USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 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 8 LYS NZ :NH3+ -149:sc= -0.0664 (180deg=0) USER MOD Set 1.2: A 96 ASN : amide:sc= -0.0697 K(o=-0.14,f=-1.5) USER MOD Set 2.1: A 38 SER OG : rot -128:sc= 1.79 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0.401 USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= -2.16 (180deg=-4.73!) USER MOD Single : A 11 SER OG : rot 154:sc= -0.677 USER MOD Single : A 16 LYS NZ :NH3+ 133:sc= -0.834 (180deg=-3.86!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 40:sc= 0.291 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.971 K(o=-0.97,f=-3.5!) USER MOD Single : A 66 ASN : amide:sc= -2.74 K(o=-2.7,f=-7.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -163:sc= 0.236 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -4.76 X(o=-4.8,f=-5.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 0 (180deg=-5.63e-05) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.322 4.579 11.315 1.00 0.00 N ATOM 67 CA LYS A 8 3.487 4.736 10.130 1.00 0.00 C ATOM 68 C LYS A 8 4.278 4.434 8.862 1.00 0.00 C ATOM 69 O LYS A 8 3.825 4.717 7.753 1.00 0.00 O ATOM 70 CB LYS A 8 2.921 6.156 10.065 1.00 0.00 C ATOM 71 CG LYS A 8 1.599 6.250 9.323 1.00 0.00 C ATOM 72 CD LYS A 8 0.472 5.600 10.108 1.00 0.00 C ATOM 73 CE LYS A 8 -0.824 5.581 9.311 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.009 5.354 10.184 1.00 0.00 N ATOM 0 HA LYS A 8 2.663 4.026 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.786 6.531 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.648 6.806 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.358 7.297 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.692 5.767 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.752 4.581 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.318 6.141 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.939 6.527 8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.774 4.797 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.741 4.843 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.727 4.791 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.388 6.270 10.500 1.00 0.00 H new ATOM 88 N VAL A 9 5.463 3.855 9.033 1.00 0.00 N ATOM 89 CA VAL A 9 6.317 3.512 7.901 1.00 0.00 C ATOM 90 C VAL A 9 6.913 2.119 8.066 1.00 0.00 C ATOM 91 O VAL A 9 6.804 1.506 9.128 1.00 0.00 O ATOM 92 CB VAL A 9 7.460 4.531 7.731 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.901 5.921 7.468 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.358 4.532 8.959 1.00 0.00 C ATOM 0 H VAL A 9 5.853 3.614 9.944 1.00 0.00 H new ATOM 0 HA VAL A 9 5.688 3.532 7.011 1.00 0.00 H new ATOM 0 HB VAL A 9 8.060 4.238 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.723 6.627 7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.302 5.906 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.277 6.227 8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.160 5.257 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.772 4.800 9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.786 3.539 9.097 1.00 0.00 H new ATOM 104 N LYS A 10 7.544 1.623 7.007 1.00 0.00 N ATOM 105 CA LYS A 10 8.160 0.302 7.032 1.00 0.00 C ATOM 106 C LYS A 10 8.947 0.044 5.751 1.00 0.00 C ATOM 107 O LYS A 10 8.537 0.455 4.666 1.00 0.00 O ATOM 108 CB LYS A 10 7.092 -0.779 7.213 1.00 0.00 C ATOM 109 CG LYS A 10 7.609 -2.039 7.885 1.00 0.00 C ATOM 110 CD LYS A 10 6.618 -3.184 7.759 1.00 0.00 C ATOM 111 CE LYS A 10 7.298 -4.532 7.946 1.00 0.00 C ATOM 112 NZ LYS A 10 6.346 -5.571 8.430 1.00 0.00 N ATOM 0 H LYS A 10 7.642 2.117 6.120 1.00 0.00 H new ATOM 0 HA LYS A 10 8.850 0.267 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.272 -0.372 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.682 -1.040 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.559 -2.328 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.802 -1.838 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.829 -3.067 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.142 -3.148 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.735 -4.852 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.117 -4.430 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.541 -6.472 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.460 -5.695 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.371 -5.272 8.224 1.00 0.00 H new ATOM 126 N SER A 11 10.079 -0.640 5.885 1.00 0.00 N ATOM 127 CA SER A 11 10.924 -0.951 4.738 1.00 0.00 C ATOM 128 C SER A 11 11.682 -2.257 4.959 1.00 0.00 C ATOM 129 O SER A 11 12.256 -2.482 6.024 1.00 0.00 O ATOM 130 CB SER A 11 11.913 0.188 4.483 1.00 0.00 C ATOM 131 OG SER A 11 11.260 1.446 4.508 1.00 0.00 O ATOM 0 H SER A 11 10.432 -0.989 6.776 1.00 0.00 H new ATOM 0 HA SER A 11 10.281 -1.067 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.699 0.168 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.396 0.045 3.517 1.00 0.00 H new ATOM 0 HG SER A 11 11.902 2.143 4.759 1.00 0.00 H new ATOM 137 N GLY A 12 11.677 -3.116 3.944 1.00 0.00 N ATOM 138 CA GLY A 12 12.366 -4.389 4.046 1.00 0.00 C ATOM 139 C GLY A 12 12.500 -5.085 2.707 1.00 0.00 C ATOM 140 O GLY A 12 11.652 -4.925 1.829 1.00 0.00 O ATOM 0 H GLY A 12 11.208 -2.953 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.358 -4.229 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.825 -5.037 4.736 1.00 0.00 H new ATOM 144 N TRP A 13 13.569 -5.858 2.548 1.00 0.00 N ATOM 145 CA TRP A 13 13.812 -6.579 1.304 1.00 0.00 C ATOM 146 C TRP A 13 12.708 -7.598 1.041 1.00 0.00 C ATOM 147 O TRP A 13 12.649 -8.645 1.686 1.00 0.00 O ATOM 148 CB TRP A 13 15.169 -7.282 1.355 1.00 0.00 C ATOM 149 CG TRP A 13 16.325 -6.359 1.116 1.00 0.00 C ATOM 150 CD1 TRP A 13 17.270 -5.977 2.026 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.657 -5.700 -0.111 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.170 -5.120 1.438 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.816 -4.935 0.127 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.090 -5.683 -1.387 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.414 -4.163 -0.865 1.00 0.00 C ATOM 156 CZ3 TRP A 13 16.684 -4.916 -2.371 1.00 0.00 C ATOM 157 CH2 TRP A 13 17.837 -4.165 -2.106 1.00 0.00 C ATOM 0 H TRP A 13 14.281 -6.001 3.265 1.00 0.00 H new ATOM 0 HA TRP A 13 13.815 -5.856 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.288 -7.757 2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.187 -8.076 0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 13 17.305 -6.301 3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.971 -4.692 1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.202 -6.260 -1.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.302 -3.583 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.252 -4.895 -3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.279 -3.576 -2.896 1.00 0.00 H new ATOM 168 N LEU A 14 11.834 -7.284 0.090 1.00 0.00 N ATOM 169 CA LEU A 14 10.731 -8.173 -0.259 1.00 0.00 C ATOM 170 C LEU A 14 10.790 -8.562 -1.732 1.00 0.00 C ATOM 171 O LEU A 14 11.462 -7.908 -2.531 1.00 0.00 O ATOM 172 CB LEU A 14 9.392 -7.502 0.051 1.00 0.00 C ATOM 173 CG LEU A 14 9.164 -7.100 1.508 1.00 0.00 C ATOM 174 CD1 LEU A 14 8.034 -6.087 1.611 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.863 -8.325 2.359 1.00 0.00 C ATOM 0 H LEU A 14 11.868 -6.421 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 14 10.823 -9.079 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.303 -6.610 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.592 -8.179 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 14 10.076 -6.637 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.886 -5.812 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.289 -5.198 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.116 -6.524 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.704 -8.019 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.966 -8.817 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.704 -9.017 2.311 1.00 0.00 H new ATOM 187 N ASP A 15 10.082 -9.628 -2.086 1.00 0.00 N ATOM 188 CA ASP A 15 10.050 -10.102 -3.465 1.00 0.00 C ATOM 189 C ASP A 15 8.877 -9.489 -4.224 1.00 0.00 C ATOM 190 O ASP A 15 7.719 -9.665 -3.845 1.00 0.00 O ATOM 191 CB ASP A 15 9.955 -11.628 -3.500 1.00 0.00 C ATOM 192 CG ASP A 15 11.274 -12.298 -3.170 1.00 0.00 C ATOM 193 OD1 ASP A 15 11.882 -11.937 -2.140 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.698 -13.185 -3.940 1.00 0.00 O ATOM 0 H ASP A 15 9.522 -10.181 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 15 10.975 -9.792 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.196 -11.958 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.627 -11.946 -4.490 1.00 0.00 H new ATOM 199 N LYS A 16 9.185 -8.768 -5.297 1.00 0.00 N ATOM 200 CA LYS A 16 8.158 -8.128 -6.110 1.00 0.00 C ATOM 201 C LYS A 16 7.882 -8.937 -7.373 1.00 0.00 C ATOM 202 O LYS A 16 8.796 -9.236 -8.143 1.00 0.00 O ATOM 203 CB LYS A 16 8.586 -6.707 -6.484 1.00 0.00 C ATOM 204 CG LYS A 16 7.627 -6.015 -7.437 1.00 0.00 C ATOM 205 CD LYS A 16 6.504 -5.317 -6.689 1.00 0.00 C ATOM 206 CE LYS A 16 5.290 -6.222 -6.536 1.00 0.00 C ATOM 207 NZ LYS A 16 4.491 -6.293 -7.790 1.00 0.00 N ATOM 0 H LYS A 16 10.139 -8.612 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 16 7.241 -8.081 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.675 -6.112 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.576 -6.742 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.172 -5.287 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.206 -6.747 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.857 -5.010 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.218 -4.410 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.616 -7.224 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.662 -5.853 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.264 -7.286 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.609 -5.754 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.040 -5.888 -8.575 1.00 0.00 H new ATOM 221 N LEU A 17 6.618 -9.287 -7.582 1.00 0.00 N ATOM 222 CA LEU A 17 6.221 -10.061 -8.753 1.00 0.00 C ATOM 223 C LEU A 17 5.728 -9.145 -9.869 1.00 0.00 C ATOM 224 O LEU A 17 4.744 -8.424 -9.704 1.00 0.00 O ATOM 225 CB LEU A 17 5.128 -11.064 -8.381 1.00 0.00 C ATOM 226 CG LEU A 17 4.456 -11.788 -9.548 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.330 -12.931 -10.041 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.084 -12.303 -9.137 1.00 0.00 C ATOM 0 H LEU A 17 5.850 -9.047 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 17 7.095 -10.604 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.560 -11.812 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.359 -10.539 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 17 4.326 -11.078 -10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.836 -13.435 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.290 -12.537 -10.375 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.492 -13.641 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.620 -12.816 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.191 -12.998 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.457 -11.465 -8.832 1.00 0.00 H new ATOM 372 N GLN A 26 11.082 -11.121 -8.314 1.00 0.00 N ATOM 373 CA GLN A 26 12.286 -10.307 -8.442 1.00 0.00 C ATOM 374 C GLN A 26 12.556 -9.530 -7.157 1.00 0.00 C ATOM 375 O GLN A 26 11.917 -8.514 -6.887 1.00 0.00 O ATOM 376 CB GLN A 26 12.149 -9.339 -9.618 1.00 0.00 C ATOM 377 CG GLN A 26 13.476 -8.772 -10.097 1.00 0.00 C ATOM 378 CD GLN A 26 14.129 -9.633 -11.160 1.00 0.00 C ATOM 379 OE1 GLN A 26 15.083 -10.362 -10.886 1.00 0.00 O ATOM 380 NE2 GLN A 26 13.617 -9.555 -12.383 1.00 0.00 N ATOM 0 HA GLN A 26 13.128 -10.974 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.663 -9.854 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.496 -8.516 -9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.316 -7.770 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.153 -8.674 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.826 -8.938 -12.566 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.015 -10.112 -13.139 1.00 0.00 H new ATOM 389 N LYS A 27 13.508 -10.016 -6.368 1.00 0.00 N ATOM 390 CA LYS A 27 13.866 -9.367 -5.112 1.00 0.00 C ATOM 391 C LYS A 27 14.021 -7.862 -5.301 1.00 0.00 C ATOM 392 O LYS A 27 14.720 -7.410 -6.208 1.00 0.00 O ATOM 393 CB LYS A 27 15.164 -9.959 -4.560 1.00 0.00 C ATOM 394 CG LYS A 27 15.705 -9.217 -3.350 1.00 0.00 C ATOM 395 CD LYS A 27 16.652 -8.101 -3.757 1.00 0.00 C ATOM 396 CE LYS A 27 18.074 -8.611 -3.930 1.00 0.00 C ATOM 397 NZ LYS A 27 18.980 -7.558 -4.468 1.00 0.00 N ATOM 0 H LYS A 27 14.046 -10.857 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 27 13.061 -9.544 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.992 -11.001 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.919 -9.954 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.876 -8.801 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.226 -9.917 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.309 -7.654 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.636 -7.315 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.454 -8.961 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.073 -9.468 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.940 -7.945 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.632 -7.242 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.001 -6.751 -3.813 1.00 0.00 H new ATOM 411 N ARG A 28 13.366 -7.091 -4.439 1.00 0.00 N ATOM 412 CA ARG A 28 13.432 -5.636 -4.512 1.00 0.00 C ATOM 413 C ARG A 28 13.050 -5.007 -3.176 1.00 0.00 C ATOM 414 O ARG A 28 12.048 -5.382 -2.566 1.00 0.00 O ATOM 415 CB ARG A 28 12.508 -5.117 -5.615 1.00 0.00 C ATOM 416 CG ARG A 28 13.151 -5.104 -6.992 1.00 0.00 C ATOM 417 CD ARG A 28 12.319 -4.313 -7.989 1.00 0.00 C ATOM 418 NE ARG A 28 12.556 -4.743 -9.364 1.00 0.00 N ATOM 419 CZ ARG A 28 13.558 -4.294 -10.112 1.00 0.00 C ATOM 420 NH1 ARG A 28 14.412 -3.408 -9.619 1.00 0.00 N ATOM 421 NH2 ARG A 28 13.708 -4.733 -11.355 1.00 0.00 N ATOM 0 H ARG A 28 12.784 -7.449 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 28 14.459 -5.355 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.612 -5.736 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.188 -4.106 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.149 -4.670 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.271 -6.127 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.262 -4.428 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.553 -3.253 -7.896 1.00 0.00 H new ATOM 0 HE ARG A 28 11.917 -5.425 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.301 -3.069 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.180 -3.065 -10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.054 -5.416 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.478 -4.388 -11.928 1.00 0.00 H new ATOM 435 N TRP A 29 13.853 -4.050 -2.727 1.00 0.00 N ATOM 436 CA TRP A 29 13.599 -3.369 -1.463 1.00 0.00 C ATOM 437 C TRP A 29 12.358 -2.489 -1.558 1.00 0.00 C ATOM 438 O TRP A 29 12.224 -1.685 -2.481 1.00 0.00 O ATOM 439 CB TRP A 29 14.810 -2.523 -1.063 1.00 0.00 C ATOM 440 CG TRP A 29 14.548 -1.630 0.112 1.00 0.00 C ATOM 441 CD1 TRP A 29 13.709 -0.554 0.153 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.133 -1.736 1.415 1.00 0.00 C ATOM 443 NE1 TRP A 29 13.735 0.016 1.403 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.600 -0.691 2.196 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.051 -2.612 1.999 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.959 -0.500 3.528 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.406 -2.421 3.321 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.861 -1.373 4.074 1.00 0.00 C ATOM 0 H TRP A 29 14.686 -3.728 -3.220 1.00 0.00 H new ATOM 0 HA TRP A 29 13.426 -4.127 -0.699 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.645 -3.184 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.115 -1.913 -1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.112 -0.202 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.198 0.833 1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.476 -3.424 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.541 0.308 4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.116 -3.092 3.782 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.158 -1.251 5.105 1.00 0.00 H new ATOM 459 N VAL A 30 11.452 -2.645 -0.598 1.00 0.00 N ATOM 460 CA VAL A 30 10.221 -1.863 -0.574 1.00 0.00 C ATOM 461 C VAL A 30 10.218 -0.881 0.592 1.00 0.00 C ATOM 462 O VAL A 30 10.626 -1.217 1.704 1.00 0.00 O ATOM 463 CB VAL A 30 8.981 -2.771 -0.470 1.00 0.00 C ATOM 464 CG1 VAL A 30 7.711 -1.936 -0.415 1.00 0.00 C ATOM 465 CG2 VAL A 30 8.937 -3.748 -1.635 1.00 0.00 C ATOM 0 H VAL A 30 11.547 -3.306 0.173 1.00 0.00 H new ATOM 0 HA VAL A 30 10.178 -1.310 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 30 9.049 -3.346 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.845 -2.595 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.744 -1.281 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.633 -1.333 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.055 -4.382 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.892 -3.194 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.832 -4.369 -1.623 1.00 0.00 H new ATOM 475 N LYS A 31 9.754 0.337 0.331 1.00 0.00 N ATOM 476 CA LYS A 31 9.694 1.370 1.358 1.00 0.00 C ATOM 477 C LYS A 31 8.327 2.046 1.371 1.00 0.00 C ATOM 478 O LYS A 31 7.707 2.236 0.325 1.00 0.00 O ATOM 479 CB LYS A 31 10.789 2.414 1.124 1.00 0.00 C ATOM 480 CG LYS A 31 10.816 3.512 2.172 1.00 0.00 C ATOM 481 CD LYS A 31 11.320 4.824 1.593 1.00 0.00 C ATOM 482 CE LYS A 31 10.726 6.020 2.322 1.00 0.00 C ATOM 483 NZ LYS A 31 10.778 7.256 1.493 1.00 0.00 N ATOM 0 H LYS A 31 9.414 0.633 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 31 9.854 0.895 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.758 1.915 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.646 2.864 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.814 3.653 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.456 3.209 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.407 4.859 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.064 4.878 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.691 5.805 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.268 6.184 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.364 8.048 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.767 7.476 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.239 7.109 0.616 1.00 0.00 H new ATOM 497 N PHE A 32 7.863 2.408 2.562 1.00 0.00 N ATOM 498 CA PHE A 32 6.569 3.063 2.712 1.00 0.00 C ATOM 499 C PHE A 32 6.693 4.326 3.560 1.00 0.00 C ATOM 500 O PHE A 32 7.210 4.288 4.677 1.00 0.00 O ATOM 501 CB PHE A 32 5.558 2.106 3.347 1.00 0.00 C ATOM 502 CG PHE A 32 4.182 2.691 3.483 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.538 3.244 2.388 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.531 2.687 4.707 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.272 3.784 2.511 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.264 3.225 4.836 1.00 0.00 C ATOM 507 CZ PHE A 32 1.634 3.773 3.736 1.00 0.00 C ATOM 0 H PHE A 32 8.364 2.259 3.438 1.00 0.00 H new ATOM 0 HA PHE A 32 6.217 3.346 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.501 1.199 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.918 1.812 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.031 3.253 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.019 2.259 5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.782 4.214 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.768 3.217 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.644 4.192 3.833 1.00 0.00 H new ATOM 517 N ASP A 33 6.216 5.442 3.021 1.00 0.00 N ATOM 518 CA ASP A 33 6.273 6.717 3.728 1.00 0.00 C ATOM 519 C ASP A 33 4.869 7.243 4.012 1.00 0.00 C ATOM 520 O ASP A 33 4.653 8.452 4.095 1.00 0.00 O ATOM 521 CB ASP A 33 7.059 7.743 2.910 1.00 0.00 C ATOM 522 CG ASP A 33 6.317 8.181 1.663 1.00 0.00 C ATOM 523 OD1 ASP A 33 5.517 9.134 1.754 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.537 7.570 0.596 1.00 0.00 O ATOM 0 H ASP A 33 5.786 5.490 2.097 1.00 0.00 H new ATOM 0 HA ASP A 33 6.781 6.555 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.267 8.615 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.021 7.317 2.626 1.00 0.00 H new ATOM 529 N GLY A 34 3.917 6.327 4.160 1.00 0.00 N ATOM 530 CA GLY A 34 2.547 6.718 4.433 1.00 0.00 C ATOM 531 C GLY A 34 1.783 7.072 3.172 1.00 0.00 C ATOM 532 O GLY A 34 0.665 6.600 2.961 1.00 0.00 O ATOM 0 H GLY A 34 4.070 5.321 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.036 5.904 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.544 7.574 5.108 1.00 0.00 H new ATOM 536 N LEU A 35 2.386 7.907 2.333 1.00 0.00 N ATOM 537 CA LEU A 35 1.756 8.326 1.086 1.00 0.00 C ATOM 538 C LEU A 35 1.705 7.174 0.087 1.00 0.00 C ATOM 539 O LEU A 35 0.627 6.708 -0.284 1.00 0.00 O ATOM 540 CB LEU A 35 2.514 9.508 0.480 1.00 0.00 C ATOM 541 CG LEU A 35 2.379 10.841 1.218 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.507 11.784 0.827 1.00 0.00 C ATOM 543 CD2 LEU A 35 1.027 11.476 0.929 1.00 0.00 C ATOM 0 H LEU A 35 3.310 8.307 2.494 1.00 0.00 H new ATOM 0 HA LEU A 35 0.735 8.634 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.572 9.249 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.171 9.647 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 35 2.447 10.650 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.395 12.727 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.465 11.332 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.471 11.969 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.949 12.423 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.930 11.653 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.233 10.807 1.259 1.00 0.00 H new ATOM 555 N SER A 36 2.877 6.719 -0.343 1.00 0.00 N ATOM 556 CA SER A 36 2.966 5.622 -1.300 1.00 0.00 C ATOM 557 C SER A 36 4.125 4.692 -0.954 1.00 0.00 C ATOM 558 O SER A 36 4.940 4.996 -0.083 1.00 0.00 O ATOM 559 CB SER A 36 3.141 6.168 -2.718 1.00 0.00 C ATOM 560 OG SER A 36 2.162 7.150 -3.011 1.00 0.00 O ATOM 0 H SER A 36 3.778 7.093 -0.044 1.00 0.00 H new ATOM 0 HA SER A 36 2.038 5.052 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.136 6.599 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.068 5.352 -3.437 1.00 0.00 H new ATOM 0 HG SER A 36 2.296 7.484 -3.922 1.00 0.00 H new ATOM 566 N ILE A 37 4.192 3.558 -1.644 1.00 0.00 N ATOM 567 CA ILE A 37 5.251 2.584 -1.412 1.00 0.00 C ATOM 568 C ILE A 37 6.310 2.652 -2.506 1.00 0.00 C ATOM 569 O ILE A 37 6.071 2.243 -3.642 1.00 0.00 O ATOM 570 CB ILE A 37 4.692 1.151 -1.342 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.674 1.032 -0.205 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.823 0.150 -1.155 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.600 -0.002 -0.462 1.00 0.00 C ATOM 0 H ILE A 37 3.525 3.291 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 37 5.706 2.835 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 37 4.187 0.927 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.198 0.778 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.203 2.002 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.412 -0.858 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.514 0.221 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.354 0.370 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.914 -0.032 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.050 0.261 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.061 -0.981 -0.590 1.00 0.00 H new ATOM 585 N SER A 38 7.483 3.170 -2.156 1.00 0.00 N ATOM 586 CA SER A 38 8.580 3.294 -3.109 1.00 0.00 C ATOM 587 C SER A 38 9.602 2.179 -2.909 1.00 0.00 C ATOM 588 O SER A 38 10.260 2.103 -1.871 1.00 0.00 O ATOM 589 CB SER A 38 9.259 4.656 -2.963 1.00 0.00 C ATOM 590 OG SER A 38 9.927 5.024 -4.158 1.00 0.00 O ATOM 0 H SER A 38 7.698 3.511 -1.219 1.00 0.00 H new ATOM 0 HA SER A 38 8.167 3.208 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.515 5.412 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.972 4.624 -2.139 1.00 0.00 H new ATOM 0 HG SER A 38 10.856 5.262 -3.954 1.00 0.00 H new ATOM 596 N TYR A 39 9.729 1.315 -3.910 1.00 0.00 N ATOM 597 CA TYR A 39 10.669 0.202 -3.844 1.00 0.00 C ATOM 598 C TYR A 39 11.855 0.435 -4.775 1.00 0.00 C ATOM 599 O TYR A 39 11.691 0.897 -5.904 1.00 0.00 O ATOM 600 CB TYR A 39 9.968 -1.107 -4.211 1.00 0.00 C ATOM 601 CG TYR A 39 9.392 -1.115 -5.609 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.149 -0.553 -5.872 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.091 -1.684 -6.666 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.618 -0.558 -7.148 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.569 -1.693 -7.945 1.00 0.00 C ATOM 606 CZ TYR A 39 8.332 -1.129 -8.181 1.00 0.00 C ATOM 607 OH TYR A 39 7.808 -1.136 -9.453 1.00 0.00 O ATOM 0 H TYR A 39 9.193 1.364 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 39 11.041 0.133 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.678 -1.929 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.167 -1.293 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.588 -0.104 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.059 -2.127 -6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.650 -0.118 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.126 -2.139 -8.756 1.00 0.00 H new ATOM 0 HH TYR A 39 8.437 -1.575 -10.063 1.00 0.00 H new ATOM 617 N TYR A 40 13.049 0.111 -4.292 1.00 0.00 N ATOM 618 CA TYR A 40 14.265 0.285 -5.079 1.00 0.00 C ATOM 619 C TYR A 40 15.056 -1.017 -5.155 1.00 0.00 C ATOM 620 O TYR A 40 14.665 -2.029 -4.575 1.00 0.00 O ATOM 621 CB TYR A 40 15.134 1.389 -4.474 1.00 0.00 C ATOM 622 CG TYR A 40 14.344 2.581 -3.983 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.466 3.252 -4.825 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.477 3.037 -2.678 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.742 4.342 -4.381 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.757 4.126 -2.224 1.00 0.00 C ATOM 627 CZ TYR A 40 12.891 4.775 -3.080 1.00 0.00 C ATOM 628 OH TYR A 40 12.173 5.860 -2.632 1.00 0.00 O ATOM 0 H TYR A 40 13.201 -0.273 -3.360 1.00 0.00 H new ATOM 0 HA TYR A 40 13.976 0.572 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.706 0.975 -3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.854 1.724 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.347 2.916 -5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.155 2.532 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.063 4.852 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.872 4.467 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 40 12.394 6.033 -1.693 1.00 0.00 H new ATOM 789 N GLY A 50 9.434 2.792 -9.980 1.00 0.00 N ATOM 790 CA GLY A 50 8.770 1.758 -9.207 1.00 0.00 C ATOM 791 C GLY A 50 8.133 2.299 -7.943 1.00 0.00 C ATOM 792 O GLY A 50 8.759 2.317 -6.883 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.005 1.284 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.492 0.985 -8.944 1.00 0.00 H new ATOM 796 N ILE A 51 6.885 2.742 -8.054 1.00 0.00 N ATOM 797 CA ILE A 51 6.163 3.286 -6.910 1.00 0.00 C ATOM 798 C ILE A 51 4.696 2.872 -6.939 1.00 0.00 C ATOM 799 O ILE A 51 4.064 2.861 -7.996 1.00 0.00 O ATOM 800 CB ILE A 51 6.251 4.823 -6.869 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.758 5.348 -5.519 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.442 5.431 -8.006 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.844 5.424 -4.468 1.00 0.00 C ATOM 0 H ILE A 51 6.353 2.735 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 51 6.635 2.879 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 51 7.294 5.115 -6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.329 6.340 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.958 4.702 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.514 6.518 -7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.834 5.078 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.398 5.133 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.423 5.804 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.258 4.430 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.634 6.093 -4.809 1.00 0.00 H new ATOM 815 N ILE A 52 4.159 2.535 -5.771 1.00 0.00 N ATOM 816 CA ILE A 52 2.765 2.124 -5.662 1.00 0.00 C ATOM 817 C ILE A 52 1.954 3.137 -4.861 1.00 0.00 C ATOM 818 O ILE A 52 2.138 3.302 -3.655 1.00 0.00 O ATOM 819 CB ILE A 52 2.636 0.740 -4.998 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.432 -0.303 -5.786 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.174 0.334 -4.898 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.709 -1.568 -5.004 1.00 0.00 C ATOM 0 H ILE A 52 4.668 2.539 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 52 2.372 2.069 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 52 3.046 0.797 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.883 -0.559 -6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.379 0.135 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.100 -0.646 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.633 1.067 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.739 0.290 -5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.277 -2.262 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.285 -1.325 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.766 -2.030 -4.713 1.00 0.00 H new ATOM 834 N PRO A 53 1.032 3.830 -5.546 1.00 0.00 N ATOM 835 CA PRO A 53 0.172 4.838 -4.918 1.00 0.00 C ATOM 836 C PRO A 53 -0.853 4.218 -3.974 1.00 0.00 C ATOM 837 O PRO A 53 -1.595 3.312 -4.356 1.00 0.00 O ATOM 838 CB PRO A 53 -0.528 5.499 -6.108 1.00 0.00 C ATOM 839 CG PRO A 53 -0.514 4.463 -7.178 1.00 0.00 C ATOM 840 CD PRO A 53 0.758 3.684 -6.985 1.00 0.00 C ATOM 0 HA PRO A 53 0.742 5.533 -4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.547 5.793 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.005 6.402 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.385 3.812 -7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.544 4.922 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.635 2.638 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.570 4.084 -7.591 1.00 0.00 H new ATOM 848 N LEU A 54 -0.890 4.711 -2.741 1.00 0.00 N ATOM 849 CA LEU A 54 -1.825 4.206 -1.742 1.00 0.00 C ATOM 850 C LEU A 54 -3.230 4.085 -2.324 1.00 0.00 C ATOM 851 O LEU A 54 -3.947 3.124 -2.047 1.00 0.00 O ATOM 852 CB LEU A 54 -1.844 5.126 -0.521 1.00 0.00 C ATOM 853 CG LEU A 54 -2.877 4.791 0.556 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.370 3.672 1.453 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.209 6.027 1.379 1.00 0.00 C ATOM 0 H LEU A 54 -0.283 5.460 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.491 3.214 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.854 5.111 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.022 6.146 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.788 4.450 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.118 3.448 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.183 2.781 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.444 3.984 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.945 5.770 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.304 6.398 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.616 6.800 0.727 1.00 0.00 H new ATOM 867 N SER A 55 -3.617 5.067 -3.133 1.00 0.00 N ATOM 868 CA SER A 55 -4.936 5.072 -3.752 1.00 0.00 C ATOM 869 C SER A 55 -5.199 3.758 -4.482 1.00 0.00 C ATOM 870 O SER A 55 -6.257 3.149 -4.325 1.00 0.00 O ATOM 871 CB SER A 55 -5.061 6.244 -4.728 1.00 0.00 C ATOM 872 OG SER A 55 -6.252 6.150 -5.489 1.00 0.00 O ATOM 0 H SER A 55 -3.035 5.869 -3.374 1.00 0.00 H new ATOM 0 HA SER A 55 -5.679 5.185 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.052 7.184 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.200 6.259 -5.396 1.00 0.00 H new ATOM 0 HG SER A 55 -6.309 6.911 -6.104 1.00 0.00 H new ATOM 878 N ALA A 56 -4.228 3.327 -5.280 1.00 0.00 N ATOM 879 CA ALA A 56 -4.352 2.085 -6.033 1.00 0.00 C ATOM 880 C ALA A 56 -4.808 0.941 -5.133 1.00 0.00 C ATOM 881 O ALA A 56 -5.760 0.230 -5.453 1.00 0.00 O ATOM 882 CB ALA A 56 -3.030 1.739 -6.702 1.00 0.00 C ATOM 0 H ALA A 56 -3.346 3.820 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.109 2.230 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.137 0.809 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.746 2.541 -7.383 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.258 1.618 -5.942 1.00 0.00 H new ATOM 888 N ILE A 57 -4.121 0.770 -4.008 1.00 0.00 N ATOM 889 CA ILE A 57 -4.456 -0.287 -3.063 1.00 0.00 C ATOM 890 C ILE A 57 -5.954 -0.314 -2.776 1.00 0.00 C ATOM 891 O ILE A 57 -6.436 0.373 -1.876 1.00 0.00 O ATOM 892 CB ILE A 57 -3.694 -0.118 -1.736 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.184 -0.138 -1.984 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.089 -1.212 -0.755 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.368 0.264 -0.775 1.00 0.00 C ATOM 0 H ILE A 57 -3.329 1.350 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.160 -1.229 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.960 0.846 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.888 -1.140 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.951 0.534 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.542 -1.079 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.160 -1.156 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.849 -2.186 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.307 0.227 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.636 1.277 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.572 -0.423 0.047 1.00 0.00 H new ATOM 907 N SER A 58 -6.684 -1.113 -3.547 1.00 0.00 N ATOM 908 CA SER A 58 -8.128 -1.228 -3.377 1.00 0.00 C ATOM 909 C SER A 58 -8.465 -2.091 -2.164 1.00 0.00 C ATOM 910 O SER A 58 -9.353 -1.758 -1.378 1.00 0.00 O ATOM 911 CB SER A 58 -8.765 -1.825 -4.634 1.00 0.00 C ATOM 912 OG SER A 58 -8.516 -1.011 -5.767 1.00 0.00 O ATOM 0 H SER A 58 -6.300 -1.690 -4.295 1.00 0.00 H new ATOM 0 HA SER A 58 -8.531 -0.228 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.368 -2.825 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.840 -1.930 -4.486 1.00 0.00 H new ATOM 0 HG SER A 58 -7.596 -0.675 -5.733 1.00 0.00 H new ATOM 918 N THR A 59 -7.750 -3.202 -2.019 1.00 0.00 N ATOM 919 CA THR A 59 -7.973 -4.113 -0.904 1.00 0.00 C ATOM 920 C THR A 59 -6.834 -5.119 -0.779 1.00 0.00 C ATOM 921 O THR A 59 -6.204 -5.484 -1.772 1.00 0.00 O ATOM 922 CB THR A 59 -9.302 -4.877 -1.059 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.584 -5.616 0.135 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.245 -5.825 -2.247 1.00 0.00 C ATOM 0 H THR A 59 -7.012 -3.492 -2.660 1.00 0.00 H new ATOM 0 HA THR A 59 -8.016 -3.503 -0.002 1.00 0.00 H new ATOM 0 HB THR A 59 -10.096 -4.150 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.431 -6.097 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.194 -6.353 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.059 -5.256 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.441 -6.546 -2.099 1.00 0.00 H new ATOM 932 N VAL A 60 -6.574 -5.563 0.446 1.00 0.00 N ATOM 933 CA VAL A 60 -5.511 -6.529 0.700 1.00 0.00 C ATOM 934 C VAL A 60 -6.061 -7.795 1.347 1.00 0.00 C ATOM 935 O VAL A 60 -6.956 -7.734 2.191 1.00 0.00 O ATOM 936 CB VAL A 60 -4.418 -5.934 1.608 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.341 -6.970 1.894 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.817 -4.690 0.972 1.00 0.00 C ATOM 0 H VAL A 60 -7.085 -5.269 1.279 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.074 -6.780 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.873 -5.646 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.577 -6.533 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.787 -7.830 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.886 -7.291 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.047 -4.283 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.375 -4.950 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.598 -3.944 0.823 1.00 0.00 H new ATOM 948 N ARG A 61 -5.521 -8.941 0.947 1.00 0.00 N ATOM 949 CA ARG A 61 -5.958 -10.222 1.487 1.00 0.00 C ATOM 950 C ARG A 61 -4.804 -11.219 1.525 1.00 0.00 C ATOM 951 O ARG A 61 -4.026 -11.321 0.576 1.00 0.00 O ATOM 952 CB ARG A 61 -7.107 -10.787 0.651 1.00 0.00 C ATOM 953 CG ARG A 61 -6.756 -10.978 -0.816 1.00 0.00 C ATOM 954 CD ARG A 61 -7.971 -11.394 -1.630 1.00 0.00 C ATOM 955 NE ARG A 61 -8.251 -12.822 -1.505 1.00 0.00 N ATOM 956 CZ ARG A 61 -8.971 -13.510 -2.384 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.480 -12.904 -3.448 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.182 -14.807 -2.201 1.00 0.00 N ATOM 0 H ARG A 61 -4.779 -9.008 0.250 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.306 -10.057 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.413 -11.745 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.964 -10.117 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.348 -10.050 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.978 -11.735 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.840 -10.824 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.806 -11.147 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.873 -13.318 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.319 -11.907 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.033 -13.435 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.791 -15.277 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.735 -15.334 -2.877 1.00 0.00 H new ATOM 972 N VAL A 62 -4.697 -11.952 2.629 1.00 0.00 N ATOM 973 CA VAL A 62 -3.638 -12.941 2.790 1.00 0.00 C ATOM 974 C VAL A 62 -3.854 -14.134 1.866 1.00 0.00 C ATOM 975 O VAL A 62 -4.961 -14.663 1.768 1.00 0.00 O ATOM 976 CB VAL A 62 -3.555 -13.442 4.245 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.965 -12.368 5.146 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.928 -13.870 4.740 1.00 0.00 C ATOM 0 H VAL A 62 -5.331 -11.879 3.425 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.702 -12.447 2.528 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.897 -14.310 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.914 -12.739 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.962 -12.115 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.595 -11.479 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.851 -14.221 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.611 -13.022 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.307 -14.674 4.110 1.00 0.00 H new ATOM 988 N GLN A 63 -2.789 -14.551 1.189 1.00 0.00 N ATOM 989 CA GLN A 63 -2.863 -15.682 0.271 1.00 0.00 C ATOM 990 C GLN A 63 -1.591 -16.521 0.337 1.00 0.00 C ATOM 991 O GLN A 63 -0.483 -15.986 0.345 1.00 0.00 O ATOM 992 CB GLN A 63 -3.091 -15.191 -1.159 1.00 0.00 C ATOM 993 CG GLN A 63 -2.058 -14.178 -1.626 1.00 0.00 C ATOM 994 CD GLN A 63 -1.972 -14.086 -3.137 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.878 -13.569 -3.792 1.00 0.00 O ATOM 996 NE2 GLN A 63 -0.879 -14.589 -3.700 1.00 0.00 N ATOM 0 H GLN A 63 -1.866 -14.123 1.259 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.704 -16.307 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.080 -16.047 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.083 -14.744 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.307 -13.198 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.081 -14.450 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.153 -15.008 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.766 -14.556 -4.713 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.759 -17.839 0.384 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.615 -18.730 0.449 1.00 0.00 C ATOM 1007 C GLY A 64 0.070 -18.697 1.801 1.00 0.00 C ATOM 1008 O GLY A 64 -0.552 -18.370 2.812 1.00 0.00 O ATOM 0 H GLY A 64 -2.666 -18.305 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.939 -19.748 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.101 -18.453 -0.325 1.00 0.00 H new ATOM 1012 N ASP A 65 1.353 -19.038 1.821 1.00 0.00 N ATOM 1013 CA ASP A 65 2.124 -19.046 3.059 1.00 0.00 C ATOM 1014 C ASP A 65 3.018 -17.814 3.151 1.00 0.00 C ATOM 1015 O ASP A 65 3.745 -17.491 2.212 1.00 0.00 O ATOM 1016 CB ASP A 65 2.972 -20.316 3.148 1.00 0.00 C ATOM 1017 CG ASP A 65 3.919 -20.297 4.332 1.00 0.00 C ATOM 1018 OD1 ASP A 65 3.431 -20.273 5.481 1.00 0.00 O ATOM 1019 OD2 ASP A 65 5.148 -20.305 4.109 1.00 0.00 O ATOM 0 H ASP A 65 1.882 -19.313 0.993 1.00 0.00 H new ATOM 0 HA ASP A 65 1.424 -19.027 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.316 -21.183 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.546 -20.431 2.229 1.00 0.00 H new ATOM 1024 N ASN A 66 2.959 -17.129 4.289 1.00 0.00 N ATOM 1025 CA ASN A 66 3.762 -15.931 4.503 1.00 0.00 C ATOM 1026 C ASN A 66 3.700 -15.010 3.288 1.00 0.00 C ATOM 1027 O ASN A 66 4.713 -14.450 2.867 1.00 0.00 O ATOM 1028 CB ASN A 66 5.215 -16.312 4.794 1.00 0.00 C ATOM 1029 CG ASN A 66 5.339 -17.267 5.966 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.565 -18.216 6.091 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.316 -17.019 6.830 1.00 0.00 N ATOM 0 H ASN A 66 2.363 -17.384 5.077 1.00 0.00 H new ATOM 0 HA ASN A 66 3.353 -15.398 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.652 -16.771 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.790 -15.409 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.449 -17.627 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.934 -16.220 6.686 1.00 0.00 H new ATOM 1038 N LYS A 67 2.505 -14.858 2.728 1.00 0.00 N ATOM 1039 CA LYS A 67 2.308 -14.004 1.563 1.00 0.00 C ATOM 1040 C LYS A 67 0.931 -13.349 1.595 1.00 0.00 C ATOM 1041 O LYS A 67 0.034 -13.800 2.308 1.00 0.00 O ATOM 1042 CB LYS A 67 2.469 -14.817 0.277 1.00 0.00 C ATOM 1043 CG LYS A 67 3.910 -15.179 -0.038 1.00 0.00 C ATOM 1044 CD LYS A 67 4.140 -15.301 -1.535 1.00 0.00 C ATOM 1045 CE LYS A 67 3.405 -16.499 -2.116 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.192 -17.755 -1.976 1.00 0.00 N ATOM 0 H LYS A 67 1.657 -15.316 3.063 1.00 0.00 H new ATOM 0 HA LYS A 67 3.064 -13.219 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.883 -15.732 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.056 -14.249 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.575 -14.419 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.164 -16.121 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.804 -14.391 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.208 -15.396 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.445 -16.614 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.193 -16.319 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.656 -18.548 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.098 -17.655 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.372 -17.941 -0.969 1.00 0.00 H new ATOM 1060 N PHE A 68 0.769 -12.285 0.816 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.500 -11.568 0.755 1.00 0.00 C ATOM 1062 C PHE A 68 -0.771 -11.061 -0.659 1.00 0.00 C ATOM 1063 O PHE A 68 0.081 -11.168 -1.541 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.496 -10.395 1.737 1.00 0.00 C ATOM 1065 CG PHE A 68 0.724 -9.526 1.627 1.00 0.00 C ATOM 1066 CD1 PHE A 68 1.915 -9.901 2.227 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.679 -8.332 0.925 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.040 -9.104 2.127 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.800 -7.531 0.822 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.982 -7.916 1.424 1.00 0.00 C ATOM 0 H PHE A 68 1.500 -11.900 0.218 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.294 -12.262 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.383 -9.785 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.566 -10.782 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.965 -10.827 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.242 -8.024 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.963 -9.409 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.752 -6.604 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.859 -7.290 1.345 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.962 -10.510 -0.866 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.346 -9.988 -2.172 1.00 0.00 C ATOM 1082 C GLU A 69 -2.709 -8.508 -2.082 1.00 0.00 C ATOM 1083 O GLU A 69 -3.485 -8.100 -1.218 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.527 -10.780 -2.736 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.648 -10.699 -4.249 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.965 -11.249 -4.759 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.509 -12.175 -4.122 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -5.453 -10.753 -5.797 1.00 0.00 O ATOM 0 H GLU A 69 -2.678 -10.413 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.493 -10.095 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.425 -11.825 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.449 -10.411 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.547 -9.660 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.827 -11.251 -4.706 1.00 0.00 H new ATOM 1095 N VAL A 70 -2.140 -7.710 -2.979 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.403 -6.276 -3.002 1.00 0.00 C ATOM 1097 C VAL A 70 -3.115 -5.868 -4.287 1.00 0.00 C ATOM 1098 O VAL A 70 -2.495 -5.756 -5.345 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.101 -5.464 -2.870 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.386 -3.974 -2.987 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.408 -5.781 -1.554 1.00 0.00 C ATOM 0 H VAL A 70 -1.494 -8.032 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.046 -6.059 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.433 -5.746 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.454 -3.417 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.836 -3.765 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.072 -3.672 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.510 -5.199 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.069 -5.528 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.168 -6.844 -1.516 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.422 -5.646 -4.188 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.220 -5.249 -5.343 1.00 0.00 C ATOM 1113 C VAL A 71 -4.990 -3.783 -5.691 1.00 0.00 C ATOM 1114 O VAL A 71 -5.056 -2.909 -4.825 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.722 -5.477 -5.092 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.538 -5.034 -6.297 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.991 -6.938 -4.763 1.00 0.00 C ATOM 0 H VAL A 71 -4.951 -5.734 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.901 -5.872 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.026 -4.874 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.597 -5.203 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.368 -3.973 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.235 -5.608 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.057 -7.081 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.673 -7.563 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.436 -7.217 -3.867 1.00 0.00 H new ATOM 1127 N THR A 72 -4.721 -3.518 -6.965 1.00 0.00 N ATOM 1128 CA THR A 72 -4.481 -2.157 -7.429 1.00 0.00 C ATOM 1129 C THR A 72 -5.166 -1.903 -8.766 1.00 0.00 C ATOM 1130 O THR A 72 -5.597 -2.837 -9.443 1.00 0.00 O ATOM 1131 CB THR A 72 -2.975 -1.870 -7.574 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.380 -2.817 -8.469 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.279 -1.935 -6.223 1.00 0.00 C ATOM 0 H THR A 72 -4.664 -4.228 -7.695 1.00 0.00 H new ATOM 0 HA THR A 72 -4.900 -1.489 -6.677 1.00 0.00 H new ATOM 0 HB THR A 72 -2.856 -0.865 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.406 -2.804 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.216 -1.729 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.714 -1.193 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.407 -2.929 -5.795 1.00 0.00 H new ATOM 1141 N THR A 73 -5.264 -0.632 -9.144 1.00 0.00 N ATOM 1142 CA THR A 73 -5.897 -0.255 -10.402 1.00 0.00 C ATOM 1143 C THR A 73 -5.180 -0.887 -11.590 1.00 0.00 C ATOM 1144 O THR A 73 -5.775 -1.651 -12.349 1.00 0.00 O ATOM 1145 CB THR A 73 -5.918 1.274 -10.584 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.525 1.895 -9.444 1.00 0.00 O ATOM 1147 CG2 THR A 73 -6.681 1.659 -11.843 1.00 0.00 C ATOM 0 H THR A 73 -4.913 0.154 -8.597 1.00 0.00 H new ATOM 0 HA THR A 73 -6.922 -0.623 -10.362 1.00 0.00 H new ATOM 0 HB THR A 73 -4.889 1.620 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.533 2.867 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.682 2.744 -11.950 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.200 1.209 -12.712 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.708 1.300 -11.770 1.00 0.00 H new ATOM 1155 N GLN A 74 -3.901 -0.563 -11.743 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.103 -1.100 -12.840 1.00 0.00 C ATOM 1157 C GLN A 74 -3.243 -2.616 -12.922 1.00 0.00 C ATOM 1158 O GLN A 74 -3.744 -3.150 -13.912 1.00 0.00 O ATOM 1159 CB GLN A 74 -1.632 -0.720 -12.662 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.328 0.724 -13.029 1.00 0.00 C ATOM 1161 CD GLN A 74 0.141 0.954 -13.324 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.878 1.483 -12.491 1.00 0.00 O ATOM 1163 NE2 GLN A 74 0.575 0.557 -14.515 1.00 0.00 N ATOM 0 H GLN A 74 -3.395 0.068 -11.122 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.472 -0.668 -13.770 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.344 -0.891 -11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.018 -1.379 -13.276 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.918 1.005 -13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.637 1.375 -12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.071 0.123 -15.175 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.554 0.686 -14.770 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.796 -3.304 -11.877 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.869 -4.760 -11.832 1.00 0.00 C ATOM 1174 C ARG A 75 -2.472 -5.282 -10.455 1.00 0.00 C ATOM 1175 O ARG A 75 -1.513 -4.803 -9.849 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.962 -5.371 -12.902 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.480 -5.166 -12.633 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.064 -3.724 -12.879 1.00 0.00 C ATOM 1179 NE ARG A 75 1.355 -3.612 -13.206 1.00 0.00 N ATOM 1180 CZ ARG A 75 1.841 -3.765 -14.433 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.025 -4.033 -15.444 1.00 0.00 N ATOM 1182 NH2 ARG A 75 3.144 -3.648 -14.652 1.00 0.00 N ATOM 0 H ARG A 75 -2.379 -2.877 -11.050 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.900 -5.053 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.166 -6.440 -12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.211 -4.935 -13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.255 -5.440 -11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.102 -5.828 -13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.658 -3.309 -13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.280 -3.128 -11.992 1.00 0.00 H new ATOM 0 HE ARG A 75 2.009 -3.405 -12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.022 -4.122 -15.280 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.400 -4.150 -16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.775 -3.440 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.515 -3.766 -15.595 1.00 0.00 H new ATOM 1196 N THR A 76 -3.217 -6.268 -9.964 1.00 0.00 N ATOM 1197 CA THR A 76 -2.945 -6.855 -8.658 1.00 0.00 C ATOM 1198 C THR A 76 -1.521 -7.394 -8.584 1.00 0.00 C ATOM 1199 O THR A 76 -1.009 -7.959 -9.551 1.00 0.00 O ATOM 1200 CB THR A 76 -3.931 -7.994 -8.337 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.278 -7.533 -8.489 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.722 -8.507 -6.920 1.00 0.00 C ATOM 0 H THR A 76 -4.014 -6.677 -10.452 1.00 0.00 H new ATOM 0 HA THR A 76 -3.069 -6.060 -7.922 1.00 0.00 H new ATOM 0 HB THR A 76 -3.747 -8.812 -9.034 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.899 -8.263 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.429 -9.311 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.705 -8.884 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.882 -7.694 -6.212 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.886 -7.218 -7.430 1.00 0.00 N ATOM 1211 CA PHE A 77 0.480 -7.687 -7.230 1.00 0.00 C ATOM 1212 C PHE A 77 0.550 -8.681 -6.074 1.00 0.00 C ATOM 1213 O PHE A 77 -0.393 -8.810 -5.293 1.00 0.00 O ATOM 1214 CB PHE A 77 1.414 -6.505 -6.958 1.00 0.00 C ATOM 1215 CG PHE A 77 1.384 -5.458 -8.034 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.901 -5.724 -9.292 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.838 -4.209 -7.789 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.876 -4.762 -10.284 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.809 -3.243 -8.777 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.328 -3.520 -10.027 1.00 0.00 C ATOM 0 H PHE A 77 -1.296 -6.754 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 77 0.801 -8.192 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.139 -6.046 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.434 -6.875 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.328 -6.694 -9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.430 -3.987 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.285 -4.981 -11.259 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.381 -2.273 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.305 -2.768 -10.801 1.00 0.00 H new ATOM 1230 N VAL A 78 1.675 -9.382 -5.971 1.00 0.00 N ATOM 1231 CA VAL A 78 1.869 -10.364 -4.911 1.00 0.00 C ATOM 1232 C VAL A 78 3.215 -10.169 -4.221 1.00 0.00 C ATOM 1233 O VAL A 78 4.269 -10.287 -4.847 1.00 0.00 O ATOM 1234 CB VAL A 78 1.789 -11.802 -5.457 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.037 -12.810 -4.345 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.440 -12.046 -6.117 1.00 0.00 C ATOM 0 H VAL A 78 2.466 -9.288 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 78 1.067 -10.212 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 78 2.566 -11.930 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.976 -13.820 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.028 -12.648 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.284 -12.685 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.400 -13.067 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.355 -11.900 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.307 -11.346 -6.942 1.00 0.00 H new ATOM 1246 N PHE A 79 3.172 -9.869 -2.927 1.00 0.00 N ATOM 1247 CA PHE A 79 4.388 -9.656 -2.151 1.00 0.00 C ATOM 1248 C PHE A 79 4.669 -10.850 -1.243 1.00 0.00 C ATOM 1249 O PHE A 79 3.749 -11.539 -0.803 1.00 0.00 O ATOM 1250 CB PHE A 79 4.268 -8.381 -1.314 1.00 0.00 C ATOM 1251 CG PHE A 79 4.503 -7.124 -2.100 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.769 -6.808 -2.565 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.457 -6.257 -2.374 1.00 0.00 C ATOM 1254 CE1 PHE A 79 5.989 -5.651 -3.289 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.671 -5.099 -3.098 1.00 0.00 C ATOM 1256 CZ PHE A 79 4.938 -4.795 -3.555 1.00 0.00 C ATOM 0 H PHE A 79 2.308 -9.768 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 79 5.220 -9.547 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.274 -8.341 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.984 -8.426 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.594 -7.474 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.464 -6.489 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.981 -5.417 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.847 -4.432 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.107 -3.890 -4.119 1.00 0.00 H new ATOM 1266 N ARG A 80 5.947 -11.088 -0.967 1.00 0.00 N ATOM 1267 CA ARG A 80 6.350 -12.199 -0.113 1.00 0.00 C ATOM 1268 C ARG A 80 7.279 -11.720 0.999 1.00 0.00 C ATOM 1269 O ARG A 80 8.291 -11.069 0.740 1.00 0.00 O ATOM 1270 CB ARG A 80 7.045 -13.281 -0.942 1.00 0.00 C ATOM 1271 CG ARG A 80 7.701 -14.364 -0.101 1.00 0.00 C ATOM 1272 CD ARG A 80 9.096 -13.955 0.346 1.00 0.00 C ATOM 1273 NE ARG A 80 9.913 -15.108 0.713 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.950 -15.040 1.541 1.00 0.00 C ATOM 1275 NH1 ARG A 80 11.293 -13.881 2.086 1.00 0.00 N ATOM 1276 NH2 ARG A 80 11.645 -16.133 1.827 1.00 0.00 N ATOM 0 H ARG A 80 6.721 -10.527 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 80 5.453 -12.619 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.315 -13.742 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.802 -12.814 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.084 -14.571 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.759 -15.288 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.587 -13.404 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.020 -13.279 1.197 1.00 0.00 H new ATOM 0 HE ARG A 80 9.675 -16.015 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.760 -13.038 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.090 -13.832 2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.384 -17.027 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.441 -16.080 2.463 1.00 0.00 H new ATOM 1290 N VAL A 81 6.927 -12.047 2.239 1.00 0.00 N ATOM 1291 CA VAL A 81 7.728 -11.652 3.391 1.00 0.00 C ATOM 1292 C VAL A 81 8.645 -12.785 3.838 1.00 0.00 C ATOM 1293 O VAL A 81 8.557 -13.903 3.332 1.00 0.00 O ATOM 1294 CB VAL A 81 6.838 -11.229 4.575 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.035 -9.986 4.222 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.919 -12.370 4.984 1.00 0.00 C ATOM 0 H VAL A 81 6.092 -12.585 2.471 1.00 0.00 H new ATOM 0 HA VAL A 81 8.333 -10.801 3.079 1.00 0.00 H new ATOM 0 HB VAL A 81 7.480 -10.988 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.412 -9.702 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.716 -9.169 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.401 -10.195 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.297 -12.054 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.282 -12.644 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.518 -13.231 5.281 1.00 0.00 H new ATOM 1306 N GLU A 82 9.525 -12.487 4.789 1.00 0.00 N ATOM 1307 CA GLU A 82 10.459 -13.482 5.303 1.00 0.00 C ATOM 1308 C GLU A 82 9.879 -14.192 6.523 1.00 0.00 C ATOM 1309 O GLU A 82 10.295 -15.299 6.867 1.00 0.00 O ATOM 1310 CB GLU A 82 11.790 -12.823 5.668 1.00 0.00 C ATOM 1311 CG GLU A 82 12.810 -13.790 6.246 1.00 0.00 C ATOM 1312 CD GLU A 82 13.419 -14.694 5.192 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.169 -14.182 4.335 1.00 0.00 O ATOM 1314 OE2 GLU A 82 13.147 -15.912 5.225 1.00 0.00 O ATOM 0 H GLU A 82 9.611 -11.566 5.219 1.00 0.00 H new ATOM 0 HA GLU A 82 10.630 -14.221 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.210 -12.354 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.606 -12.028 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.603 -13.226 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.332 -14.401 7.012 1.00 0.00 H new ATOM 1321 N LYS A 83 8.916 -13.548 7.173 1.00 0.00 N ATOM 1322 CA LYS A 83 8.277 -14.117 8.354 1.00 0.00 C ATOM 1323 C LYS A 83 6.793 -13.767 8.391 1.00 0.00 C ATOM 1324 O LYS A 83 6.357 -12.804 7.762 1.00 0.00 O ATOM 1325 CB LYS A 83 8.963 -13.609 9.625 1.00 0.00 C ATOM 1326 CG LYS A 83 10.451 -13.909 9.674 1.00 0.00 C ATOM 1327 CD LYS A 83 10.722 -15.297 10.228 1.00 0.00 C ATOM 1328 CE LYS A 83 12.187 -15.681 10.079 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.031 -15.072 11.144 1.00 0.00 N ATOM 0 H LYS A 83 8.561 -12.631 6.902 1.00 0.00 H new ATOM 0 HA LYS A 83 8.376 -15.201 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.815 -12.532 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.481 -14.060 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.873 -13.827 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.953 -13.165 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.441 -15.331 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.099 -16.025 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.284 -16.766 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.549 -15.361 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.022 -15.357 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.959 -14.036 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.702 -15.397 12.076 1.00 0.00 H new ATOM 1343 N GLU A 84 6.022 -14.555 9.134 1.00 0.00 N ATOM 1344 CA GLU A 84 4.586 -14.328 9.253 1.00 0.00 C ATOM 1345 C GLU A 84 4.300 -12.920 9.767 1.00 0.00 C ATOM 1346 O GLU A 84 3.559 -12.160 9.145 1.00 0.00 O ATOM 1347 CB GLU A 84 3.959 -15.362 10.189 1.00 0.00 C ATOM 1348 CG GLU A 84 2.501 -15.084 10.513 1.00 0.00 C ATOM 1349 CD GLU A 84 2.054 -15.744 11.803 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.245 -16.971 11.939 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.513 -15.034 12.677 1.00 0.00 O ATOM 0 H GLU A 84 6.368 -15.356 9.662 1.00 0.00 H new ATOM 0 HA GLU A 84 4.144 -14.432 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.039 -16.349 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.529 -15.393 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.348 -14.007 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.877 -15.438 9.693 1.00 0.00 H new ATOM 1358 N GLU A 85 4.893 -12.581 10.908 1.00 0.00 N ATOM 1359 CA GLU A 85 4.700 -11.265 11.507 1.00 0.00 C ATOM 1360 C GLU A 85 4.678 -10.178 10.436 1.00 0.00 C ATOM 1361 O GLU A 85 3.738 -9.388 10.359 1.00 0.00 O ATOM 1362 CB GLU A 85 5.807 -10.975 12.521 1.00 0.00 C ATOM 1363 CG GLU A 85 5.776 -11.889 13.735 1.00 0.00 C ATOM 1364 CD GLU A 85 6.754 -11.462 14.812 1.00 0.00 C ATOM 1365 OE1 GLU A 85 6.490 -10.442 15.482 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.784 -12.147 14.985 1.00 0.00 O ATOM 0 H GLU A 85 5.510 -13.199 11.435 1.00 0.00 H new ATOM 0 HA GLU A 85 3.738 -11.265 12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.774 -11.073 12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.722 -9.940 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.768 -11.902 14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.006 -12.908 13.424 1.00 0.00 H new ATOM 1373 N GLU A 86 5.722 -10.145 9.613 1.00 0.00 N ATOM 1374 CA GLU A 86 5.823 -9.154 8.548 1.00 0.00 C ATOM 1375 C GLU A 86 4.539 -9.107 7.725 1.00 0.00 C ATOM 1376 O GLU A 86 4.077 -8.034 7.336 1.00 0.00 O ATOM 1377 CB GLU A 86 7.013 -9.469 7.640 1.00 0.00 C ATOM 1378 CG GLU A 86 8.358 -9.349 8.336 1.00 0.00 C ATOM 1379 CD GLU A 86 8.812 -7.910 8.485 1.00 0.00 C ATOM 1380 OE1 GLU A 86 8.815 -7.181 7.470 1.00 0.00 O ATOM 1381 OE2 GLU A 86 9.164 -7.512 9.615 1.00 0.00 O ATOM 0 H GLU A 86 6.509 -10.792 9.663 1.00 0.00 H new ATOM 0 HA GLU A 86 5.975 -8.178 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.904 -10.481 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.995 -8.794 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.295 -9.810 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.106 -9.905 7.771 1.00 0.00 H new ATOM 1388 N ARG A 87 3.968 -10.279 7.462 1.00 0.00 N ATOM 1389 CA ARG A 87 2.739 -10.373 6.684 1.00 0.00 C ATOM 1390 C ARG A 87 1.648 -9.489 7.282 1.00 0.00 C ATOM 1391 O ARG A 87 1.087 -8.632 6.601 1.00 0.00 O ATOM 1392 CB ARG A 87 2.259 -11.824 6.622 1.00 0.00 C ATOM 1393 CG ARG A 87 1.084 -12.037 5.681 1.00 0.00 C ATOM 1394 CD ARG A 87 0.855 -13.514 5.403 1.00 0.00 C ATOM 1395 NE ARG A 87 0.578 -14.265 6.625 1.00 0.00 N ATOM 1396 CZ ARG A 87 0.097 -15.503 6.634 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.158 -16.127 5.492 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.129 -16.120 7.787 1.00 0.00 N ATOM 0 H ARG A 87 4.337 -11.176 7.777 1.00 0.00 H new ATOM 0 HA ARG A 87 2.951 -10.025 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.087 -12.458 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.975 -12.147 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.184 -11.604 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.268 -11.513 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.021 -13.627 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.735 -13.931 4.913 1.00 0.00 H new ATOM 0 HE ARG A 87 0.764 -13.814 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.015 -15.656 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.527 -17.078 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.067 -15.643 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.498 -17.071 7.793 1.00 0.00 H new ATOM 1412 N ASN A 88 1.352 -9.706 8.559 1.00 0.00 N ATOM 1413 CA ASN A 88 0.328 -8.930 9.249 1.00 0.00 C ATOM 1414 C ASN A 88 0.737 -7.465 9.359 1.00 0.00 C ATOM 1415 O ASN A 88 -0.072 -6.565 9.133 1.00 0.00 O ATOM 1416 CB ASN A 88 0.074 -9.507 10.643 1.00 0.00 C ATOM 1417 CG ASN A 88 1.014 -8.934 11.686 1.00 0.00 C ATOM 1418 OD1 ASN A 88 0.926 -7.757 12.037 1.00 0.00 O ATOM 1419 ND2 ASN A 88 1.921 -9.765 12.186 1.00 0.00 N ATOM 0 H ASN A 88 1.807 -10.413 9.137 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.591 -8.989 8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.956 -9.303 10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.188 -10.591 10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.581 -9.436 12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.958 -10.733 11.866 1.00 0.00 H new ATOM 1426 N ASP A 89 1.998 -7.233 9.707 1.00 0.00 N ATOM 1427 CA ASP A 89 2.516 -5.877 9.846 1.00 0.00 C ATOM 1428 C ASP A 89 2.291 -5.076 8.568 1.00 0.00 C ATOM 1429 O ASP A 89 1.603 -4.055 8.576 1.00 0.00 O ATOM 1430 CB ASP A 89 4.007 -5.910 10.187 1.00 0.00 C ATOM 1431 CG ASP A 89 4.259 -6.176 11.658 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.504 -6.971 12.254 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.211 -5.588 12.213 1.00 0.00 O ATOM 0 H ASP A 89 2.680 -7.967 9.898 1.00 0.00 H new ATOM 0 HA ASP A 89 1.977 -5.390 10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.496 -6.682 9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.461 -4.959 9.910 1.00 0.00 H new ATOM 1438 N TRP A 90 2.876 -5.545 7.472 1.00 0.00 N ATOM 1439 CA TRP A 90 2.740 -4.871 6.185 1.00 0.00 C ATOM 1440 C TRP A 90 1.275 -4.594 5.868 1.00 0.00 C ATOM 1441 O TRP A 90 0.875 -3.442 5.698 1.00 0.00 O ATOM 1442 CB TRP A 90 3.364 -5.718 5.074 1.00 0.00 C ATOM 1443 CG TRP A 90 4.851 -5.562 4.973 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.798 -6.475 5.342 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.562 -4.425 4.472 1.00 0.00 C ATOM 1446 NE1 TRP A 90 7.054 -5.974 5.100 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.936 -4.718 4.566 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.171 -3.188 3.952 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.918 -3.818 4.159 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.146 -2.296 3.549 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.507 -2.615 3.653 1.00 0.00 C ATOM 0 H TRP A 90 3.449 -6.389 7.448 1.00 0.00 H new ATOM 0 HA TRP A 90 3.266 -3.918 6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.127 -6.767 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.912 -5.445 4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.590 -7.448 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.932 -6.458 5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.125 -2.934 3.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.967 -4.061 4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.855 -1.337 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.245 -1.897 3.327 1.00 0.00 H new ATOM 1462 N ILE A 91 0.480 -5.655 5.789 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.942 -5.524 5.494 1.00 0.00 C ATOM 1464 C ILE A 91 -1.599 -4.490 6.401 1.00 0.00 C ATOM 1465 O ILE A 91 -2.351 -3.632 5.939 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.676 -6.869 5.651 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.108 -7.902 4.676 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.169 -6.687 5.428 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.535 -9.321 4.982 1.00 0.00 C ATOM 0 H ILE A 91 0.796 -6.615 5.925 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.020 -5.196 4.457 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.522 -7.233 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.423 -7.647 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.020 -7.847 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.674 -7.646 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.563 -5.981 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.343 -6.303 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.095 -9.999 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.196 -9.595 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.622 -9.392 4.935 1.00 0.00 H new ATOM 1481 N SER A 92 -1.308 -4.576 7.696 1.00 0.00 N ATOM 1482 CA SER A 92 -1.873 -3.649 8.669 1.00 0.00 C ATOM 1483 C SER A 92 -1.563 -2.205 8.286 1.00 0.00 C ATOM 1484 O SER A 92 -2.470 -1.392 8.103 1.00 0.00 O ATOM 1485 CB SER A 92 -1.324 -3.947 10.066 1.00 0.00 C ATOM 1486 OG SER A 92 -2.116 -3.330 11.067 1.00 0.00 O ATOM 0 H SER A 92 -0.685 -5.278 8.095 1.00 0.00 H new ATOM 0 HA SER A 92 -2.955 -3.781 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.301 -5.025 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.296 -3.591 10.140 1.00 0.00 H new ATOM 0 HG SER A 92 -1.746 -3.537 11.951 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.277 -1.893 8.168 1.00 0.00 N ATOM 1493 CA ILE A 93 0.153 -0.548 7.806 1.00 0.00 C ATOM 1494 C ILE A 93 -0.670 -0.002 6.644 1.00 0.00 C ATOM 1495 O ILE A 93 -1.197 1.109 6.710 1.00 0.00 O ATOM 1496 CB ILE A 93 1.644 -0.518 7.423 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.503 -1.009 8.590 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.056 0.887 7.009 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.952 -1.237 8.220 1.00 0.00 C ATOM 0 H ILE A 93 0.486 -2.554 8.318 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.001 0.080 8.684 1.00 0.00 H new ATOM 0 HB ILE A 93 1.800 -1.186 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.453 -0.280 9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.084 -1.939 8.973 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.113 0.892 6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.462 1.202 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.888 1.574 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.501 -1.584 9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.013 -1.988 7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.388 -0.303 7.865 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.778 -0.791 5.581 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.540 -0.388 4.403 1.00 0.00 C ATOM 1513 C LEU A 94 -2.972 -0.024 4.779 1.00 0.00 C ATOM 1514 O LEU A 94 -3.408 1.111 4.583 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.542 -1.511 3.365 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.171 -2.042 2.947 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.315 -3.348 2.180 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.570 -1.009 2.111 1.00 0.00 C ATOM 0 H LEU A 94 -0.348 -1.713 5.510 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.062 0.493 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.126 -2.342 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.058 -1.154 2.474 1.00 0.00 H new ATOM 0 HG LEU A 94 0.412 -2.236 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.671 -3.711 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.803 -4.089 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.916 -3.181 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.544 -1.405 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.009 -0.782 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.707 -0.099 2.695 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.700 -0.994 5.323 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.084 -0.776 5.730 1.00 0.00 C ATOM 1532 C LEU A 95 -5.208 0.480 6.586 1.00 0.00 C ATOM 1533 O LEU A 95 -6.051 1.339 6.327 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.606 -1.988 6.503 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.807 -3.267 5.690 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.135 -4.436 6.606 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.905 -3.074 4.655 1.00 0.00 C ATOM 0 H LEU A 95 -3.355 -1.939 5.492 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.685 -0.641 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.911 -2.203 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.558 -1.719 6.961 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.878 -3.492 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.275 -5.338 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.316 -4.589 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.050 -4.220 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.034 -3.994 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.839 -2.824 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.629 -2.265 3.979 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.362 0.581 7.606 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.376 1.734 8.499 1.00 0.00 C ATOM 1551 C ASN A 96 -4.249 3.034 7.712 1.00 0.00 C ATOM 1552 O ASN A 96 -4.961 4.003 7.975 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.240 1.629 9.519 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.457 2.528 10.721 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.467 3.225 10.814 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.507 2.514 11.648 1.00 0.00 N ATOM 0 H ASN A 96 -3.658 -0.121 7.835 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.330 1.742 9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.150 0.595 9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.298 1.892 9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.598 3.097 12.480 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.687 1.920 11.528 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.338 3.048 6.745 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.120 4.228 5.917 1.00 0.00 C ATOM 1565 C ALA A 97 -4.334 4.517 5.042 1.00 0.00 C ATOM 1566 O ALA A 97 -4.789 5.658 4.950 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.878 4.046 5.057 1.00 0.00 C ATOM 0 H ALA A 97 -2.739 2.255 6.515 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.970 5.082 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.727 4.934 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.010 3.896 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.006 3.177 4.412 1.00 0.00 H new ATOM 1573 N LEU A 98 -4.856 3.477 4.400 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.019 3.620 3.531 1.00 0.00 C ATOM 1575 C LEU A 98 -7.106 4.450 4.206 1.00 0.00 C ATOM 1576 O LEU A 98 -7.727 5.308 3.579 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.572 2.244 3.156 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.809 1.487 2.068 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.358 0.077 1.913 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.880 2.238 0.746 1.00 0.00 C ATOM 0 H LEU A 98 -4.492 2.526 4.465 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.703 4.138 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.593 1.626 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.605 2.366 2.829 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.763 1.416 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.803 -0.446 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.254 -0.460 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.411 0.125 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.332 1.685 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.922 2.341 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.438 3.227 0.865 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.328 4.191 5.490 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.337 4.916 6.254 1.00 0.00 C ATOM 1594 C LYS A 99 -8.106 6.422 6.168 1.00 0.00 C ATOM 1595 O LYS A 99 -9.040 7.191 5.944 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.318 4.469 7.717 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.754 3.028 7.918 1.00 0.00 C ATOM 1598 CD LYS A 99 -9.192 2.773 9.351 1.00 0.00 C ATOM 1599 CE LYS A 99 -9.744 1.366 9.523 1.00 0.00 C ATOM 1600 NZ LYS A 99 -11.120 1.238 8.968 1.00 0.00 N ATOM 0 H LYS A 99 -6.823 3.484 6.024 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.313 4.691 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.310 4.594 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.971 5.122 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.575 2.797 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.932 2.359 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.346 2.918 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.952 3.501 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.085 0.654 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.754 1.107 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.467 0.269 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.752 1.911 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.104 1.444 7.949 1.00 0.00 H new ATOM 1614 N SER A 100 -6.855 6.835 6.348 1.00 0.00 N ATOM 1615 CA SER A 100 -6.502 8.249 6.293 1.00 0.00 C ATOM 1616 C SER A 100 -7.012 8.887 5.004 1.00 0.00 C ATOM 1617 O SER A 100 -7.688 9.915 5.034 1.00 0.00 O ATOM 1618 CB SER A 100 -4.986 8.422 6.396 1.00 0.00 C ATOM 1619 OG SER A 100 -4.654 9.664 6.992 1.00 0.00 O ATOM 0 H SER A 100 -6.070 6.211 6.533 1.00 0.00 H new ATOM 0 HA SER A 100 -6.976 8.749 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.563 7.608 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.542 8.361 5.403 1.00 0.00 H new ATOM 0 HG SER A 100 -3.679 9.750 7.048 1.00 0.00 H new