N ALA A 103 7.081 -13.326 -16.072 1.00 0.58 N ATOM 1726 CA ALA A 103 6.611 -13.575 -17.433 1.00 0.61 C ATOM 1727 C ALA A 103 5.985 -12.342 -18.104 1.00 0.61 C ATOM 1728 O ALA A 103 5.586 -12.412 -19.270 1.00 0.64 O ATOM 1729 CB ALA A 103 5.622 -14.726 -17.406 1.00 0.63 C ATOM 0 H ALA A 103 6.572 -13.852 -15.362 1.00 0.58 H new ATOM 0 HA ALA A 103 7.481 -13.828 -18.038 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.264 -14.922 -18.417 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.112 -15.618 -17.016 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.779 -14.466 -16.766 1.00 0.63 H new ATOM 1735 N VAL A 104 5.901 -11.222 -17.397 1.00 0.60 N ATOM 1736 CA VAL A 104 5.319 -10.025 -17.942 1.00 0.63 C ATOM 1737 C VAL A 104 6.310 -9.293 -18.860 1.00 0.76 C ATOM 1738 O VAL A 104 6.098 -9.243 -20.068 1.00 1.68 O ATOM 1739 CB VAL A 104 4.787 -9.136 -16.795 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.703 -9.184 -15.593 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.578 -7.699 -17.230 1.00 0.51 C ATOM 0 H VAL A 104 6.235 -11.129 -16.438 1.00 0.60 H new ATOM 0 HA VAL A 104 4.470 -10.289 -18.572 1.00 0.63 H new ATOM 0 HB VAL A 104 3.816 -9.544 -16.515 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.301 -8.549 -14.804 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.775 -10.210 -15.231 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.694 -8.828 -15.876 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.204 -7.115 -16.389 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.525 -7.280 -17.570 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.854 -7.667 -18.045 1.00 0.51 H new ATOM 1751 N THR A 105 7.350 -8.702 -18.273 1.00 0.77 N ATOM 1752 CA THR A 105 8.474 -8.105 -19.019 1.00 0.79 C ATOM 1753 C THR A 105 8.060 -6.884 -19.841 1.00 0.75 C ATOM 1754 O THR A 105 8.814 -6.420 -20.693 1.00 0.95 O ATOM 1755 CB THR A 105 9.198 -9.126 -19.941 1.00 0.94 C ATOM 1756 OG1 THR A 105 8.394 -9.467 -21.078 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.534 -10.395 -19.178 1.00 1.03 C ATOM 0 H THR A 105 7.444 -8.620 -17.261 1.00 0.77 H new ATOM 0 HA THR A 105 9.173 -7.781 -18.248 1.00 0.79 H new ATOM 0 HB THR A 105 10.116 -8.651 -20.286 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.502 -9.073 -20.978 1.00 0.88 H new ATOM 0 HG21 THR A 105 10.040 -11.096 -19.842 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.187 -10.153 -18.340 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.616 -10.848 -18.804 1.00 1.03 H new ATOM 1765 N ASP A 106 6.880 -6.352 -19.587 1.00 0.77 N ATOM 1766 CA ASP A 106 6.498 -5.077 -20.169 1.00 0.79 C ATOM 1767 C ASP A 106 6.949 -3.942 -19.265 1.00 0.73 C ATOM 1768 O ASP A 106 6.762 -3.991 -18.048 1.00 0.72 O ATOM 1769 CB ASP A 106 4.991 -5.014 -20.394 1.00 0.79 C ATOM 1770 CG ASP A 106 4.545 -5.856 -21.571 1.00 1.35 C ATOM 1771 OD1 ASP A 106 4.608 -5.369 -22.718 1.00 1.38 O ATOM 1772 OD2 ASP A 106 4.132 -7.012 -21.354 1.00 2.07 O ATOM 0 H ASP A 106 6.173 -6.777 -18.987 1.00 0.77 H new ATOM 0 HA ASP A 106 6.987 -4.975 -21.138 1.00 0.79 H new ATOM 0 HB2 ASP A 106 4.478 -5.353 -19.494 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.694 -3.978 -20.559 1.00 0.79 H new ATOM 1777 N GLU A 107 7.550 -2.931 -19.879 1.00 0.71 N ATOM 1778 CA GLU A 107 8.354 -1.938 -19.169 1.00 0.69 C ATOM 1779 C GLU A 107 7.600 -1.226 -18.051 1.00 0.66 C ATOM 1780 O GLU A 107 8.048 -1.215 -16.902 1.00 0.63 O ATOM 1781 CB GLU A 107 8.906 -0.901 -20.147 1.00 0.73 C ATOM 1782 CG GLU A 107 9.768 -1.500 -21.244 1.00 1.63 C ATOM 1783 CD GLU A 107 10.361 -0.450 -22.155 1.00 2.35 C ATOM 1784 OE1 GLU A 107 9.695 -0.068 -23.139 1.00 3.18 O ATOM 1785 OE2 GLU A 107 11.491 0.005 -21.887 1.00 2.65 O ATOM 0 H GLU A 107 7.495 -2.774 -20.885 1.00 0.71 H new ATOM 0 HA GLU A 107 9.168 -2.493 -18.702 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.074 -0.364 -20.602 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.494 -0.168 -19.594 1.00 0.73 H new ATOM 0 HG2 GLU A 107 10.573 -2.081 -20.793 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.168 -2.192 -21.835 1.00 1.63 H new ATOM 1792 N GLU A 108 6.456 -0.641 -18.392 1.00 0.67 N ATOM 1793 CA GLU A 108 5.649 0.100 -17.427 1.00 0.66 C ATOM 1794 C GLU A 108 5.174 -0.806 -16.293 1.00 0.58 C ATOM 1795 O GLU A 108 5.012 -0.365 -15.157 1.00 0.54 O ATOM 1796 CB GLU A 108 4.438 0.736 -18.118 1.00 0.76 C ATOM 1797 CG GLU A 108 3.572 -0.264 -18.870 1.00 1.46 C ATOM 1798 CD GLU A 108 2.230 0.307 -19.271 1.00 2.09 C ATOM 1799 OE1 GLU A 108 2.159 0.966 -20.324 1.00 2.78 O ATOM 1800 OE2 GLU A 108 1.240 0.096 -18.540 1.00 2.40 O ATOM 0 H GLU A 108 6.065 -0.666 -19.334 1.00 0.67 H new ATOM 0 HA GLU A 108 6.277 0.885 -17.004 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.828 1.242 -17.370 1.00 0.76 H new ATOM 0 HB3 GLU A 108 4.786 1.498 -18.815 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.101 -0.597 -19.763 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.415 -1.144 -18.246 1.00 1.46 H new ATOM 1807 N LYS A 109 4.933 -2.068 -16.608 1.00 0.59 N ATOM 1808 CA LYS A 109 4.480 -3.037 -15.628 1.00 0.55 C ATOM 1809 C LYS A 109 5.621 -3.427 -14.686 1.00 0.51 C ATOM 1810 O LYS A 109 5.436 -3.510 -13.471 1.00 0.48 O ATOM 1811 CB LYS A 109 3.896 -4.251 -16.354 1.00 0.58 C ATOM 1812 CG LYS A 109 2.667 -3.903 -17.181 1.00 0.65 C ATOM 1813 CD LYS A 109 2.107 -5.109 -17.915 1.00 1.22 C ATOM 1814 CE LYS A 109 0.916 -4.722 -18.777 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.380 -5.878 -19.542 1.00 1.81 N ATOM 0 H LYS A 109 5.046 -2.447 -17.548 1.00 0.59 H new ATOM 0 HA LYS A 109 3.697 -2.597 -15.010 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.657 -4.681 -17.005 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.633 -5.015 -15.623 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.898 -3.488 -16.529 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.925 -3.128 -17.903 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.883 -5.551 -18.540 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.806 -5.870 -17.194 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.130 -4.311 -18.144 1.00 1.11 H new ATOM 0 HE3 LYS A 109 1.212 -3.935 -19.470 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.431 -5.569 -20.116 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.122 -6.255 -20.166 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.073 -6.620 -18.881 1.00 1.81 H new ATOM 1829 N LYS A 110 6.812 -3.619 -15.243 1.00 0.53 N ATOM 1830 CA LYS A 110 7.994 -3.938 -14.438 1.00 0.53 C ATOM 1831 C LYS A 110 8.428 -2.756 -13.572 1.00 0.51 C ATOM 1832 O LYS A 110 9.255 -2.886 -12.669 1.00 0.51 O ATOM 1833 CB LYS A 110 9.183 -4.333 -15.318 1.00 0.56 C ATOM 1834 CG LYS A 110 9.018 -5.635 -16.078 1.00 0.62 C ATOM 1835 CD LYS A 110 10.364 -6.134 -16.583 1.00 0.80 C ATOM 1836 CE LYS A 110 10.936 -5.240 -17.672 1.00 0.81 C ATOM 1837 NZ LYS A 110 12.282 -5.697 -18.104 1.00 1.14 N ATOM 0 H LYS A 110 6.988 -3.560 -16.246 1.00 0.53 H new ATOM 0 HA LYS A 110 7.704 -4.774 -13.802 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.366 -3.533 -16.035 1.00 0.56 H new ATOM 0 HB3 LYS A 110 10.071 -4.407 -14.690 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.565 -6.386 -15.430 1.00 0.62 H new ATOM 0 HG3 LYS A 110 8.340 -5.488 -16.918 1.00 0.62 H new ATOM 0 HD2 LYS A 110 11.066 -6.185 -15.751 1.00 0.80 H new ATOM 0 HD3 LYS A 110 10.253 -7.147 -16.968 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.262 -5.232 -18.528 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.999 -4.215 -17.306 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.641 -5.064 -18.847 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.931 -5.681 -17.292 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.217 -6.666 -18.476 1.00 1.14 H new ATOM 1851 N GLN A 111 7.846 -1.610 -13.875 1.00 0.51 N ATOM 1852 CA GLN A 111 7.989 -0.439 -13.019 1.00 0.51 C ATOM 1853 C GLN A 111 7.351 -0.733 -11.664 1.00 0.50 C ATOM 1854 O GLN A 111 7.934 -0.460 -10.626 1.00 0.51 O ATOM 1855 CB GLN A 111 7.338 0.785 -13.683 1.00 0.52 C ATOM 1856 CG GLN A 111 7.859 2.146 -13.217 1.00 1.08 C ATOM 1857 CD GLN A 111 7.403 2.548 -11.825 1.00 1.23 C ATOM 1858 OE1 GLN A 111 6.321 3.119 -11.652 1.00 1.69 O ATOM 1859 NE2 GLN A 111 8.245 2.310 -10.832 1.00 1.61 N ATOM 0 H GLN A 111 7.271 -1.462 -14.704 1.00 0.51 H new ATOM 0 HA GLN A 111 9.045 -0.214 -12.871 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.482 0.711 -14.761 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.264 0.746 -13.502 1.00 0.52 H new ATOM 0 HG2 GLN A 111 8.949 2.132 -13.239 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.536 2.908 -13.926 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.129 1.836 -11.016 1.00 1.61 H new ATOM 0 HE22 GLN A 111 8.010 2.601 -9.883 1.00 1.61 H new ATOM 1868 N TYR A 112 6.181 -1.369 -11.692 1.00 0.50 N ATOM 1869 CA TYR A 112 5.439 -1.685 -10.470 1.00 0.49 C ATOM 1870 C TYR A 112 6.055 -2.881 -9.768 1.00 0.49 C ATOM 1871 O TYR A 112 6.009 -2.985 -8.542 1.00 0.50 O ATOM 1872 CB TYR A 112 3.973 -1.972 -10.787 1.00 0.49 C ATOM 1873 CG TYR A 112 3.254 -0.789 -11.381 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.362 0.471 -10.811 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.459 -0.938 -12.508 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.692 1.553 -11.352 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.788 0.134 -13.053 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.952 1.404 -12.475 1.00 0.80 C ATOM 1879 OH TYR A 112 1.229 2.445 -13.013 1.00 0.92 O ATOM 0 H TYR A 112 5.724 -1.677 -12.550 1.00 0.50 H new ATOM 0 HA TYR A 112 5.493 -0.819 -9.810 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.915 -2.811 -11.481 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.463 -2.278 -9.874 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.977 0.609 -9.934 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.365 -1.912 -12.966 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.760 2.520 -10.877 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.146 0.001 -13.911 1.00 0.75 H new ATOM 0 HH TYR A 112 0.302 2.397 -12.698 1.00 0.92 H new ATOM 1889 N ILE A 113 6.626 -3.791 -10.544 1.00 0.49 N ATOM 1890 CA ILE A 113 7.341 -4.916 -9.971 1.00 0.51 C ATOM 1891 C ILE A 113 8.477 -4.408 -9.083 1.00 0.53 C ATOM 1892 O ILE A 113 8.656 -4.859 -7.952 1.00 0.54 O ATOM 1893 CB ILE A 113 7.918 -5.831 -11.061 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.788 -6.325 -11.956 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.662 -7.004 -10.434 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.255 -7.236 -13.054 1.00 0.72 C ATOM 0 H ILE A 113 6.607 -3.771 -11.564 1.00 0.49 H new ATOM 0 HA ILE A 113 6.633 -5.495 -9.378 1.00 0.51 H new ATOM 0 HB ILE A 113 8.630 -5.268 -11.665 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.053 -6.850 -11.345 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.281 -5.467 -12.397 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.064 -7.642 -11.221 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.479 -6.629 -9.818 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.975 -7.581 -9.814 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.401 -7.551 -13.653 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.967 -6.707 -13.687 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.736 -8.112 -12.620 1.00 0.72 H new ATOM 1908 N ALA A 114 9.228 -3.445 -9.611 1.00 0.56 N ATOM 1909 CA ALA A 114 10.292 -2.788 -8.865 1.00 0.59 C ATOM 1910 C ALA A 114 9.705 -1.877 -7.789 1.00 0.59 C ATOM 1911 O ALA A 114 10.221 -1.803 -6.672 1.00 0.60 O ATOM 1912 CB ALA A 114 11.168 -1.983 -9.817 1.00 0.63 C ATOM 0 H ALA A 114 9.115 -3.101 -10.564 1.00 0.56 H new ATOM 0 HA ALA A 114 10.902 -3.548 -8.377 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.963 -1.493 -9.254 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.607 -2.650 -10.559 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.562 -1.229 -10.320 1.00 0.63 H new ATOM 1918 N ASP A 115 8.634 -1.186 -8.136 1.00 0.61 N ATOM 1919 CA ASP A 115 8.038 -0.181 -7.264 1.00 0.66 C ATOM 1920 C ASP A 115 7.381 -0.818 -6.051 1.00 0.60 C ATOM 1921 O ASP A 115 7.809 -0.625 -4.918 1.00 0.59 O ATOM 1922 CB ASP A 115 6.989 0.608 -8.045 1.00 0.77 C ATOM 1923 CG ASP A 115 6.903 2.054 -7.626 1.00 1.03 C ATOM 1924 OD1 ASP A 115 6.180 2.364 -6.667 1.00 1.73 O ATOM 1925 OD2 ASP A 115 7.546 2.895 -8.289 1.00 1.20 O ATOM 0 H ASP A 115 8.151 -1.303 -9.027 1.00 0.61 H new ATOM 0 HA ASP A 115 8.832 0.480 -6.916 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.222 0.557 -9.108 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.015 0.138 -7.910 1.00 0.77 H new ATOM 1930 N PHE A 116 6.367 -1.615 -6.318 1.00 0.60 N ATOM 1931 CA PHE A 116 5.522 -2.140 -5.261 1.00 0.60 C ATOM 1932 C PHE A 116 5.907 -3.556 -4.869 1.00 0.56 C ATOM 1933 O PHE A 116 5.604 -3.972 -3.763 1.00 0.55 O ATOM 1934 CB PHE A 116 4.055 -2.088 -5.667 1.00 0.68 C ATOM 1935 CG PHE A 116 3.227 -1.206 -4.788 1.00 0.53 C ATOM 1936 CD1 PHE A 116 3.140 0.151 -5.040 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.535 -1.736 -3.712 1.00 1.01 C ATOM 1938 CE1 PHE A 116 2.373 0.970 -4.230 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.769 -0.925 -2.899 1.00 1.29 C ATOM 1940 CZ PHE A 116 1.687 0.427 -3.157 1.00 1.52 C ATOM 0 H PHE A 116 6.106 -1.914 -7.258 1.00 0.60 H new ATOM 0 HA PHE A 116 5.673 -1.505 -4.388 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.983 -1.735 -6.696 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.644 -3.097 -5.647 1.00 0.68 H new ATOM 0 HD1 PHE A 116 3.675 0.575 -5.876 1.00 1.11 H new ATOM 0 HD2 PHE A 116 2.595 -2.795 -3.507 1.00 1.01 H new ATOM 0 HE1 PHE A 116 2.310 2.029 -4.434 1.00 1.62 H new ATOM 0 HE2 PHE A 116 1.235 -1.349 -2.062 1.00 1.29 H new ATOM 0 HZ PHE A 116 1.088 1.062 -2.522 1.00 1.52 H new ATOM 1950 N GLY A 117 6.581 -4.274 -5.763 1.00 0.55 N ATOM 1951 CA GLY A 117 6.886 -5.691 -5.542 1.00 0.56 C ATOM 1952 C GLY A 117 7.312 -6.037 -4.110 1.00 0.54 C ATOM 1953 O GLY A 117 6.558 -6.691 -3.381 1.00 0.55 O ATOM 0 H GLY A 117 6.927 -3.902 -6.647 1.00 0.55 H new ATOM 0 HA2 GLY A 117 6.007 -6.282 -5.798 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.681 -5.989 -6.226 1.00 0.56 H new ATOM 1957 N PRO A 118 8.516 -5.611 -3.678 1.00 0.52 N ATOM 1958 CA PRO A 118 9.040 -5.911 -2.336 1.00 0.53 C ATOM 1959 C PRO A 118 8.076 -5.538 -1.205 1.00 0.46 C ATOM 1960 O PRO A 118 7.804 -6.351 -0.322 1.00 0.45 O ATOM 1961 CB PRO A 118 10.324 -5.073 -2.238 1.00 0.54 C ATOM 1962 CG PRO A 118 10.312 -4.159 -3.420 1.00 0.65 C ATOM 1963 CD PRO A 118 9.472 -4.828 -4.469 1.00 0.53 C ATOM 0 HA PRO A 118 9.201 -6.982 -2.217 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.350 -4.506 -1.307 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.208 -5.711 -2.247 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.898 -3.186 -3.154 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.324 -3.985 -3.786 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.968 -4.101 -5.106 1.00 0.53 H new ATOM 0 HD3 PRO A 118 10.071 -5.463 -5.121 1.00 0.53 H new ATOM 1971 N ALA A 119 7.556 -4.318 -1.238 1.00 0.46 N ATOM 1972 CA ALA A 119 6.660 -3.835 -0.187 1.00 0.42 C ATOM 1973 C ALA A 119 5.319 -4.565 -0.216 1.00 0.44 C ATOM 1974 O ALA A 119 4.715 -4.832 0.822 1.00 0.43 O ATOM 1975 CB ALA A 119 6.433 -2.339 -0.335 1.00 0.41 C ATOM 0 H ALA A 119 7.737 -3.642 -1.980 1.00 0.46 H new ATOM 0 HA ALA A 119 7.137 -4.037 0.772 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.765 -1.993 0.453 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.387 -1.817 -0.257 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.985 -2.133 -1.307 1.00 0.41 H new ATOM 1981 N CYS A 120 4.875 -4.919 -1.410 1.00 0.47 N ATOM 1982 CA CYS A 120 3.650 -5.675 -1.594 1.00 0.50 C ATOM 1983 C CYS A 120 3.760 -7.047 -0.941 1.00 0.52 C ATOM 1984 O CYS A 120 2.763 -7.611 -0.504 1.00 0.53 O ATOM 1985 CB CYS A 120 3.357 -5.835 -3.087 1.00 0.56 C ATOM 1986 SG CYS A 120 1.774 -6.648 -3.470 1.00 1.17 S ATOM 0 H CYS A 120 5.355 -4.689 -2.280 1.00 0.47 H new ATOM 0 HA CYS A 120 2.834 -5.130 -1.120 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.365 -4.849 -3.552 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.164 -6.409 -3.542 1.00 0.56 H new ATOM 1991 N LYS A 121 4.975 -7.582 -0.874 1.00 0.54 N ATOM 1992 CA LYS A 121 5.199 -8.883 -0.243 1.00 0.58 C ATOM 1993 C LYS A 121 4.847 -8.867 1.244 1.00 0.59 C ATOM 1994 O LYS A 121 4.274 -9.835 1.747 1.00 0.65 O ATOM 1995 CB LYS A 121 6.642 -9.345 -0.448 1.00 0.63 C ATOM 1996 CG LYS A 121 6.802 -10.371 -1.563 1.00 1.01 C ATOM 1997 CD LYS A 121 6.163 -9.901 -2.862 1.00 1.04 C ATOM 1998 CE LYS A 121 6.419 -10.877 -3.999 1.00 1.37 C ATOM 1999 NZ LYS A 121 7.857 -10.926 -4.375 1.00 1.47 N ATOM 0 H LYS A 121 5.816 -7.140 -1.245 1.00 0.54 H new ATOM 0 HA LYS A 121 4.531 -9.595 -0.729 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.264 -8.478 -0.672 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.014 -9.772 0.483 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.862 -10.565 -1.729 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.350 -11.314 -1.256 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.089 -9.784 -2.718 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.558 -8.920 -3.128 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.087 -11.872 -3.705 1.00 1.37 H new ATOM 0 HE3 LYS A 121 5.827 -10.587 -4.867 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 7.943 -11.121 -5.393 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.304 -10.012 -4.158 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.331 -11.680 -3.837 1.00 1.47 H new ATOM 2013 N LYS A 122 5.202 -7.796 1.958 1.00 0.54 N ATOM 2014 CA LYS A 122 4.778 -7.677 3.354 1.00 0.55 C ATOM 2015 C LYS A 122 3.264 -7.480 3.393 1.00 0.53 C ATOM 2016 O LYS A 122 2.593 -7.934 4.317 1.00 0.57 O ATOM 2017 CB LYS A 122 5.509 -6.548 4.095 1.00 0.52 C ATOM 2018 CG LYS A 122 5.056 -5.142 3.738 1.00 0.46 C ATOM 2019 CD LYS A 122 5.816 -4.098 4.542 1.00 0.47 C ATOM 2020 CE LYS A 122 7.275 -4.022 4.124 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.086 -3.231 5.081 1.00 1.50 N ATOM 0 H LYS A 122 5.764 -7.021 1.606 1.00 0.54 H new ATOM 0 HA LYS A 122 5.043 -8.596 3.877 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.378 -6.694 5.167 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.576 -6.632 3.890 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.209 -4.967 2.673 1.00 0.46 H new ATOM 0 HG3 LYS A 122 3.987 -5.043 3.927 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.347 -3.123 4.408 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.753 -4.339 5.603 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.684 -5.030 4.049 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.345 -3.575 3.133 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.075 -3.204 4.759 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.713 -2.262 5.134 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.040 -3.672 6.022 1.00 1.50 H new ATOM 2035 N ILE A 123 2.735 -6.782 2.397 1.00 0.49 N ATOM 2036 CA ILE A 123 1.322 -6.424 2.377 1.00 0.48 C ATOM 2037 C ILE A 123 0.420 -7.633 2.131 1.00 0.51 C ATOM 2038 O ILE A 123 -0.547 -7.898 2.842 1.00 0.54 O ATOM 2039 CB ILE A 123 1.044 -5.351 1.320 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.796 -4.074 1.692 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.447 -5.085 1.206 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.649 -2.976 0.677 1.00 0.44 C ATOM 0 H ILE A 123 3.264 -6.451 1.590 1.00 0.49 H new ATOM 0 HA ILE A 123 1.089 -6.027 3.365 1.00 0.48 H new ATOM 0 HB ILE A 123 1.392 -5.702 0.349 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.435 -3.717 2.657 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.854 -4.307 1.813 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.623 -4.320 0.450 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.960 -6.003 0.919 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.830 -4.741 2.167 1.00 0.47 H new ATOM 0 HD11 ILE A 123 2.208 -2.100 1.005 1.00 0.44 H new ATOM 0 HD12 ILE A 123 2.036 -3.315 -0.284 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.596 -2.716 0.572 1.00 0.44 H new ATOM 2054 N TYR A 124 0.817 -8.372 1.104 1.00 0.52 N ATOM 2055 CA TYR A 124 0.266 -9.668 0.722 1.00 0.58 C ATOM 2056 C TYR A 124 0.732 -10.766 1.674 1.00 0.64 C ATOM 2057 O TYR A 124 0.561 -11.937 1.367 1.00 0.82 O ATOM 2058 CB TYR A 124 0.670 -10.026 -0.710 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.322 -9.581 -1.760 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.740 -8.258 -1.824 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -0.836 -10.476 -2.690 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.642 -7.839 -2.781 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -1.740 -10.064 -3.650 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.151 -8.786 -3.696 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.039 -8.333 -4.642 1.00 1.17 O ATOM 0 H TYR A 124 1.568 -8.071 0.484 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.820 -9.593 0.779 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.639 -9.575 -0.926 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.798 -11.106 -0.781 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.352 -7.544 -1.112 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -0.524 -11.510 -2.662 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -1.953 -6.806 -2.829 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -2.119 -10.775 -4.369 1.00 1.28 H new ATOM 0 HH TYR A 124 -3.317 -9.079 -5.214 1.00 1.17 H new ATOM 2075 N GLY A 125 1.106 -10.346 2.886 1.00 0.73 N ATOM 2076 CA GLY A 125 2.190 -10.892 3.745 1.00 0.86 C ATOM 2077 C GLY A 125 2.726 -12.299 3.457 1.00 0.71 C ATOM 2078 O GLY A 125 3.153 -13.001 4.373 1.00 0.78 O ATOM 0 H GLY A 125 0.634 -9.561 3.335 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.032 -10.202 3.692 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.832 -10.880 4.775 1.00 0.86 H new ATOM 2082 N VAL A 126 2.695 -12.698 2.199 1.00 0.71 N ATOM 2083 CA VAL A 126 3.273 -13.956 1.717 1.00 0.84 C ATOM 2084 C VAL A 126 4.765 -14.078 2.032 1.00 0.99 C ATOM 2085 O VAL A 126 5.346 -15.143 1.833 1.00 1.53 O ATOM 2086 CB VAL A 126 3.114 -14.094 0.184 1.00 0.93 C ATOM 2087 CG1 VAL A 126 1.666 -14.334 -0.207 1.00 1.38 C ATOM 2088 CG2 VAL A 126 3.654 -12.857 -0.526 1.00 0.98 C ATOM 0 H VAL A 126 2.258 -12.148 1.459 1.00 0.71 H new ATOM 0 HA VAL A 126 2.727 -14.743 2.238 1.00 0.84 H new ATOM 0 HB VAL A 126 3.694 -14.962 -0.129 1.00 0.93 H new ATOM 0 HG11 VAL A 126 1.592 -14.426 -1.291 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.310 -15.252 0.260 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.055 -13.496 0.129 1.00 1.38 H new ATOM 0 HG21 VAL A 126 3.533 -12.974 -1.603 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.104 -11.977 -0.192 1.00 0.98 H new ATOM 0 HG23 VAL A 126 4.711 -12.735 -0.291 1.00 0.98 H new