USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 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 38 SER OG : rot -128:sc= 1.5 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0.195 USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= -0.939 (180deg=-2.72!) USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= 0.447 (180deg=0.262) USER MOD Single : A 11 SER OG : rot -6:sc= 0.79 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-1.26) USER MOD Single : A 26 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0125 (180deg=-0.207) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.148) USER MOD Single : A 36 SER OG : rot -150:sc= -1.61! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.136 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0989 X(o=-0.099,f=0.05) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.966 F(o=-2!,f=-0.97) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -95:sc= -0.293 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.087) 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= -0.399 K(o=-0.4,f=-1.5) USER MOD Single : A 92 SER OG : rot 78:sc= 0.427 USER MOD Single : A 96 ASN : amide:sc=-0.00171 X(o=-0.0017,f=-0.42) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 2.809 3.584 11.004 1.00 0.00 N ATOM 67 CA LYS A 8 2.078 3.682 9.746 1.00 0.00 C ATOM 68 C LYS A 8 3.019 3.517 8.557 1.00 0.00 C ATOM 69 O LYS A 8 2.649 3.796 7.416 1.00 0.00 O ATOM 70 CB LYS A 8 1.357 5.029 9.656 1.00 0.00 C ATOM 71 CG LYS A 8 0.087 4.984 8.824 1.00 0.00 C ATOM 72 CD LYS A 8 -1.070 4.384 9.604 1.00 0.00 C ATOM 73 CE LYS A 8 -1.742 5.421 10.491 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.000 5.624 11.766 1.00 0.00 N ATOM 0 HA LYS A 8 1.341 2.879 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.110 5.368 10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.036 5.767 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.174 5.992 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.262 4.397 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.801 3.968 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.708 3.559 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.810 6.368 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.762 5.105 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.677 5.778 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.425 4.782 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.379 6.454 11.678 1.00 0.00 H new ATOM 88 N VAL A 9 4.237 3.060 8.830 1.00 0.00 N ATOM 89 CA VAL A 9 5.230 2.855 7.783 1.00 0.00 C ATOM 90 C VAL A 9 5.940 1.517 7.953 1.00 0.00 C ATOM 91 O VAL A 9 5.811 0.859 8.987 1.00 0.00 O ATOM 92 CB VAL A 9 6.278 3.983 7.774 1.00 0.00 C ATOM 93 CG1 VAL A 9 5.610 5.331 7.550 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.073 3.981 9.071 1.00 0.00 C ATOM 0 H VAL A 9 4.560 2.825 9.769 1.00 0.00 H new ATOM 0 HA VAL A 9 4.694 2.860 6.834 1.00 0.00 H new ATOM 0 HB VAL A 9 6.970 3.807 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.366 6.116 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.090 5.325 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.895 5.520 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.809 4.784 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.397 4.133 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.583 3.024 9.183 1.00 0.00 H new ATOM 104 N LYS A 10 6.692 1.118 6.933 1.00 0.00 N ATOM 105 CA LYS A 10 7.427 -0.141 6.969 1.00 0.00 C ATOM 106 C LYS A 10 8.529 -0.159 5.915 1.00 0.00 C ATOM 107 O LYS A 10 8.468 0.573 4.927 1.00 0.00 O ATOM 108 CB LYS A 10 6.473 -1.318 6.746 1.00 0.00 C ATOM 109 CG LYS A 10 7.054 -2.658 7.161 1.00 0.00 C ATOM 110 CD LYS A 10 7.192 -2.763 8.670 1.00 0.00 C ATOM 111 CE LYS A 10 7.275 -4.213 9.123 1.00 0.00 C ATOM 112 NZ LYS A 10 7.730 -4.328 10.536 1.00 0.00 N ATOM 0 H LYS A 10 6.809 1.649 6.070 1.00 0.00 H new ATOM 0 HA LYS A 10 7.888 -0.236 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.554 -1.141 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.201 -1.360 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.414 -3.462 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.030 -2.792 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.085 -2.228 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.341 -2.279 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.297 -4.683 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.962 -4.757 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.033 -5.305 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.528 -3.681 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.948 -4.078 11.174 1.00 0.00 H new ATOM 126 N SER A 11 9.534 -1.001 6.131 1.00 0.00 N ATOM 127 CA SER A 11 10.651 -1.112 5.200 1.00 0.00 C ATOM 128 C SER A 11 11.349 -2.461 5.347 1.00 0.00 C ATOM 129 O SER A 11 11.842 -2.804 6.420 1.00 0.00 O ATOM 130 CB SER A 11 11.652 0.021 5.434 1.00 0.00 C ATOM 131 OG SER A 11 12.499 -0.266 6.534 1.00 0.00 O ATOM 0 H SER A 11 9.598 -1.616 6.942 1.00 0.00 H new ATOM 0 HA SER A 11 10.256 -1.035 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.253 0.170 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.116 0.952 5.617 1.00 0.00 H new ATOM 0 HG SER A 11 12.200 -1.091 6.970 1.00 0.00 H new ATOM 137 N GLY A 12 11.385 -3.223 4.258 1.00 0.00 N ATOM 138 CA GLY A 12 12.023 -4.526 4.286 1.00 0.00 C ATOM 139 C GLY A 12 12.304 -5.064 2.896 1.00 0.00 C ATOM 140 O GLY A 12 11.829 -4.514 1.903 1.00 0.00 O ATOM 0 H GLY A 12 10.984 -2.961 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.958 -4.457 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.385 -5.228 4.822 1.00 0.00 H new ATOM 144 N TRP A 13 13.077 -6.141 2.826 1.00 0.00 N ATOM 145 CA TRP A 13 13.421 -6.753 1.547 1.00 0.00 C ATOM 146 C TRP A 13 12.311 -7.684 1.073 1.00 0.00 C ATOM 147 O TRP A 13 12.301 -8.871 1.400 1.00 0.00 O ATOM 148 CB TRP A 13 14.736 -7.525 1.665 1.00 0.00 C ATOM 149 CG TRP A 13 15.948 -6.675 1.430 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.718 -6.065 2.379 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.527 -6.340 0.165 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.740 -5.370 1.779 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.646 -5.524 0.421 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.211 -6.652 -1.160 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.447 -5.017 -0.598 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.006 -6.147 -2.171 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.114 -5.337 -1.886 1.00 0.00 C ATOM 0 H TRP A 13 13.478 -6.609 3.639 1.00 0.00 H new ATOM 0 HA TRP A 13 13.540 -5.957 0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.800 -7.969 2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.732 -8.346 0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.548 -6.121 3.444 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.453 -4.827 2.266 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.361 -7.277 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.301 -4.393 -0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.770 -6.380 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.716 -4.958 -2.699 1.00 0.00 H new ATOM 168 N LEU A 14 11.378 -7.139 0.300 1.00 0.00 N ATOM 169 CA LEU A 14 10.263 -7.922 -0.220 1.00 0.00 C ATOM 170 C LEU A 14 10.492 -8.291 -1.683 1.00 0.00 C ATOM 171 O LEU A 14 11.131 -7.549 -2.428 1.00 0.00 O ATOM 172 CB LEU A 14 8.955 -7.141 -0.078 1.00 0.00 C ATOM 173 CG LEU A 14 8.620 -6.643 1.328 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.653 -5.472 1.263 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.040 -7.771 2.169 1.00 0.00 C ATOM 0 H LEU A 14 11.372 -6.158 0.020 1.00 0.00 H new ATOM 0 HA LEU A 14 10.195 -8.842 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.994 -6.281 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.138 -7.775 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 14 9.541 -6.301 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.426 -5.131 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.106 -4.657 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.733 -5.787 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.807 -7.399 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.130 -8.144 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.767 -8.580 2.244 1.00 0.00 H new ATOM 187 N ASP A 15 9.963 -9.441 -2.087 1.00 0.00 N ATOM 188 CA ASP A 15 10.107 -9.908 -3.461 1.00 0.00 C ATOM 189 C ASP A 15 8.972 -9.383 -4.334 1.00 0.00 C ATOM 190 O ASP A 15 7.799 -9.488 -3.976 1.00 0.00 O ATOM 191 CB ASP A 15 10.134 -11.436 -3.503 1.00 0.00 C ATOM 192 CG ASP A 15 11.020 -11.969 -4.612 1.00 0.00 C ATOM 193 OD1 ASP A 15 11.300 -11.210 -5.563 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.431 -13.146 -4.530 1.00 0.00 O ATOM 0 H ASP A 15 9.431 -10.067 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 15 11.050 -9.525 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.488 -11.817 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.120 -11.811 -3.640 1.00 0.00 H new ATOM 199 N LYS A 16 9.329 -8.817 -5.482 1.00 0.00 N ATOM 200 CA LYS A 16 8.342 -8.275 -6.408 1.00 0.00 C ATOM 201 C LYS A 16 7.793 -9.368 -7.319 1.00 0.00 C ATOM 202 O LYS A 16 8.520 -10.277 -7.723 1.00 0.00 O ATOM 203 CB LYS A 16 8.961 -7.157 -7.250 1.00 0.00 C ATOM 204 CG LYS A 16 8.888 -5.789 -6.595 1.00 0.00 C ATOM 205 CD LYS A 16 7.602 -5.065 -6.959 1.00 0.00 C ATOM 206 CE LYS A 16 7.751 -4.283 -8.255 1.00 0.00 C ATOM 207 NZ LYS A 16 7.461 -5.126 -9.447 1.00 0.00 N ATOM 0 H LYS A 16 10.296 -8.722 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 16 7.518 -7.866 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.005 -7.400 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.454 -7.116 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.951 -5.899 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.744 -5.190 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.792 -5.788 -7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.325 -4.386 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.076 -3.427 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.765 -3.889 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.030 -4.540 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.346 -5.540 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.804 -5.888 -9.182 1.00 0.00 H new ATOM 221 N LEU A 17 6.507 -9.273 -7.641 1.00 0.00 N ATOM 222 CA LEU A 17 5.861 -10.254 -8.507 1.00 0.00 C ATOM 223 C LEU A 17 6.319 -10.090 -9.952 1.00 0.00 C ATOM 224 O LEU A 17 5.756 -9.295 -10.706 1.00 0.00 O ATOM 225 CB LEU A 17 4.340 -10.114 -8.422 1.00 0.00 C ATOM 226 CG LEU A 17 3.535 -10.908 -9.452 1.00 0.00 C ATOM 227 CD1 LEU A 17 3.536 -12.388 -9.104 1.00 0.00 C ATOM 228 CD2 LEU A 17 2.111 -10.379 -9.538 1.00 0.00 C ATOM 0 H LEU A 17 5.892 -8.527 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 17 6.148 -11.249 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.022 -10.422 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.086 -9.059 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 17 4.006 -10.785 -10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.958 -12.937 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.561 -12.759 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.089 -12.531 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.553 -10.955 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.629 -10.471 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.130 -9.331 -9.835 1.00 0.00 H new ATOM 372 N GLN A 26 11.523 -11.457 -8.253 1.00 0.00 N ATOM 373 CA GLN A 26 12.615 -10.496 -8.347 1.00 0.00 C ATOM 374 C GLN A 26 12.825 -9.779 -7.017 1.00 0.00 C ATOM 375 O GLN A 26 12.237 -8.727 -6.767 1.00 0.00 O ATOM 376 CB GLN A 26 12.330 -9.475 -9.450 1.00 0.00 C ATOM 377 CG GLN A 26 12.821 -9.909 -10.822 1.00 0.00 C ATOM 378 CD GLN A 26 12.338 -8.995 -11.931 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.407 -8.211 -11.744 1.00 0.00 O ATOM 380 NE2 GLN A 26 12.970 -9.090 -13.095 1.00 0.00 N ATOM 0 HA GLN A 26 13.526 -11.042 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.256 -9.294 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.801 -8.528 -9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.911 -9.931 -10.823 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.481 -10.926 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.737 -9.754 -13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.689 -8.499 -13.878 1.00 0.00 H new ATOM 389 N LYS A 27 13.667 -10.356 -6.167 1.00 0.00 N ATOM 390 CA LYS A 27 13.957 -9.774 -4.862 1.00 0.00 C ATOM 391 C LYS A 27 14.373 -8.313 -4.999 1.00 0.00 C ATOM 392 O LYS A 27 15.293 -7.987 -5.748 1.00 0.00 O ATOM 393 CB LYS A 27 15.062 -10.566 -4.161 1.00 0.00 C ATOM 394 CG LYS A 27 15.246 -10.191 -2.700 1.00 0.00 C ATOM 395 CD LYS A 27 16.166 -11.168 -1.985 1.00 0.00 C ATOM 396 CE LYS A 27 15.466 -12.489 -1.706 1.00 0.00 C ATOM 397 NZ LYS A 27 14.411 -12.349 -0.665 1.00 0.00 N ATOM 0 H LYS A 27 14.161 -11.227 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 27 13.049 -9.821 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.834 -11.630 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.002 -10.408 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.658 -9.184 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.276 -10.173 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.053 -11.346 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.506 -10.730 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.020 -12.865 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.200 -13.227 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.148 -13.290 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.772 -11.770 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.575 -11.889 -1.078 1.00 0.00 H new ATOM 411 N ARG A 28 13.690 -7.437 -4.269 1.00 0.00 N ATOM 412 CA ARG A 28 13.989 -6.010 -4.309 1.00 0.00 C ATOM 413 C ARG A 28 13.620 -5.340 -2.989 1.00 0.00 C ATOM 414 O ARG A 28 12.862 -5.892 -2.192 1.00 0.00 O ATOM 415 CB ARG A 28 13.236 -5.342 -5.461 1.00 0.00 C ATOM 416 CG ARG A 28 14.029 -5.286 -6.756 1.00 0.00 C ATOM 417 CD ARG A 28 13.117 -5.360 -7.971 1.00 0.00 C ATOM 418 NE ARG A 28 12.720 -4.034 -8.438 1.00 0.00 N ATOM 419 CZ ARG A 28 13.451 -3.296 -9.265 1.00 0.00 C ATOM 420 NH1 ARG A 28 14.612 -3.752 -9.715 1.00 0.00 N ATOM 421 NH2 ARG A 28 13.022 -2.099 -9.645 1.00 0.00 N ATOM 0 H ARG A 28 12.926 -7.690 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 28 15.061 -5.893 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.306 -5.882 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.965 -4.328 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.608 -4.363 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.742 -6.110 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.627 -5.890 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.227 -5.938 -7.722 1.00 0.00 H new ATOM 0 HE ARG A 28 11.832 -3.654 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.945 -4.672 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.172 -3.183 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.129 -1.745 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.585 -1.534 -10.280 1.00 0.00 H new ATOM 435 N TRP A 29 14.162 -4.149 -2.765 1.00 0.00 N ATOM 436 CA TRP A 29 13.890 -3.403 -1.541 1.00 0.00 C ATOM 437 C TRP A 29 12.609 -2.588 -1.673 1.00 0.00 C ATOM 438 O TRP A 29 12.297 -2.074 -2.747 1.00 0.00 O ATOM 439 CB TRP A 29 15.065 -2.481 -1.210 1.00 0.00 C ATOM 440 CG TRP A 29 14.706 -1.380 -0.258 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.053 -0.219 -0.557 1.00 0.00 C ATOM 442 CD2 TRP A 29 14.981 -1.338 1.146 1.00 0.00 C ATOM 443 NE1 TRP A 29 13.906 0.543 0.577 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.466 -0.121 1.635 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.610 -2.210 2.039 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.564 0.243 2.976 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.707 -1.847 3.369 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.185 -0.630 3.827 1.00 0.00 C ATOM 0 H TRP A 29 14.792 -3.679 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 29 13.760 -4.119 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.873 -3.074 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.446 -2.044 -2.133 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.703 0.060 -1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.453 1.456 0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.013 -3.151 1.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.164 1.181 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.193 -2.512 4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.275 -0.376 4.873 1.00 0.00 H new ATOM 459 N VAL A 30 11.870 -2.473 -0.575 1.00 0.00 N ATOM 460 CA VAL A 30 10.622 -1.718 -0.568 1.00 0.00 C ATOM 461 C VAL A 30 10.516 -0.842 0.675 1.00 0.00 C ATOM 462 O VAL A 30 10.864 -1.265 1.778 1.00 0.00 O ATOM 463 CB VAL A 30 9.400 -2.653 -0.630 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.110 -1.847 -0.623 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.474 -3.546 -1.859 1.00 0.00 C ATOM 0 H VAL A 30 12.114 -2.893 0.322 1.00 0.00 H new ATOM 0 HA VAL A 30 10.631 -1.085 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 30 9.407 -3.290 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.257 -2.525 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.056 -1.255 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.091 -1.183 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.602 -4.200 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.493 -2.928 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.380 -4.150 -1.816 1.00 0.00 H new ATOM 475 N LYS A 31 10.033 0.382 0.490 1.00 0.00 N ATOM 476 CA LYS A 31 9.879 1.319 1.596 1.00 0.00 C ATOM 477 C LYS A 31 8.548 2.059 1.501 1.00 0.00 C ATOM 478 O LYS A 31 8.210 2.617 0.457 1.00 0.00 O ATOM 479 CB LYS A 31 11.033 2.323 1.606 1.00 0.00 C ATOM 480 CG LYS A 31 10.850 3.452 2.606 1.00 0.00 C ATOM 481 CD LYS A 31 10.932 2.948 4.037 1.00 0.00 C ATOM 482 CE LYS A 31 10.319 3.940 5.014 1.00 0.00 C ATOM 483 NZ LYS A 31 10.898 5.303 4.855 1.00 0.00 N ATOM 0 H LYS A 31 9.741 0.748 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 31 9.893 0.750 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.960 1.796 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.143 2.747 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.614 4.212 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.885 3.931 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.416 1.991 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.974 2.771 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.241 3.983 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.482 3.593 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.584 5.907 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.936 5.242 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.578 5.713 3.954 1.00 0.00 H new ATOM 497 N PHE A 32 7.798 2.061 2.597 1.00 0.00 N ATOM 498 CA PHE A 32 6.504 2.734 2.637 1.00 0.00 C ATOM 499 C PHE A 32 6.537 3.921 3.595 1.00 0.00 C ATOM 500 O PHE A 32 6.917 3.784 4.758 1.00 0.00 O ATOM 501 CB PHE A 32 5.409 1.753 3.060 1.00 0.00 C ATOM 502 CG PHE A 32 4.037 2.365 3.095 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.529 3.020 1.985 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.256 2.284 4.236 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.267 3.584 2.014 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.994 2.846 4.271 1.00 0.00 C ATOM 507 CZ PHE A 32 1.499 3.496 3.158 1.00 0.00 C ATOM 0 H PHE A 32 8.063 1.604 3.470 1.00 0.00 H new ATOM 0 HA PHE A 32 6.284 3.104 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.404 0.908 2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.647 1.358 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.125 3.091 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.638 1.775 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.882 4.093 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.396 2.777 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.513 3.935 3.182 1.00 0.00 H new ATOM 517 N ASP A 33 6.138 5.086 3.097 1.00 0.00 N ATOM 518 CA ASP A 33 6.121 6.298 3.907 1.00 0.00 C ATOM 519 C ASP A 33 4.695 6.808 4.094 1.00 0.00 C ATOM 520 O ASP A 33 4.474 7.998 4.313 1.00 0.00 O ATOM 521 CB ASP A 33 6.982 7.383 3.258 1.00 0.00 C ATOM 522 CG ASP A 33 7.233 8.556 4.186 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.966 8.379 5.181 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.695 9.651 3.918 1.00 0.00 O ATOM 0 H ASP A 33 5.822 5.217 2.136 1.00 0.00 H new ATOM 0 HA ASP A 33 6.532 6.056 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.936 6.952 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.491 7.739 2.352 1.00 0.00 H new ATOM 529 N GLY A 34 3.731 5.897 4.005 1.00 0.00 N ATOM 530 CA GLY A 34 2.338 6.273 4.165 1.00 0.00 C ATOM 531 C GLY A 34 1.721 6.776 2.875 1.00 0.00 C ATOM 532 O GLY A 34 0.617 6.372 2.507 1.00 0.00 O ATOM 0 H GLY A 34 3.889 4.906 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.772 5.413 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.259 7.048 4.928 1.00 0.00 H new ATOM 536 N LEU A 35 2.434 7.661 2.186 1.00 0.00 N ATOM 537 CA LEU A 35 1.949 8.222 0.930 1.00 0.00 C ATOM 538 C LEU A 35 1.889 7.153 -0.157 1.00 0.00 C ATOM 539 O LEU A 35 0.826 6.876 -0.712 1.00 0.00 O ATOM 540 CB LEU A 35 2.851 9.372 0.480 1.00 0.00 C ATOM 541 CG LEU A 35 2.634 10.711 1.186 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.877 11.580 1.078 1.00 0.00 C ATOM 543 CD2 LEU A 35 1.426 11.431 0.604 1.00 0.00 C ATOM 0 H LEU A 35 3.349 8.005 2.476 1.00 0.00 H new ATOM 0 HA LEU A 35 0.941 8.602 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.889 9.072 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.709 9.521 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 35 2.443 10.516 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.703 12.528 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.720 11.069 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.100 11.767 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.287 12.382 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.588 11.613 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.537 10.814 0.735 1.00 0.00 H new ATOM 555 N SER A 36 3.038 6.553 -0.453 1.00 0.00 N ATOM 556 CA SER A 36 3.117 5.515 -1.474 1.00 0.00 C ATOM 557 C SER A 36 4.227 4.519 -1.151 1.00 0.00 C ATOM 558 O SER A 36 5.022 4.734 -0.236 1.00 0.00 O ATOM 559 CB SER A 36 3.361 6.140 -2.849 1.00 0.00 C ATOM 560 OG SER A 36 4.478 7.012 -2.822 1.00 0.00 O ATOM 0 H SER A 36 3.926 6.768 -0.000 1.00 0.00 H new ATOM 0 HA SER A 36 2.167 4.981 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.527 5.353 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.474 6.690 -3.165 1.00 0.00 H new ATOM 0 HG SER A 36 4.353 7.725 -3.483 1.00 0.00 H new ATOM 566 N ILE A 37 4.274 3.429 -1.910 1.00 0.00 N ATOM 567 CA ILE A 37 5.286 2.400 -1.706 1.00 0.00 C ATOM 568 C ILE A 37 6.368 2.473 -2.778 1.00 0.00 C ATOM 569 O ILE A 37 6.162 2.044 -3.913 1.00 0.00 O ATOM 570 CB ILE A 37 4.665 0.990 -1.714 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.561 0.889 -0.659 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.737 -0.061 -1.469 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.465 -0.087 -1.024 1.00 0.00 C ATOM 0 H ILE A 37 3.623 3.236 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 37 5.733 2.586 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 37 4.223 0.809 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.003 0.588 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.123 1.875 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.283 -1.052 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.492 -0.001 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.205 0.116 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.717 -0.107 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.996 0.225 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.891 -1.083 -1.147 1.00 0.00 H new ATOM 585 N SER A 38 7.523 3.018 -2.409 1.00 0.00 N ATOM 586 CA SER A 38 8.638 3.150 -3.339 1.00 0.00 C ATOM 587 C SER A 38 9.655 2.032 -3.130 1.00 0.00 C ATOM 588 O SER A 38 10.238 1.901 -2.054 1.00 0.00 O ATOM 589 CB SER A 38 9.316 4.510 -3.166 1.00 0.00 C ATOM 590 OG SER A 38 9.953 4.918 -4.365 1.00 0.00 O ATOM 0 H SER A 38 7.711 3.375 -1.472 1.00 0.00 H new ATOM 0 HA SER A 38 8.244 3.075 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.576 5.254 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.049 4.455 -2.361 1.00 0.00 H new ATOM 0 HG SER A 38 10.883 5.162 -4.175 1.00 0.00 H new ATOM 596 N TYR A 39 9.861 1.227 -4.167 1.00 0.00 N ATOM 597 CA TYR A 39 10.805 0.118 -4.097 1.00 0.00 C ATOM 598 C TYR A 39 11.989 0.351 -5.030 1.00 0.00 C ATOM 599 O TYR A 39 11.816 0.722 -6.191 1.00 0.00 O ATOM 600 CB TYR A 39 10.108 -1.195 -4.458 1.00 0.00 C ATOM 601 CG TYR A 39 9.546 -1.217 -5.861 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.292 -0.685 -6.136 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.267 -1.769 -6.912 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.773 -0.703 -7.417 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.758 -1.790 -8.196 1.00 0.00 C ATOM 606 CZ TYR A 39 8.510 -1.257 -8.443 1.00 0.00 C ATOM 607 OH TYR A 39 7.998 -1.277 -9.720 1.00 0.00 O ATOM 0 H TYR A 39 9.387 1.322 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 39 11.178 0.055 -3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.817 -2.015 -4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.300 -1.374 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.713 -0.250 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.243 -2.189 -6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.796 -0.286 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.334 -2.221 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 39 8.643 -1.701 -10.324 1.00 0.00 H new ATOM 617 N TYR A 40 13.193 0.130 -4.514 1.00 0.00 N ATOM 618 CA TYR A 40 14.407 0.317 -5.298 1.00 0.00 C ATOM 619 C TYR A 40 15.227 -0.968 -5.349 1.00 0.00 C ATOM 620 O TYR A 40 14.943 -1.927 -4.632 1.00 0.00 O ATOM 621 CB TYR A 40 15.250 1.450 -4.709 1.00 0.00 C ATOM 622 CG TYR A 40 14.429 2.597 -4.166 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.580 3.323 -4.994 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.501 2.956 -2.826 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.828 4.372 -4.502 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.752 4.003 -2.326 1.00 0.00 C ATOM 627 CZ TYR A 40 12.917 4.708 -3.168 1.00 0.00 C ATOM 628 OH TYR A 40 12.170 5.753 -2.673 1.00 0.00 O ATOM 0 H TYR A 40 13.354 -0.179 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 40 14.115 0.580 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.873 1.050 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.923 1.828 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.507 3.062 -6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.154 2.407 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.174 4.926 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.820 4.268 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 40 12.348 5.858 -1.715 1.00 0.00 H new ATOM 789 N GLY A 50 9.173 3.162 -10.515 1.00 0.00 N ATOM 790 CA GLY A 50 8.835 2.014 -9.694 1.00 0.00 C ATOM 791 C GLY A 50 8.229 2.411 -8.363 1.00 0.00 C ATOM 792 O GLY A 50 8.841 2.216 -7.312 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.133 1.379 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.732 1.420 -9.519 1.00 0.00 H new ATOM 796 N ILE A 51 7.025 2.971 -8.407 1.00 0.00 N ATOM 797 CA ILE A 51 6.337 3.397 -7.194 1.00 0.00 C ATOM 798 C ILE A 51 4.844 3.095 -7.274 1.00 0.00 C ATOM 799 O ILE A 51 4.227 3.242 -8.330 1.00 0.00 O ATOM 800 CB ILE A 51 6.532 4.903 -6.936 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.059 5.266 -5.527 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.784 5.720 -7.979 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.603 6.586 -5.028 1.00 0.00 C ATOM 0 H ILE A 51 6.506 3.140 -9.269 1.00 0.00 H new ATOM 0 HA ILE A 51 6.775 2.836 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 51 7.594 5.136 -7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.970 5.304 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.357 4.476 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.931 6.782 -7.783 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.163 5.478 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.720 5.486 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.226 6.778 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.692 6.546 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.283 7.387 -5.695 1.00 0.00 H new ATOM 815 N ILE A 52 4.270 2.675 -6.152 1.00 0.00 N ATOM 816 CA ILE A 52 2.849 2.356 -6.095 1.00 0.00 C ATOM 817 C ILE A 52 2.095 3.359 -5.228 1.00 0.00 C ATOM 818 O ILE A 52 2.267 3.418 -4.011 1.00 0.00 O ATOM 819 CB ILE A 52 2.613 0.938 -5.543 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.312 -0.099 -6.424 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.122 0.646 -5.453 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.476 -1.447 -5.757 1.00 0.00 C ATOM 0 H ILE A 52 4.767 2.548 -5.270 1.00 0.00 H new ATOM 0 HA ILE A 52 2.472 2.407 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 52 3.036 0.879 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.742 -0.225 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.294 0.279 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.971 -0.360 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.649 1.369 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.676 0.720 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.979 -2.132 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.072 -1.335 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.495 -1.847 -5.499 1.00 0.00 H new ATOM 834 N PRO A 53 1.236 4.166 -5.869 1.00 0.00 N ATOM 835 CA PRO A 53 0.436 5.180 -5.176 1.00 0.00 C ATOM 836 C PRO A 53 -0.647 4.563 -4.297 1.00 0.00 C ATOM 837 O PRO A 53 -1.536 3.866 -4.788 1.00 0.00 O ATOM 838 CB PRO A 53 -0.194 5.978 -6.320 1.00 0.00 C ATOM 839 CG PRO A 53 -0.231 5.029 -7.468 1.00 0.00 C ATOM 840 CD PRO A 53 0.980 4.151 -7.319 1.00 0.00 C ATOM 0 HA PRO A 53 1.041 5.784 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.195 6.322 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.396 6.863 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.146 4.437 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.211 5.564 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.791 3.141 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.829 4.539 -7.881 1.00 0.00 H new ATOM 848 N LEU A 54 -0.567 4.823 -2.997 1.00 0.00 N ATOM 849 CA LEU A 54 -1.541 4.294 -2.049 1.00 0.00 C ATOM 850 C LEU A 54 -2.942 4.292 -2.653 1.00 0.00 C ATOM 851 O LEU A 54 -3.690 3.325 -2.507 1.00 0.00 O ATOM 852 CB LEU A 54 -1.529 5.118 -0.761 1.00 0.00 C ATOM 853 CG LEU A 54 -2.652 4.824 0.235 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.235 3.725 1.199 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.035 6.086 0.994 1.00 0.00 C ATOM 0 H LEU A 54 0.163 5.397 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.264 3.266 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.575 4.957 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.575 6.174 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.524 4.480 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.046 3.529 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.011 2.816 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.348 4.040 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.835 5.858 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.168 6.460 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.376 6.845 0.290 1.00 0.00 H new ATOM 867 N SER A 55 -3.290 5.380 -3.332 1.00 0.00 N ATOM 868 CA SER A 55 -4.602 5.505 -3.957 1.00 0.00 C ATOM 869 C SER A 55 -4.962 4.235 -4.721 1.00 0.00 C ATOM 870 O SER A 55 -6.067 3.710 -4.588 1.00 0.00 O ATOM 871 CB SER A 55 -4.628 6.707 -4.902 1.00 0.00 C ATOM 872 OG SER A 55 -3.648 6.578 -5.918 1.00 0.00 O ATOM 0 H SER A 55 -2.682 6.188 -3.464 1.00 0.00 H new ATOM 0 HA SER A 55 -5.340 5.656 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.616 6.797 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.452 7.622 -4.337 1.00 0.00 H new ATOM 0 HG SER A 55 -3.686 7.358 -6.510 1.00 0.00 H new ATOM 878 N ALA A 56 -4.021 3.746 -5.522 1.00 0.00 N ATOM 879 CA ALA A 56 -4.238 2.537 -6.307 1.00 0.00 C ATOM 880 C ALA A 56 -4.710 1.387 -5.424 1.00 0.00 C ATOM 881 O ALA A 56 -5.700 0.723 -5.731 1.00 0.00 O ATOM 882 CB ALA A 56 -2.963 2.150 -7.043 1.00 0.00 C ATOM 0 H ALA A 56 -3.101 4.169 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.019 2.744 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.139 1.246 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.668 2.960 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.167 1.967 -6.321 1.00 0.00 H new ATOM 888 N ILE A 57 -3.996 1.157 -4.327 1.00 0.00 N ATOM 889 CA ILE A 57 -4.344 0.087 -3.400 1.00 0.00 C ATOM 890 C ILE A 57 -5.803 0.187 -2.968 1.00 0.00 C ATOM 891 O ILE A 57 -6.252 1.232 -2.499 1.00 0.00 O ATOM 892 CB ILE A 57 -3.447 0.113 -2.148 1.00 0.00 C ATOM 893 CG1 ILE A 57 -1.977 -0.040 -2.545 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.857 -0.986 -1.180 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.012 0.377 -1.457 1.00 0.00 C ATOM 0 H ILE A 57 -3.173 1.697 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.188 -0.853 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.571 1.074 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.787 -1.080 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.786 0.556 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.214 -0.955 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.893 -0.836 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.758 -1.956 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.011 0.242 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.175 1.426 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.176 -0.236 -0.571 1.00 0.00 H new ATOM 907 N SER A 58 -6.538 -0.909 -3.128 1.00 0.00 N ATOM 908 CA SER A 58 -7.948 -0.945 -2.757 1.00 0.00 C ATOM 909 C SER A 58 -8.159 -1.799 -1.510 1.00 0.00 C ATOM 910 O SER A 58 -8.826 -1.382 -0.562 1.00 0.00 O ATOM 911 CB SER A 58 -8.788 -1.493 -3.912 1.00 0.00 C ATOM 912 OG SER A 58 -10.154 -1.150 -3.757 1.00 0.00 O ATOM 0 H SER A 58 -6.181 -1.784 -3.512 1.00 0.00 H new ATOM 0 HA SER A 58 -8.267 0.074 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.415 -1.097 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.685 -2.577 -3.958 1.00 0.00 H new ATOM 0 HG SER A 58 -10.669 -1.510 -4.509 1.00 0.00 H new ATOM 918 N THR A 59 -7.586 -2.998 -1.517 1.00 0.00 N ATOM 919 CA THR A 59 -7.711 -3.913 -0.389 1.00 0.00 C ATOM 920 C THR A 59 -6.536 -4.882 -0.334 1.00 0.00 C ATOM 921 O THR A 59 -6.015 -5.302 -1.368 1.00 0.00 O ATOM 922 CB THR A 59 -9.023 -4.717 -0.462 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.210 -5.458 0.749 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.009 -5.669 -1.648 1.00 0.00 C ATOM 0 H THR A 59 -7.030 -3.359 -2.292 1.00 0.00 H new ATOM 0 HA THR A 59 -7.717 -3.303 0.514 1.00 0.00 H new ATOM 0 HB THR A 59 -9.847 -4.015 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.047 -5.965 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.946 -6.226 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.895 -5.100 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.176 -6.365 -1.546 1.00 0.00 H new ATOM 932 N VAL A 60 -6.123 -5.235 0.879 1.00 0.00 N ATOM 933 CA VAL A 60 -5.009 -6.157 1.069 1.00 0.00 C ATOM 934 C VAL A 60 -5.467 -7.435 1.762 1.00 0.00 C ATOM 935 O VAL A 60 -6.226 -7.391 2.731 1.00 0.00 O ATOM 936 CB VAL A 60 -3.882 -5.512 1.897 1.00 0.00 C ATOM 937 CG1 VAL A 60 -2.693 -6.456 2.007 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.464 -4.184 1.284 1.00 0.00 C ATOM 0 H VAL A 60 -6.543 -4.897 1.745 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.627 -6.401 0.078 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.257 -5.320 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.906 -5.983 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.006 -7.380 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.314 -6.682 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.667 -3.742 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.106 -4.349 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.319 -3.508 1.263 1.00 0.00 H new ATOM 948 N ARG A 61 -5.000 -8.574 1.261 1.00 0.00 N ATOM 949 CA ARG A 61 -5.361 -9.866 1.831 1.00 0.00 C ATOM 950 C ARG A 61 -4.180 -10.830 1.787 1.00 0.00 C ATOM 951 O ARG A 61 -3.189 -10.583 1.099 1.00 0.00 O ATOM 952 CB ARG A 61 -6.551 -10.465 1.078 1.00 0.00 C ATOM 953 CG ARG A 61 -6.288 -10.679 -0.403 1.00 0.00 C ATOM 954 CD ARG A 61 -7.555 -11.084 -1.141 1.00 0.00 C ATOM 955 NE ARG A 61 -7.957 -12.453 -0.828 1.00 0.00 N ATOM 956 CZ ARG A 61 -8.792 -13.163 -1.577 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.310 -12.638 -2.679 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.110 -14.403 -1.226 1.00 0.00 N ATOM 0 H ARG A 61 -4.370 -8.628 0.461 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.640 -9.709 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.815 -11.420 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.412 -9.807 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.889 -9.763 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.529 -11.450 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.362 -10.400 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.395 -10.990 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.575 -12.887 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.067 -11.686 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.951 -13.186 -3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.713 -14.811 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.752 -14.947 -1.802 1.00 0.00 H new ATOM 972 N VAL A 62 -4.291 -11.929 2.526 1.00 0.00 N ATOM 973 CA VAL A 62 -3.232 -12.931 2.570 1.00 0.00 C ATOM 974 C VAL A 62 -3.438 -13.996 1.499 1.00 0.00 C ATOM 975 O VAL A 62 -4.558 -14.453 1.273 1.00 0.00 O ATOM 976 CB VAL A 62 -3.163 -13.613 3.950 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.720 -12.620 5.014 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.507 -14.227 4.309 1.00 0.00 C ATOM 0 H VAL A 62 -5.103 -12.148 3.102 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.294 -12.409 2.383 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.425 -14.414 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.677 -13.119 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.733 -12.232 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.432 -11.796 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.439 -14.704 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.267 -13.447 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.779 -14.971 3.560 1.00 0.00 H new ATOM 988 N GLN A 63 -2.350 -14.386 0.844 1.00 0.00 N ATOM 989 CA GLN A 63 -2.411 -15.398 -0.204 1.00 0.00 C ATOM 990 C GLN A 63 -1.093 -16.158 -0.306 1.00 0.00 C ATOM 991 O GLN A 63 -0.023 -15.556 -0.388 1.00 0.00 O ATOM 992 CB GLN A 63 -2.745 -14.750 -1.549 1.00 0.00 C ATOM 993 CG GLN A 63 -3.237 -15.738 -2.595 1.00 0.00 C ATOM 994 CD GLN A 63 -3.277 -15.141 -3.988 1.00 0.00 C ATOM 995 OE1 GLN A 63 -4.326 -15.109 -4.632 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.132 -14.663 -4.460 1.00 0.00 N ATOM 0 H GLN A 63 -1.416 -14.017 1.020 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.198 -16.106 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.507 -13.986 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.858 -14.243 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.587 -16.613 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.235 -16.083 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.287 -14.710 -3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.098 -14.248 -5.391 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.178 -17.485 -0.299 1.00 0.00 N ATOM 1006 CA GLY A 64 0.016 -18.305 -0.391 1.00 0.00 C ATOM 1007 C GLY A 64 0.754 -18.404 0.930 1.00 0.00 C ATOM 1008 O GLY A 64 0.300 -17.872 1.943 1.00 0.00 O ATOM 0 H GLY A 64 -2.052 -18.006 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.259 -19.305 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.683 -17.888 -1.146 1.00 0.00 H new ATOM 1012 N ASP A 65 1.893 -19.087 0.919 1.00 0.00 N ATOM 1013 CA ASP A 65 2.695 -19.255 2.125 1.00 0.00 C ATOM 1014 C ASP A 65 3.477 -17.983 2.439 1.00 0.00 C ATOM 1015 O ASP A 65 4.317 -17.549 1.652 1.00 0.00 O ATOM 1016 CB ASP A 65 3.657 -20.433 1.964 1.00 0.00 C ATOM 1017 CG ASP A 65 4.693 -20.491 3.070 1.00 0.00 C ATOM 1018 OD1 ASP A 65 4.340 -20.914 4.190 1.00 0.00 O ATOM 1019 OD2 ASP A 65 5.855 -20.111 2.815 1.00 0.00 O ATOM 0 H ASP A 65 2.282 -19.533 0.088 1.00 0.00 H new ATOM 0 HA ASP A 65 2.019 -19.459 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.089 -21.363 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.162 -20.357 1.001 1.00 0.00 H new ATOM 1024 N ASN A 66 3.193 -17.390 3.594 1.00 0.00 N ATOM 1025 CA ASN A 66 3.869 -16.166 4.011 1.00 0.00 C ATOM 1026 C ASN A 66 3.856 -15.129 2.892 1.00 0.00 C ATOM 1027 O ASN A 66 4.868 -14.487 2.614 1.00 0.00 O ATOM 1028 CB ASN A 66 5.311 -16.470 4.423 1.00 0.00 C ATOM 1029 CG ASN A 66 5.410 -17.683 5.328 1.00 0.00 C ATOM 1030 OD1 ASN A 66 6.145 -18.695 4.881 1.00 0.00 O flip ATOM 1031 ND2 ASN A 66 4.833 -17.709 6.415 1.00 0.00 N flip ATOM 0 H ASN A 66 2.500 -17.736 4.258 1.00 0.00 H new ATOM 0 HA ASN A 66 3.332 -15.758 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.914 -16.636 3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.730 -15.603 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.279 -16.908 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.909 -18.532 7.013 1.00 0.00 H new ATOM 1038 N LYS A 67 2.701 -14.970 2.254 1.00 0.00 N ATOM 1039 CA LYS A 67 2.553 -14.010 1.166 1.00 0.00 C ATOM 1040 C LYS A 67 1.190 -13.328 1.224 1.00 0.00 C ATOM 1041 O LYS A 67 0.280 -13.794 1.910 1.00 0.00 O ATOM 1042 CB LYS A 67 2.730 -14.708 -0.185 1.00 0.00 C ATOM 1043 CG LYS A 67 4.178 -15.002 -0.533 1.00 0.00 C ATOM 1044 CD LYS A 67 4.344 -15.318 -2.010 1.00 0.00 C ATOM 1045 CE LYS A 67 5.510 -16.265 -2.250 1.00 0.00 C ATOM 1046 NZ LYS A 67 5.116 -17.688 -2.060 1.00 0.00 N ATOM 0 H LYS A 67 1.853 -15.494 2.472 1.00 0.00 H new ATOM 0 HA LYS A 67 3.325 -13.249 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.170 -15.643 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.297 -14.084 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.797 -14.144 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.532 -15.844 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.426 -15.765 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.504 -14.394 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.889 -16.125 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.324 -16.019 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.938 -18.302 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.778 -17.828 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.357 -17.930 -2.728 1.00 0.00 H new ATOM 1060 N PHE A 68 1.056 -12.223 0.499 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.197 -11.477 0.468 1.00 0.00 C ATOM 1062 C PHE A 68 -0.437 -10.874 -0.913 1.00 0.00 C ATOM 1063 O PHE A 68 0.501 -10.672 -1.685 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.183 -10.370 1.524 1.00 0.00 C ATOM 1065 CG PHE A 68 1.024 -9.480 1.443 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.274 -9.949 1.815 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.909 -8.173 0.996 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.387 -9.132 1.741 1.00 0.00 C ATOM 1069 CE2 PHE A 68 2.018 -7.352 0.920 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.258 -7.832 1.294 1.00 0.00 C ATOM 0 H PHE A 68 1.799 -11.824 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.009 -12.170 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.081 -9.762 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.225 -10.823 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.380 -10.965 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.058 -7.792 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.356 -9.510 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.915 -6.336 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.126 -7.191 1.237 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.699 -10.590 -1.217 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.062 -10.011 -2.506 1.00 0.00 C ATOM 1082 C GLU A 69 -2.480 -8.552 -2.349 1.00 0.00 C ATOM 1083 O GLU A 69 -3.425 -8.240 -1.624 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.197 -10.812 -3.147 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.218 -10.730 -4.664 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.359 -11.520 -5.276 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.529 -11.172 -5.012 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.082 -12.486 -6.018 1.00 0.00 O ATOM 0 H GLU A 69 -2.487 -10.751 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.186 -10.052 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.107 -11.857 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.149 -10.451 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.301 -9.686 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.272 -11.102 -5.057 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.769 -7.662 -3.033 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.065 -6.236 -2.971 1.00 0.00 C ATOM 1097 C VAL A 70 -2.953 -5.808 -4.134 1.00 0.00 C ATOM 1098 O VAL A 70 -2.477 -5.610 -5.253 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.776 -5.394 -2.987 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.107 -3.911 -3.068 1.00 0.00 C ATOM 1101 CG2 VAL A 70 0.071 -5.693 -1.759 1.00 0.00 C ATOM 0 H VAL A 70 -0.983 -7.904 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.592 -6.063 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.199 -5.662 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.183 -3.332 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.669 -3.713 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.706 -3.624 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.978 -5.089 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.496 -5.455 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.339 -6.750 -1.750 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.247 -5.666 -3.863 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.202 -5.260 -4.887 1.00 0.00 C ATOM 1113 C VAL A 71 -5.013 -3.795 -5.265 1.00 0.00 C ATOM 1114 O VAL A 71 -4.669 -2.964 -4.424 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.653 -5.474 -4.417 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.633 -5.065 -5.506 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.872 -6.922 -4.008 1.00 0.00 C ATOM 0 H VAL A 71 -4.658 -5.826 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.014 -5.885 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.831 -4.843 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.653 -5.223 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.491 -4.011 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.458 -5.667 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.902 -7.055 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.676 -7.574 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.195 -7.176 -3.193 1.00 0.00 H new ATOM 1127 N THR A 72 -5.239 -3.484 -6.538 1.00 0.00 N ATOM 1128 CA THR A 72 -5.093 -2.120 -7.029 1.00 0.00 C ATOM 1129 C THR A 72 -6.004 -1.865 -8.224 1.00 0.00 C ATOM 1130 O THR A 72 -6.662 -2.779 -8.723 1.00 0.00 O ATOM 1131 CB THR A 72 -3.637 -1.822 -7.435 1.00 0.00 C ATOM 1132 OG1 THR A 72 -3.199 -2.767 -8.416 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.717 -1.875 -6.225 1.00 0.00 C ATOM 0 H THR A 72 -5.524 -4.159 -7.247 1.00 0.00 H new ATOM 0 HA THR A 72 -5.377 -1.458 -6.211 1.00 0.00 H new ATOM 0 HB THR A 72 -3.599 -0.818 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.725 -3.502 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.694 -1.661 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.036 -1.133 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.760 -2.868 -5.778 1.00 0.00 H new ATOM 1141 N THR A 73 -6.039 -0.617 -8.680 1.00 0.00 N ATOM 1142 CA THR A 73 -6.870 -0.241 -9.817 1.00 0.00 C ATOM 1143 C THR A 73 -6.248 -0.703 -11.129 1.00 0.00 C ATOM 1144 O THR A 73 -6.936 -1.241 -11.997 1.00 0.00 O ATOM 1145 CB THR A 73 -7.089 1.282 -9.874 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.494 1.768 -8.589 1.00 0.00 O ATOM 1147 CG2 THR A 73 -8.144 1.639 -10.911 1.00 0.00 C ATOM 0 H THR A 73 -5.501 0.151 -8.279 1.00 0.00 H new ATOM 0 HA THR A 73 -7.833 -0.734 -9.681 1.00 0.00 H new ATOM 0 HB THR A 73 -6.147 1.751 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.629 2.738 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.281 2.720 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.820 1.294 -11.893 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.087 1.159 -10.651 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.943 -0.491 -11.267 1.00 0.00 N ATOM 1156 CA GLN A 74 -4.229 -0.887 -12.475 1.00 0.00 C ATOM 1157 C GLN A 74 -4.246 -2.402 -12.647 1.00 0.00 C ATOM 1158 O GLN A 74 -4.735 -2.917 -13.653 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.785 -0.384 -12.427 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.670 1.130 -12.340 1.00 0.00 C ATOM 1161 CD GLN A 74 -3.260 1.830 -13.548 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -2.627 1.916 -14.601 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -4.479 2.336 -13.403 1.00 0.00 N ATOM 0 H GLN A 74 -4.359 -0.048 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.736 -0.438 -13.329 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.283 -0.828 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.259 -0.729 -13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.177 1.478 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.620 1.406 -12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.968 2.242 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.927 2.819 -14.182 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.710 -3.111 -11.659 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.663 -4.567 -11.701 1.00 0.00 C ATOM 1174 C ARG A 75 -3.170 -5.134 -10.373 1.00 0.00 C ATOM 1175 O ARG A 75 -2.155 -4.692 -9.834 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.752 -5.036 -12.837 1.00 0.00 C ATOM 1177 CG ARG A 75 -1.276 -4.783 -12.578 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.408 -5.383 -13.673 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.450 -4.593 -14.900 1.00 0.00 N ATOM 1180 CZ ARG A 75 0.192 -4.929 -16.014 1.00 0.00 C ATOM 1181 NH1 ARG A 75 0.921 -6.036 -16.054 1.00 0.00 N ATOM 1182 NH2 ARG A 75 0.105 -4.159 -17.090 1.00 0.00 N ATOM 0 H ARG A 75 -3.302 -2.700 -10.819 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.674 -4.933 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.906 -6.103 -12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.043 -4.529 -13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.095 -3.710 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.996 -5.210 -11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.622 -5.453 -13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.742 -6.399 -13.884 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.003 -3.736 -14.902 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.990 -6.631 -15.229 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.413 -6.292 -16.910 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.455 -3.307 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.598 -4.419 -17.944 1.00 0.00 H new ATOM 1196 N THR A 76 -3.897 -6.117 -9.849 1.00 0.00 N ATOM 1197 CA THR A 76 -3.535 -6.743 -8.584 1.00 0.00 C ATOM 1198 C THR A 76 -2.077 -7.185 -8.586 1.00 0.00 C ATOM 1199 O THR A 76 -1.599 -7.781 -9.552 1.00 0.00 O ATOM 1200 CB THR A 76 -4.429 -7.962 -8.285 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.808 -7.582 -8.335 1.00 0.00 O ATOM 1202 CG2 THR A 76 -4.107 -8.546 -6.918 1.00 0.00 C ATOM 0 H THR A 76 -4.739 -6.496 -10.282 1.00 0.00 H new ATOM 0 HA THR A 76 -3.683 -5.993 -7.807 1.00 0.00 H new ATOM 0 HB THR A 76 -4.235 -8.722 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.369 -8.363 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.750 -9.405 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.064 -8.861 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.276 -7.790 -6.151 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.372 -6.890 -7.498 1.00 0.00 N ATOM 1211 CA PHE A 77 0.034 -7.257 -7.375 1.00 0.00 C ATOM 1212 C PHE A 77 0.231 -8.290 -6.269 1.00 0.00 C ATOM 1213 O PHE A 77 -0.714 -8.658 -5.572 1.00 0.00 O ATOM 1214 CB PHE A 77 0.883 -6.017 -7.088 1.00 0.00 C ATOM 1215 CG PHE A 77 1.017 -5.096 -8.267 1.00 0.00 C ATOM 1216 CD1 PHE A 77 0.091 -4.088 -8.483 1.00 0.00 C ATOM 1217 CD2 PHE A 77 2.068 -5.238 -9.158 1.00 0.00 C ATOM 1218 CE1 PHE A 77 0.211 -3.238 -9.567 1.00 0.00 C ATOM 1219 CE2 PHE A 77 2.193 -4.391 -10.243 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.263 -3.391 -10.448 1.00 0.00 C ATOM 0 H PHE A 77 -1.752 -6.398 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 77 0.354 -7.697 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.441 -5.468 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.876 -6.333 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.734 -3.965 -7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.798 -6.019 -9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.517 -2.456 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.018 -4.511 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.358 -2.729 -11.296 1.00 0.00 H new ATOM 1230 N VAL A 78 1.467 -8.754 -6.115 1.00 0.00 N ATOM 1231 CA VAL A 78 1.791 -9.744 -5.095 1.00 0.00 C ATOM 1232 C VAL A 78 3.168 -9.485 -4.494 1.00 0.00 C ATOM 1233 O VAL A 78 4.106 -9.116 -5.201 1.00 0.00 O ATOM 1234 CB VAL A 78 1.754 -11.173 -5.668 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.119 -12.188 -4.595 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.384 -11.476 -6.256 1.00 0.00 C ATOM 0 H VAL A 78 2.261 -8.460 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 78 1.035 -9.653 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 78 2.491 -11.244 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.088 -13.192 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.123 -11.981 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.408 -12.119 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.376 -12.490 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.374 -11.387 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.167 -10.768 -7.056 1.00 0.00 H new ATOM 1246 N PHE A 79 3.282 -9.680 -3.185 1.00 0.00 N ATOM 1247 CA PHE A 79 4.545 -9.467 -2.487 1.00 0.00 C ATOM 1248 C PHE A 79 4.831 -10.610 -1.519 1.00 0.00 C ATOM 1249 O PHE A 79 3.913 -11.271 -1.032 1.00 0.00 O ATOM 1250 CB PHE A 79 4.516 -8.137 -1.731 1.00 0.00 C ATOM 1251 CG PHE A 79 4.781 -6.945 -2.604 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.980 -6.823 -3.288 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.832 -5.944 -2.740 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.227 -5.727 -4.093 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.073 -4.846 -3.544 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.273 -4.737 -4.220 1.00 0.00 C ATOM 0 H PHE A 79 2.515 -9.985 -2.586 1.00 0.00 H new ATOM 0 HA PHE A 79 5.342 -9.437 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.542 -8.020 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.259 -8.165 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.730 -7.594 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.893 -6.023 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.165 -5.645 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.324 -4.074 -3.644 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.465 -3.879 -4.847 1.00 0.00 H new ATOM 1266 N ARG A 80 6.111 -10.839 -1.244 1.00 0.00 N ATOM 1267 CA ARG A 80 6.519 -11.903 -0.335 1.00 0.00 C ATOM 1268 C ARG A 80 7.394 -11.353 0.788 1.00 0.00 C ATOM 1269 O ARG A 80 8.278 -10.529 0.555 1.00 0.00 O ATOM 1270 CB ARG A 80 7.276 -12.992 -1.098 1.00 0.00 C ATOM 1271 CG ARG A 80 7.818 -14.096 -0.205 1.00 0.00 C ATOM 1272 CD ARG A 80 8.993 -14.811 -0.855 1.00 0.00 C ATOM 1273 NE ARG A 80 9.331 -16.051 -0.160 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.464 -16.716 -0.354 1.00 0.00 C ATOM 1275 NH1 ARG A 80 11.364 -16.263 -1.216 1.00 0.00 N ATOM 1276 NH2 ARG A 80 10.700 -17.837 0.316 1.00 0.00 N ATOM 0 H ARG A 80 6.883 -10.302 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 80 5.620 -12.335 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.612 -13.431 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.104 -12.535 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.131 -13.673 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.026 -14.814 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.753 -15.032 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.860 -14.151 -0.862 1.00 0.00 H new ATOM 0 HE ARG A 80 8.660 -16.426 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.187 -15.401 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.233 -16.776 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.011 -18.189 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.571 -18.347 0.166 1.00 0.00 H new ATOM 1290 N VAL A 81 7.140 -11.815 2.009 1.00 0.00 N ATOM 1291 CA VAL A 81 7.903 -11.370 3.169 1.00 0.00 C ATOM 1292 C VAL A 81 8.920 -12.424 3.594 1.00 0.00 C ATOM 1293 O VAL A 81 8.986 -13.506 3.012 1.00 0.00 O ATOM 1294 CB VAL A 81 6.980 -11.052 4.360 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.094 -9.857 4.045 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.141 -12.268 4.722 1.00 0.00 C ATOM 0 H VAL A 81 6.412 -12.497 2.220 1.00 0.00 H new ATOM 0 HA VAL A 81 8.427 -10.461 2.874 1.00 0.00 H new ATOM 0 HB VAL A 81 7.599 -10.797 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.449 -9.647 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.717 -8.987 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.480 -10.079 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.494 -12.026 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.529 -12.556 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.797 -13.095 4.993 1.00 0.00 H new ATOM 1306 N GLU A 82 9.709 -12.100 4.614 1.00 0.00 N ATOM 1307 CA GLU A 82 10.722 -13.019 5.117 1.00 0.00 C ATOM 1308 C GLU A 82 10.301 -13.612 6.458 1.00 0.00 C ATOM 1309 O GLU A 82 10.842 -14.627 6.900 1.00 0.00 O ATOM 1310 CB GLU A 82 12.066 -12.302 5.264 1.00 0.00 C ATOM 1311 CG GLU A 82 13.200 -13.216 5.696 1.00 0.00 C ATOM 1312 CD GLU A 82 13.370 -14.408 4.775 1.00 0.00 C ATOM 1313 OE1 GLU A 82 12.614 -15.390 4.929 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.260 -14.359 3.900 1.00 0.00 O ATOM 0 H GLU A 82 9.666 -11.208 5.107 1.00 0.00 H new ATOM 0 HA GLU A 82 10.828 -13.831 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.327 -11.838 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.961 -11.498 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.130 -12.647 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.011 -13.569 6.710 1.00 0.00 H new ATOM 1321 N LYS A 83 9.331 -12.973 7.103 1.00 0.00 N ATOM 1322 CA LYS A 83 8.834 -13.435 8.394 1.00 0.00 C ATOM 1323 C LYS A 83 7.314 -13.328 8.462 1.00 0.00 C ATOM 1324 O LYS A 83 6.717 -12.446 7.845 1.00 0.00 O ATOM 1325 CB LYS A 83 9.465 -12.623 9.527 1.00 0.00 C ATOM 1326 CG LYS A 83 10.909 -12.996 9.812 1.00 0.00 C ATOM 1327 CD LYS A 83 11.643 -11.876 10.531 1.00 0.00 C ATOM 1328 CE LYS A 83 12.849 -12.401 11.294 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.645 -11.297 11.901 1.00 0.00 N ATOM 0 H LYS A 83 8.873 -12.132 6.752 1.00 0.00 H new ATOM 0 HA LYS A 83 9.112 -14.483 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.415 -11.564 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.877 -12.763 10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.939 -13.901 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.418 -13.224 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.966 -11.128 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.963 -11.378 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.515 -13.081 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.483 -12.977 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.458 -11.696 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.985 -10.661 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.048 -10.762 12.564 1.00 0.00 H new ATOM 1343 N GLU A 84 6.695 -14.231 9.216 1.00 0.00 N ATOM 1344 CA GLU A 84 5.245 -14.236 9.364 1.00 0.00 C ATOM 1345 C GLU A 84 4.749 -12.902 9.914 1.00 0.00 C ATOM 1346 O GLU A 84 3.798 -12.320 9.394 1.00 0.00 O ATOM 1347 CB GLU A 84 4.808 -15.375 10.289 1.00 0.00 C ATOM 1348 CG GLU A 84 3.302 -15.470 10.468 1.00 0.00 C ATOM 1349 CD GLU A 84 2.906 -16.435 11.568 1.00 0.00 C ATOM 1350 OE1 GLU A 84 3.610 -17.451 11.748 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.892 -16.176 12.249 1.00 0.00 O ATOM 0 H GLU A 84 7.175 -14.968 9.733 1.00 0.00 H new ATOM 0 HA GLU A 84 4.806 -14.389 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.178 -16.319 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.274 -15.238 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.904 -14.481 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.848 -15.788 9.530 1.00 0.00 H new ATOM 1358 N GLU A 85 5.402 -12.424 10.969 1.00 0.00 N ATOM 1359 CA GLU A 85 5.026 -11.159 11.590 1.00 0.00 C ATOM 1360 C GLU A 85 4.919 -10.051 10.546 1.00 0.00 C ATOM 1361 O GLU A 85 3.920 -9.335 10.488 1.00 0.00 O ATOM 1362 CB GLU A 85 6.047 -10.769 12.661 1.00 0.00 C ATOM 1363 CG GLU A 85 6.029 -11.676 13.880 1.00 0.00 C ATOM 1364 CD GLU A 85 6.548 -13.069 13.578 1.00 0.00 C ATOM 1365 OE1 GLU A 85 5.738 -13.931 13.179 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.765 -13.295 13.740 1.00 0.00 O ATOM 0 H GLU A 85 6.193 -12.893 11.411 1.00 0.00 H new ATOM 0 HA GLU A 85 4.050 -11.289 12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.045 -10.784 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.854 -9.744 12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.634 -11.230 14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.010 -11.746 14.261 1.00 0.00 H new ATOM 1373 N GLU A 86 5.956 -9.917 9.725 1.00 0.00 N ATOM 1374 CA GLU A 86 5.978 -8.896 8.685 1.00 0.00 C ATOM 1375 C GLU A 86 4.654 -8.863 7.926 1.00 0.00 C ATOM 1376 O GLU A 86 4.016 -7.816 7.815 1.00 0.00 O ATOM 1377 CB GLU A 86 7.130 -9.153 7.711 1.00 0.00 C ATOM 1378 CG GLU A 86 8.503 -9.056 8.354 1.00 0.00 C ATOM 1379 CD GLU A 86 8.789 -7.676 8.914 1.00 0.00 C ATOM 1380 OE1 GLU A 86 8.324 -7.382 10.035 1.00 0.00 O ATOM 1381 OE2 GLU A 86 9.478 -6.890 8.231 1.00 0.00 O ATOM 0 H GLU A 86 6.791 -10.502 9.760 1.00 0.00 H new ATOM 0 HA GLU A 86 6.126 -7.929 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.012 -10.145 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.070 -8.436 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.578 -9.792 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.264 -9.310 7.616 1.00 0.00 H new ATOM 1388 N ARG A 87 4.249 -10.017 7.405 1.00 0.00 N ATOM 1389 CA ARG A 87 3.003 -10.120 6.655 1.00 0.00 C ATOM 1390 C ARG A 87 1.895 -9.317 7.329 1.00 0.00 C ATOM 1391 O ARG A 87 1.321 -8.409 6.730 1.00 0.00 O ATOM 1392 CB ARG A 87 2.581 -11.585 6.527 1.00 0.00 C ATOM 1393 CG ARG A 87 1.396 -11.798 5.598 1.00 0.00 C ATOM 1394 CD ARG A 87 0.834 -13.206 5.726 1.00 0.00 C ATOM 1395 NE ARG A 87 0.070 -13.380 6.958 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.469 -14.535 7.332 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.326 -15.613 6.572 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -1.151 -14.615 8.467 1.00 0.00 N ATOM 0 H ARG A 87 4.765 -10.893 7.488 1.00 0.00 H new ATOM 0 HA ARG A 87 3.171 -9.709 5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.427 -12.168 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.331 -11.970 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.617 -11.072 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.703 -11.620 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.195 -13.420 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.652 -13.926 5.702 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.057 -12.570 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.198 -15.556 5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.741 -16.499 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.262 -13.789 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.564 -15.503 8.752 1.00 0.00 H new ATOM 1412 N ASN A 88 1.598 -9.660 8.579 1.00 0.00 N ATOM 1413 CA ASN A 88 0.558 -8.972 9.334 1.00 0.00 C ATOM 1414 C ASN A 88 0.825 -7.470 9.384 1.00 0.00 C ATOM 1415 O ASN A 88 -0.054 -6.663 9.084 1.00 0.00 O ATOM 1416 CB ASN A 88 0.473 -9.534 10.754 1.00 0.00 C ATOM 1417 CG ASN A 88 0.527 -11.049 10.781 1.00 0.00 C ATOM 1418 OD1 ASN A 88 0.193 -11.710 9.797 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.948 -11.607 11.910 1.00 0.00 N ATOM 0 H ASN A 88 2.063 -10.410 9.090 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.393 -9.137 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.293 -9.133 11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.453 -9.198 11.220 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.005 -12.623 11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.215 -11.020 12.700 1.00 0.00 H new ATOM 1426 N ASP A 89 2.044 -7.104 9.765 1.00 0.00 N ATOM 1427 CA ASP A 89 2.428 -5.700 9.853 1.00 0.00 C ATOM 1428 C ASP A 89 2.103 -4.966 8.557 1.00 0.00 C ATOM 1429 O ASP A 89 1.219 -4.110 8.522 1.00 0.00 O ATOM 1430 CB ASP A 89 3.920 -5.577 10.164 1.00 0.00 C ATOM 1431 CG ASP A 89 4.245 -4.325 10.956 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.637 -4.127 12.028 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.106 -3.542 10.501 1.00 0.00 O ATOM 0 H ASP A 89 2.783 -7.760 10.018 1.00 0.00 H new ATOM 0 HA ASP A 89 1.858 -5.242 10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.245 -6.453 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.483 -5.570 9.231 1.00 0.00 H new ATOM 1438 N TRP A 90 2.824 -5.305 7.494 1.00 0.00 N ATOM 1439 CA TRP A 90 2.613 -4.677 6.195 1.00 0.00 C ATOM 1440 C TRP A 90 1.126 -4.490 5.916 1.00 0.00 C ATOM 1441 O TRP A 90 0.665 -3.373 5.677 1.00 0.00 O ATOM 1442 CB TRP A 90 3.250 -5.519 5.089 1.00 0.00 C ATOM 1443 CG TRP A 90 4.744 -5.407 5.043 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.649 -6.319 5.509 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.507 -4.322 4.505 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.927 -5.865 5.292 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.867 -4.643 4.677 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.173 -3.111 3.892 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.890 -3.795 4.259 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.189 -2.271 3.478 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.534 -2.616 3.662 1.00 0.00 C ATOM 0 H TRP A 90 3.560 -6.011 7.506 1.00 0.00 H new ATOM 0 HA TRP A 90 3.086 -3.695 6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.975 -6.564 5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.840 -5.212 4.127 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.396 -7.258 5.979 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.782 -6.358 5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.139 -2.837 3.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.928 -4.059 4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.942 -1.332 3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.305 -1.938 3.326 1.00 0.00 H new ATOM 1462 N ILE A 91 0.380 -5.589 5.947 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.056 -5.545 5.699 1.00 0.00 C ATOM 1464 C ILE A 91 -1.737 -4.511 6.590 1.00 0.00 C ATOM 1465 O ILE A 91 -2.320 -3.543 6.102 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.711 -6.919 5.933 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.131 -7.956 4.969 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.220 -6.821 5.769 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.633 -9.361 5.219 1.00 0.00 C ATOM 0 H ILE A 91 0.746 -6.521 6.141 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.187 -5.263 4.654 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.496 -7.239 6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.377 -7.668 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.044 -7.947 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.669 -7.800 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.619 -6.110 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.455 -6.483 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.180 -10.043 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.364 -9.669 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.717 -9.385 5.109 1.00 0.00 H new ATOM 1481 N SER A 92 -1.656 -4.723 7.900 1.00 0.00 N ATOM 1482 CA SER A 92 -2.266 -3.810 8.860 1.00 0.00 C ATOM 1483 C SER A 92 -1.945 -2.360 8.512 1.00 0.00 C ATOM 1484 O SER A 92 -2.817 -1.492 8.556 1.00 0.00 O ATOM 1485 CB SER A 92 -1.780 -4.127 10.276 1.00 0.00 C ATOM 1486 OG SER A 92 -2.194 -5.420 10.681 1.00 0.00 O ATOM 0 H SER A 92 -1.175 -5.518 8.320 1.00 0.00 H new ATOM 0 HA SER A 92 -3.347 -3.944 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.693 -4.062 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.168 -3.383 10.972 1.00 0.00 H new ATOM 0 HG SER A 92 -1.615 -6.094 10.267 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.688 -2.107 8.165 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.250 -0.763 7.808 1.00 0.00 C ATOM 1494 C ILE A 93 -1.036 -0.228 6.616 1.00 0.00 C ATOM 1495 O ILE A 93 -1.664 0.829 6.695 1.00 0.00 O ATOM 1496 CB ILE A 93 1.253 -0.730 7.474 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.074 -1.214 8.671 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.675 0.675 7.069 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.455 -1.705 8.297 1.00 0.00 C ATOM 0 H ILE A 93 0.045 -2.815 8.123 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.434 -0.130 8.676 1.00 0.00 H new ATOM 0 HB ILE A 93 1.439 -1.400 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.169 -0.400 9.389 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.534 -2.018 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.740 0.682 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.109 0.986 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.479 1.365 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.980 -2.032 9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.368 -2.540 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.013 -0.897 7.825 1.00 0.00 H new ATOM 1511 N LEU A 94 -1.000 -0.965 5.511 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.711 -0.566 4.301 1.00 0.00 C ATOM 1513 C LEU A 94 -3.178 -0.277 4.602 1.00 0.00 C ATOM 1514 O LEU A 94 -3.663 0.832 4.374 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.602 -1.661 3.238 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.185 -2.094 2.863 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.215 -3.395 2.076 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.513 -1.002 2.066 1.00 0.00 C ATOM 0 H LEU A 94 -0.486 -1.842 5.428 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.251 0.347 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.147 -2.537 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.105 -1.315 2.335 1.00 0.00 H new ATOM 0 HG LEU A 94 0.378 -2.262 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.803 -3.688 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.675 -4.176 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.795 -3.255 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.521 -1.328 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.049 -0.802 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.568 -0.093 2.665 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.880 -1.281 5.117 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.292 -1.134 5.452 1.00 0.00 C ATOM 1532 C LEU A 95 -5.521 0.099 6.320 1.00 0.00 C ATOM 1533 O LEU A 95 -6.542 0.775 6.199 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.797 -2.383 6.177 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.636 -3.705 5.427 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.964 -4.879 6.337 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.520 -3.727 4.188 1.00 0.00 C ATOM 0 H LEU A 95 -3.494 -2.205 5.311 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.849 -1.010 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.273 -2.463 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.854 -2.244 6.405 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.597 -3.796 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.844 -5.811 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.290 -4.875 7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.993 -4.793 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.392 -4.676 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.563 -3.613 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.239 -2.908 3.526 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.561 0.388 7.193 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.657 1.541 8.081 1.00 0.00 C ATOM 1551 C ASN A 96 -4.385 2.836 7.321 1.00 0.00 C ATOM 1552 O ASN A 96 -4.930 3.888 7.652 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.671 1.401 9.242 1.00 0.00 C ATOM 1554 CG ASN A 96 -4.301 0.754 10.461 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -5.241 -0.032 10.344 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.785 1.084 11.639 1.00 0.00 N ATOM 0 H ASN A 96 -3.708 -0.160 7.304 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.671 1.579 8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.816 0.807 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.290 2.386 9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.168 0.681 12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.006 1.740 11.689 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.538 2.750 6.301 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.195 3.914 5.493 1.00 0.00 C ATOM 1565 C ALA A 97 -4.387 4.377 4.663 1.00 0.00 C ATOM 1566 O ALA A 97 -4.696 5.568 4.611 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.012 3.598 4.589 1.00 0.00 C ATOM 0 H ALA A 97 -3.077 1.887 6.014 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.918 4.725 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.766 4.476 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.152 3.322 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.270 2.770 3.929 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.055 3.428 4.015 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.215 3.739 3.186 1.00 0.00 C ATOM 1575 C LEU A 98 -7.230 4.573 3.961 1.00 0.00 C ATOM 1576 O LEU A 98 -7.718 5.591 3.471 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.870 2.450 2.688 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.002 1.554 1.803 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.651 0.191 1.624 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.760 2.213 0.453 1.00 0.00 C ATOM 0 H LEU A 98 -4.813 2.438 4.048 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.874 4.320 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.190 1.871 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.769 2.715 2.132 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.039 1.413 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.019 -0.433 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.773 -0.285 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.627 0.312 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.141 1.562 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.715 2.384 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.251 3.166 0.599 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.544 4.134 5.176 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.498 4.841 6.022 1.00 0.00 C ATOM 1594 C LYS A 99 -8.140 6.320 6.130 1.00 0.00 C ATOM 1595 O LYS A 99 -8.993 7.189 5.954 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.537 4.212 7.417 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.953 2.751 7.414 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.465 2.030 8.659 1.00 0.00 C ATOM 1599 CE LYS A 99 -9.413 2.236 9.830 1.00 0.00 C ATOM 1600 NZ LYS A 99 -8.746 1.977 11.136 1.00 0.00 N ATOM 0 H LYS A 99 -7.151 3.292 5.596 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.483 4.757 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.551 4.299 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.229 4.777 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.039 2.681 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.553 2.260 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.370 0.965 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.472 2.393 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.794 3.257 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.272 1.573 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.425 2.128 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.404 0.995 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.942 2.627 11.250 1.00 0.00 H new ATOM 1614 N SER A 100 -6.872 6.597 6.418 1.00 0.00 N ATOM 1615 CA SER A 100 -6.401 7.971 6.550 1.00 0.00 C ATOM 1616 C SER A 100 -6.931 8.839 5.413 1.00 0.00 C ATOM 1617 O SER A 100 -7.408 9.951 5.637 1.00 0.00 O ATOM 1618 CB SER A 100 -4.872 8.009 6.567 1.00 0.00 C ATOM 1619 OG SER A 100 -4.397 9.324 6.800 1.00 0.00 O ATOM 0 H SER A 100 -6.153 5.889 6.564 1.00 0.00 H new ATOM 0 HA SER A 100 -6.777 8.369 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.497 7.341 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.485 7.642 5.616 1.00 0.00 H new ATOM 0 HG SER A 100 -3.417 9.321 6.808 1.00 0.00 H new