USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 785 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 86 GLN : amide:sc= -0.984 X(o=-0.98,f=-1.2) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 TYR OH : rot 172:sc= 0.0437 USER MOD Set 2.2: A 105 SER OG : rot 142:sc= 0.99 USER MOD Single : A 8 THR OG1 : rot 25:sc= 0.0216 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -131:sc= 0.843 (180deg=-0.658) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.8) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.023 (180deg=-0.165) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 9:sc= 0.572 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.427 USER MOD Single : A 38 SER OG : rot 180:sc= -0.304 USER MOD Single : A 49 GLN : amide:sc= -0.594 K(o=-0.59,f=-0.00053) USER MOD Single : A 50 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.01) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 1.26 (180deg=0.277) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 2.16 (180deg=0.496) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.427 K(o=0.43,f=-0.22) USER MOD Single : A 71 ASN : amide:sc= -0.761 K(o=-0.76,f=-1.4!) USER MOD Single : A 72 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.9!) USER MOD Single : A 74 THR OG1 : rot 69:sc= 1.15 USER MOD Single : A 78 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.82) USER MOD Single : A 81 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.77! C(o=-3.8!,f=-6.5!) USER MOD Single : A 87 ASN : amide:sc= -0.746 K(o=-0.75,f=0) USER MOD Single : A 89 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.21) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -162:sc= -0.125 (180deg=-0.582) USER MOD Single : A 96 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.24) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= 0.579 (180deg=0.503) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.454 -18.208 -4.777 1.00 3.51 N ATOM 100 CA THR A 8 1.431 -16.844 -5.327 1.00 72.43 C ATOM 101 C THR A 8 1.139 -15.825 -4.219 1.00 70.41 C ATOM 102 O THR A 8 -0.006 -15.668 -3.795 1.00 24.35 O ATOM 103 CB THR A 8 0.377 -16.672 -6.460 1.00 54.21 C ATOM 104 OG1 THR A 8 0.645 -17.584 -7.540 1.00 41.25 O ATOM 105 CG2 THR A 8 0.375 -15.245 -7.005 1.00 64.22 C ATOM 0 HA THR A 8 2.418 -16.667 -5.754 1.00 72.43 H new ATOM 0 HB THR A 8 -0.601 -16.887 -6.029 1.00 54.21 H new ATOM 0 HG1 THR A 8 1.151 -18.352 -7.202 1.00 41.25 H new ATOM 0 HG21 THR A 8 -0.372 -15.158 -7.794 1.00 64.22 H new ATOM 0 HG22 THR A 8 0.136 -14.549 -6.201 1.00 64.22 H new ATOM 0 HG23 THR A 8 1.359 -15.008 -7.409 1.00 64.22 H new ATOM 113 N SER A 9 2.187 -15.158 -3.737 1.00 44.15 N ATOM 114 CA SER A 9 2.050 -14.145 -2.678 1.00 44.54 C ATOM 115 C SER A 9 1.851 -12.746 -3.278 1.00 73.13 C ATOM 116 O SER A 9 1.871 -12.579 -4.495 1.00 11.24 O ATOM 117 CB SER A 9 3.292 -14.153 -1.777 1.00 51.12 C ATOM 118 OG SER A 9 3.520 -15.440 -1.220 1.00 41.02 O ATOM 0 H SER A 9 3.144 -15.298 -4.060 1.00 44.15 H new ATOM 0 HA SER A 9 1.171 -14.393 -2.083 1.00 44.54 H new ATOM 0 HB2 SER A 9 4.164 -13.845 -2.354 1.00 51.12 H new ATOM 0 HB3 SER A 9 3.167 -13.425 -0.976 1.00 51.12 H new ATOM 0 HG SER A 9 4.318 -15.414 -0.652 1.00 41.02 H new ATOM 124 N PHE A 10 1.665 -11.738 -2.428 1.00 62.32 N ATOM 125 CA PHE A 10 1.407 -10.370 -2.898 1.00 75.50 C ATOM 126 C PHE A 10 2.361 -9.348 -2.253 1.00 53.32 C ATOM 127 O PHE A 10 2.830 -9.537 -1.129 1.00 61.23 O ATOM 128 CB PHE A 10 -0.058 -10.005 -2.615 1.00 4.31 C ATOM 129 CG PHE A 10 -1.030 -11.010 -3.190 1.00 65.20 C ATOM 130 CD1 PHE A 10 -1.400 -10.957 -4.527 1.00 55.41 C ATOM 131 CD2 PHE A 10 -1.555 -12.026 -2.398 1.00 53.00 C ATOM 132 CE1 PHE A 10 -2.270 -11.891 -5.058 1.00 25.54 C ATOM 133 CE2 PHE A 10 -2.427 -12.959 -2.927 1.00 40.12 C ATOM 134 CZ PHE A 10 -2.783 -12.891 -4.257 1.00 61.10 C ATOM 0 H PHE A 10 1.687 -11.838 -1.413 1.00 62.32 H new ATOM 0 HA PHE A 10 1.591 -10.336 -3.972 1.00 75.50 H new ATOM 0 HB2 PHE A 10 -0.209 -9.934 -1.538 1.00 4.31 H new ATOM 0 HB3 PHE A 10 -0.270 -9.020 -3.032 1.00 4.31 H new ATOM 0 HD1 PHE A 10 -1.003 -10.177 -5.160 1.00 55.41 H new ATOM 0 HD2 PHE A 10 -1.278 -12.087 -1.356 1.00 53.00 H new ATOM 0 HE1 PHE A 10 -2.548 -11.838 -6.100 1.00 25.54 H new ATOM 0 HE2 PHE A 10 -2.829 -13.740 -2.299 1.00 40.12 H new ATOM 0 HZ PHE A 10 -3.463 -13.620 -4.672 1.00 61.10 H new ATOM 144 N ILE A 11 2.654 -8.270 -2.987 1.00 3.13 N ATOM 145 CA ILE A 11 3.590 -7.231 -2.529 1.00 44.33 C ATOM 146 C ILE A 11 2.967 -5.828 -2.643 1.00 2.33 C ATOM 147 O ILE A 11 2.353 -5.495 -3.660 1.00 52.32 O ATOM 148 CB ILE A 11 4.906 -7.253 -3.353 1.00 63.44 C ATOM 149 CG1 ILE A 11 5.533 -8.659 -3.344 1.00 21.41 C ATOM 150 CG2 ILE A 11 5.897 -6.221 -2.813 1.00 63.13 C ATOM 151 CD1 ILE A 11 6.849 -8.748 -4.095 1.00 1.24 C ATOM 0 H ILE A 11 2.254 -8.091 -3.908 1.00 3.13 H new ATOM 0 HA ILE A 11 3.811 -7.449 -1.484 1.00 44.33 H new ATOM 0 HB ILE A 11 4.665 -6.993 -4.384 1.00 63.44 H new ATOM 0 HG12 ILE A 11 5.693 -8.969 -2.311 1.00 21.41 H new ATOM 0 HG13 ILE A 11 4.827 -9.364 -3.782 1.00 21.41 H new ATOM 0 HG21 ILE A 11 6.813 -6.252 -3.404 1.00 63.13 H new ATOM 0 HG22 ILE A 11 5.457 -5.226 -2.877 1.00 63.13 H new ATOM 0 HG23 ILE A 11 6.129 -6.449 -1.773 1.00 63.13 H new ATOM 0 HD11 ILE A 11 7.229 -9.768 -4.044 1.00 1.24 H new ATOM 0 HD12 ILE A 11 6.693 -8.471 -5.137 1.00 1.24 H new ATOM 0 HD13 ILE A 11 7.572 -8.069 -3.644 1.00 1.24 H new ATOM 163 N LEU A 12 3.130 -5.011 -1.599 1.00 5.52 N ATOM 164 CA LEU A 12 2.600 -3.638 -1.593 1.00 52.25 C ATOM 165 C LEU A 12 3.552 -2.641 -2.283 1.00 70.54 C ATOM 166 O LEU A 12 4.761 -2.630 -2.034 1.00 60.30 O ATOM 167 CB LEU A 12 2.347 -3.169 -0.151 1.00 14.53 C ATOM 168 CG LEU A 12 1.804 -1.734 -0.012 1.00 24.43 C ATOM 169 CD1 LEU A 12 0.371 -1.637 -0.537 1.00 21.01 C ATOM 170 CD2 LEU A 12 1.883 -1.260 1.437 1.00 52.24 C ATOM 0 H LEU A 12 3.624 -5.273 -0.746 1.00 5.52 H new ATOM 0 HA LEU A 12 1.665 -3.660 -2.152 1.00 52.25 H new ATOM 0 HB2 LEU A 12 1.641 -3.854 0.318 1.00 14.53 H new ATOM 0 HB3 LEU A 12 3.281 -3.242 0.407 1.00 14.53 H new ATOM 0 HG LEU A 12 2.430 -1.079 -0.618 1.00 24.43 H new ATOM 0 HD11 LEU A 12 0.012 -0.614 -0.427 1.00 21.01 H new ATOM 0 HD12 LEU A 12 0.349 -1.918 -1.590 1.00 21.01 H new ATOM 0 HD13 LEU A 12 -0.271 -2.310 0.031 1.00 21.01 H new ATOM 0 HD21 LEU A 12 1.494 -0.244 1.509 1.00 52.24 H new ATOM 0 HD22 LEU A 12 1.290 -1.921 2.069 1.00 52.24 H new ATOM 0 HD23 LEU A 12 2.921 -1.275 1.769 1.00 52.24 H new ATOM 182 N LYS A 13 2.987 -1.808 -3.154 1.00 10.21 N ATOM 183 CA LYS A 13 3.724 -0.712 -3.791 1.00 51.21 C ATOM 184 C LYS A 13 3.123 0.646 -3.404 1.00 34.53 C ATOM 185 O LYS A 13 1.906 0.782 -3.272 1.00 22.52 O ATOM 186 CB LYS A 13 3.716 -0.860 -5.317 1.00 52.21 C ATOM 187 CG LYS A 13 4.297 -2.179 -5.807 1.00 25.22 C ATOM 188 CD LYS A 13 4.399 -2.221 -7.329 1.00 54.14 C ATOM 189 CE LYS A 13 3.069 -1.886 -8.000 1.00 61.21 C ATOM 190 NZ LYS A 13 3.090 -2.194 -9.455 1.00 32.21 N ATOM 0 H LYS A 13 2.010 -1.871 -3.439 1.00 10.21 H new ATOM 0 HA LYS A 13 4.754 -0.759 -3.437 1.00 51.21 H new ATOM 0 HB2 LYS A 13 2.691 -0.769 -5.677 1.00 52.21 H new ATOM 0 HB3 LYS A 13 4.282 -0.038 -5.756 1.00 52.21 H new ATOM 0 HG2 LYS A 13 5.286 -2.325 -5.372 1.00 25.22 H new ATOM 0 HG3 LYS A 13 3.672 -3.002 -5.461 1.00 25.22 H new ATOM 0 HD2 LYS A 13 5.161 -1.515 -7.661 1.00 54.14 H new ATOM 0 HD3 LYS A 13 4.724 -3.213 -7.643 1.00 54.14 H new ATOM 0 HE2 LYS A 13 2.268 -2.450 -7.521 1.00 61.21 H new ATOM 0 HE3 LYS A 13 2.845 -0.829 -7.856 1.00 61.21 H new ATOM 0 HZ1 LYS A 13 2.731 -1.376 -9.988 1.00 32.21 H new ATOM 0 HZ2 LYS A 13 4.065 -2.400 -9.752 1.00 32.21 H new ATOM 0 HZ3 LYS A 13 2.488 -3.021 -9.643 1.00 32.21 H new ATOM 204 N VAL A 14 3.978 1.648 -3.227 1.00 23.01 N ATOM 205 CA VAL A 14 3.534 2.996 -2.849 1.00 5.22 C ATOM 206 C VAL A 14 4.091 4.063 -3.808 1.00 21.12 C ATOM 207 O VAL A 14 5.305 4.202 -3.962 1.00 61.43 O ATOM 208 CB VAL A 14 3.965 3.344 -1.399 1.00 14.34 C ATOM 209 CG1 VAL A 14 3.522 4.756 -1.019 1.00 61.24 C ATOM 210 CG2 VAL A 14 3.413 2.319 -0.408 1.00 61.11 C ATOM 0 H VAL A 14 4.988 1.557 -3.339 1.00 23.01 H new ATOM 0 HA VAL A 14 2.446 2.996 -2.911 1.00 5.22 H new ATOM 0 HB VAL A 14 5.054 3.309 -1.355 1.00 14.34 H new ATOM 0 HG11 VAL A 14 3.837 4.974 0.002 1.00 61.24 H new ATOM 0 HG12 VAL A 14 3.976 5.476 -1.700 1.00 61.24 H new ATOM 0 HG13 VAL A 14 2.436 4.827 -1.087 1.00 61.24 H new ATOM 0 HG21 VAL A 14 3.728 2.583 0.602 1.00 61.11 H new ATOM 0 HG22 VAL A 14 2.324 2.313 -0.459 1.00 61.11 H new ATOM 0 HG23 VAL A 14 3.793 1.329 -0.659 1.00 61.11 H new ATOM 220 N LEU A 15 3.198 4.809 -4.455 1.00 70.25 N ATOM 221 CA LEU A 15 3.595 5.908 -5.344 1.00 10.51 C ATOM 222 C LEU A 15 3.661 7.219 -4.543 1.00 75.44 C ATOM 223 O LEU A 15 2.634 7.760 -4.127 1.00 71.43 O ATOM 224 CB LEU A 15 2.598 6.027 -6.516 1.00 44.55 C ATOM 225 CG LEU A 15 3.132 6.684 -7.808 1.00 12.51 C ATOM 226 CD1 LEU A 15 2.078 6.628 -8.911 1.00 42.43 C ATOM 227 CD2 LEU A 15 3.569 8.127 -7.566 1.00 75.20 C ATOM 0 H LEU A 15 2.190 4.674 -4.382 1.00 70.25 H new ATOM 0 HA LEU A 15 4.582 5.703 -5.759 1.00 10.51 H new ATOM 0 HB2 LEU A 15 2.241 5.027 -6.764 1.00 44.55 H new ATOM 0 HB3 LEU A 15 1.735 6.598 -6.174 1.00 44.55 H new ATOM 0 HG LEU A 15 4.008 6.120 -8.126 1.00 12.51 H new ATOM 0 HD11 LEU A 15 2.471 7.095 -9.814 1.00 42.43 H new ATOM 0 HD12 LEU A 15 1.826 5.589 -9.121 1.00 42.43 H new ATOM 0 HD13 LEU A 15 1.184 7.160 -8.587 1.00 42.43 H new ATOM 0 HD21 LEU A 15 3.939 8.556 -8.497 1.00 75.20 H new ATOM 0 HD22 LEU A 15 2.719 8.710 -7.210 1.00 75.20 H new ATOM 0 HD23 LEU A 15 4.361 8.147 -6.818 1.00 75.20 H new ATOM 239 N TRP A 16 4.873 7.722 -4.327 1.00 22.31 N ATOM 240 CA TRP A 16 5.081 8.907 -3.490 1.00 3.52 C ATOM 241 C TRP A 16 5.108 10.189 -4.339 1.00 4.04 C ATOM 242 O TRP A 16 6.035 10.413 -5.118 1.00 50.04 O ATOM 243 CB TRP A 16 6.394 8.758 -2.704 1.00 64.24 C ATOM 244 CG TRP A 16 6.516 9.689 -1.526 1.00 15.53 C ATOM 245 CD1 TRP A 16 6.858 11.012 -1.546 1.00 31.13 C ATOM 246 CD2 TRP A 16 6.300 9.351 -0.149 1.00 50.10 C ATOM 247 NE1 TRP A 16 6.874 11.513 -0.265 1.00 63.43 N ATOM 248 CE2 TRP A 16 6.529 10.515 0.610 1.00 1.33 C ATOM 249 CE3 TRP A 16 5.931 8.177 0.517 1.00 52.33 C ATOM 250 CZ2 TRP A 16 6.406 10.536 1.999 1.00 75.33 C ATOM 251 CZ3 TRP A 16 5.809 8.200 1.893 1.00 32.44 C ATOM 252 CH2 TRP A 16 6.044 9.373 2.621 1.00 34.52 C ATOM 0 H TRP A 16 5.729 7.329 -4.719 1.00 22.31 H new ATOM 0 HA TRP A 16 4.248 8.989 -2.792 1.00 3.52 H new ATOM 0 HB2 TRP A 16 6.479 7.730 -2.351 1.00 64.24 H new ATOM 0 HB3 TRP A 16 7.231 8.933 -3.380 1.00 64.24 H new ATOM 0 HD1 TRP A 16 7.083 11.580 -2.436 1.00 31.13 H new ATOM 0 HE1 TRP A 16 7.105 12.472 -0.007 1.00 63.43 H new ATOM 0 HE3 TRP A 16 5.745 7.268 -0.035 1.00 52.33 H new ATOM 0 HZ2 TRP A 16 6.590 11.438 2.563 1.00 75.33 H new ATOM 0 HZ3 TRP A 16 5.528 7.298 2.416 1.00 32.44 H new ATOM 0 HH2 TRP A 16 5.937 9.359 3.696 1.00 34.52 H new ATOM 263 N LEU A 17 4.075 11.022 -4.192 1.00 44.05 N ATOM 264 CA LEU A 17 4.007 12.309 -4.902 1.00 52.23 C ATOM 265 C LEU A 17 4.399 13.474 -3.981 1.00 51.53 C ATOM 266 O LEU A 17 4.902 13.266 -2.877 1.00 0.34 O ATOM 267 CB LEU A 17 2.592 12.542 -5.460 1.00 72.41 C ATOM 268 CG LEU A 17 2.161 11.591 -6.588 1.00 3.41 C ATOM 269 CD1 LEU A 17 0.718 11.863 -7.006 1.00 25.43 C ATOM 270 CD2 LEU A 17 3.099 11.717 -7.790 1.00 35.42 C ATOM 0 H LEU A 17 3.274 10.832 -3.590 1.00 44.05 H new ATOM 0 HA LEU A 17 4.717 12.269 -5.728 1.00 52.23 H new ATOM 0 HB2 LEU A 17 1.878 12.453 -4.641 1.00 72.41 H new ATOM 0 HB3 LEU A 17 2.529 13.566 -5.828 1.00 72.41 H new ATOM 0 HG LEU A 17 2.221 10.570 -6.210 1.00 3.41 H new ATOM 0 HD11 LEU A 17 0.435 11.178 -7.805 1.00 25.43 H new ATOM 0 HD12 LEU A 17 0.058 11.716 -6.151 1.00 25.43 H new ATOM 0 HD13 LEU A 17 0.629 12.890 -7.360 1.00 25.43 H new ATOM 0 HD21 LEU A 17 2.776 11.035 -8.577 1.00 35.42 H new ATOM 0 HD22 LEU A 17 3.075 12.740 -8.164 1.00 35.42 H new ATOM 0 HD23 LEU A 17 4.115 11.465 -7.487 1.00 35.42 H new ATOM 282 N ASP A 18 4.164 14.700 -4.442 1.00 21.21 N ATOM 283 CA ASP A 18 4.494 15.899 -3.665 1.00 44.41 C ATOM 284 C ASP A 18 3.548 16.075 -2.460 1.00 43.24 C ATOM 285 O ASP A 18 3.955 15.909 -1.309 1.00 41.32 O ATOM 286 CB ASP A 18 4.438 17.128 -4.576 1.00 31.30 C ATOM 287 CG ASP A 18 5.241 16.918 -5.846 1.00 33.15 C ATOM 288 OD1 ASP A 18 4.692 16.334 -6.806 1.00 64.41 O ATOM 289 OD2 ASP A 18 6.425 17.307 -5.883 1.00 11.13 O ATOM 0 H ASP A 18 3.745 14.893 -5.352 1.00 21.21 H new ATOM 0 HA ASP A 18 5.503 15.785 -3.269 1.00 44.41 H new ATOM 0 HB2 ASP A 18 3.401 17.345 -4.832 1.00 31.30 H new ATOM 0 HB3 ASP A 18 4.823 17.996 -4.041 1.00 31.30 H new ATOM 294 N GLN A 19 2.284 16.409 -2.727 1.00 14.43 N ATOM 295 CA GLN A 19 1.293 16.604 -1.658 1.00 45.33 C ATOM 296 C GLN A 19 0.347 15.395 -1.522 1.00 24.01 C ATOM 297 O GLN A 19 -0.511 15.371 -0.640 1.00 13.54 O ATOM 298 CB GLN A 19 0.482 17.884 -1.915 1.00 34.34 C ATOM 299 CG GLN A 19 1.340 19.141 -2.033 1.00 55.55 C ATOM 300 CD GLN A 19 0.520 20.411 -2.203 1.00 51.44 C ATOM 301 OE1 GLN A 19 -0.599 20.519 -1.709 1.00 11.34 O ATOM 302 NE2 GLN A 19 1.068 21.385 -2.902 1.00 64.33 N ATOM 0 H GLN A 19 1.920 16.550 -3.669 1.00 14.43 H new ATOM 0 HA GLN A 19 1.838 16.702 -0.719 1.00 45.33 H new ATOM 0 HB2 GLN A 19 -0.094 17.761 -2.832 1.00 34.34 H new ATOM 0 HB3 GLN A 19 -0.234 18.019 -1.104 1.00 34.34 H new ATOM 0 HG2 GLN A 19 1.962 19.234 -1.143 1.00 55.55 H new ATOM 0 HG3 GLN A 19 2.014 19.035 -2.883 1.00 55.55 H new ATOM 0 HE21 GLN A 19 2.000 21.265 -3.300 1.00 64.33 H new ATOM 0 HE22 GLN A 19 0.561 22.258 -3.045 1.00 64.33 H new ATOM 311 N ASN A 20 0.516 14.390 -2.388 1.00 70.33 N ATOM 312 CA ASN A 20 -0.359 13.202 -2.388 1.00 54.13 C ATOM 313 C ASN A 20 0.453 11.892 -2.362 1.00 43.34 C ATOM 314 O ASN A 20 1.682 11.902 -2.469 1.00 53.32 O ATOM 315 CB ASN A 20 -1.272 13.218 -3.625 1.00 33.45 C ATOM 316 CG ASN A 20 -2.169 14.443 -3.677 1.00 43.40 C ATOM 317 OD1 ASN A 20 -3.264 14.447 -3.127 1.00 12.45 O ATOM 318 ND2 ASN A 20 -1.719 15.491 -4.340 1.00 51.10 N ATOM 0 H ASN A 20 1.248 14.371 -3.098 1.00 70.33 H new ATOM 0 HA ASN A 20 -0.964 13.241 -1.482 1.00 54.13 H new ATOM 0 HB2 ASN A 20 -0.658 13.184 -4.525 1.00 33.45 H new ATOM 0 HB3 ASN A 20 -1.890 12.320 -3.627 1.00 33.45 H new ATOM 0 HD21 ASN A 20 -2.287 16.336 -4.405 1.00 51.10 H new ATOM 0 HD22 ASN A 20 -0.803 15.457 -4.787 1.00 51.10 H new ATOM 325 N VAL A 21 -0.250 10.765 -2.217 1.00 3.00 N ATOM 326 CA VAL A 21 0.383 9.438 -2.224 1.00 24.14 C ATOM 327 C VAL A 21 -0.616 8.347 -2.664 1.00 44.14 C ATOM 328 O VAL A 21 -1.826 8.485 -2.468 1.00 22.15 O ATOM 329 CB VAL A 21 0.955 9.087 -0.823 1.00 2.03 C ATOM 330 CG1 VAL A 21 -0.167 8.935 0.202 1.00 62.12 C ATOM 331 CG2 VAL A 21 1.823 7.829 -0.883 1.00 61.02 C ATOM 0 H VAL A 21 -1.262 10.743 -2.093 1.00 3.00 H new ATOM 0 HA VAL A 21 1.203 9.473 -2.942 1.00 24.14 H new ATOM 0 HB VAL A 21 1.590 9.913 -0.503 1.00 2.03 H new ATOM 0 HG11 VAL A 21 0.259 8.689 1.175 1.00 62.12 H new ATOM 0 HG12 VAL A 21 -0.722 9.870 0.275 1.00 62.12 H new ATOM 0 HG13 VAL A 21 -0.840 8.137 -0.111 1.00 62.12 H new ATOM 0 HG21 VAL A 21 2.210 7.606 0.111 1.00 61.02 H new ATOM 0 HG22 VAL A 21 1.223 6.990 -1.235 1.00 61.02 H new ATOM 0 HG23 VAL A 21 2.655 7.993 -1.568 1.00 61.02 H new ATOM 341 N ALA A 22 -0.109 7.273 -3.277 1.00 4.42 N ATOM 342 CA ALA A 22 -0.959 6.170 -3.751 1.00 54.14 C ATOM 343 C ALA A 22 -0.399 4.795 -3.351 1.00 53.33 C ATOM 344 O ALA A 22 0.799 4.649 -3.122 1.00 71.25 O ATOM 345 CB ALA A 22 -1.115 6.246 -5.262 1.00 53.00 C ATOM 0 H ALA A 22 0.886 7.141 -3.458 1.00 4.42 H new ATOM 0 HA ALA A 22 -1.933 6.280 -3.274 1.00 54.14 H new ATOM 0 HB1 ALA A 22 -1.746 5.426 -5.604 1.00 53.00 H new ATOM 0 HB2 ALA A 22 -1.576 7.196 -5.533 1.00 53.00 H new ATOM 0 HB3 ALA A 22 -0.135 6.171 -5.733 1.00 53.00 H new ATOM 351 N ILE A 23 -1.275 3.788 -3.279 1.00 40.51 N ATOM 352 CA ILE A 23 -0.860 2.408 -2.957 1.00 1.23 C ATOM 353 C ILE A 23 -1.421 1.389 -3.970 1.00 45.41 C ATOM 354 O ILE A 23 -2.484 1.598 -4.549 1.00 15.13 O ATOM 355 CB ILE A 23 -1.308 1.995 -1.527 1.00 34.21 C ATOM 356 CG1 ILE A 23 -2.836 2.136 -1.368 1.00 11.14 C ATOM 357 CG2 ILE A 23 -0.574 2.822 -0.471 1.00 63.03 C ATOM 358 CD1 ILE A 23 -3.359 1.729 -0.004 1.00 33.31 C ATOM 0 H ILE A 23 -2.277 3.897 -3.438 1.00 40.51 H new ATOM 0 HA ILE A 23 0.229 2.398 -3.010 1.00 1.23 H new ATOM 0 HB ILE A 23 -1.049 0.947 -1.380 1.00 34.21 H new ATOM 0 HG12 ILE A 23 -3.116 3.172 -1.558 1.00 11.14 H new ATOM 0 HG13 ILE A 23 -3.327 1.529 -2.129 1.00 11.14 H new ATOM 0 HG21 ILE A 23 -0.902 2.517 0.523 1.00 63.03 H new ATOM 0 HG22 ILE A 23 0.500 2.660 -0.564 1.00 63.03 H new ATOM 0 HG23 ILE A 23 -0.796 3.879 -0.618 1.00 63.03 H new ATOM 0 HD11 ILE A 23 -4.441 1.858 0.024 1.00 33.31 H new ATOM 0 HD12 ILE A 23 -3.113 0.684 0.183 1.00 33.31 H new ATOM 0 HD13 ILE A 23 -2.899 2.352 0.763 1.00 33.31 H new ATOM 370 N ALA A 24 -0.696 0.285 -4.170 1.00 65.33 N ATOM 371 CA ALA A 24 -1.109 -0.781 -5.101 1.00 71.33 C ATOM 372 C ALA A 24 -0.513 -2.139 -4.690 1.00 43.52 C ATOM 373 O ALA A 24 0.305 -2.209 -3.778 1.00 45.30 O ATOM 374 CB ALA A 24 -0.685 -0.432 -6.524 1.00 34.43 C ATOM 0 H ALA A 24 0.189 0.101 -3.697 1.00 65.33 H new ATOM 0 HA ALA A 24 -2.195 -0.861 -5.061 1.00 71.33 H new ATOM 0 HB1 ALA A 24 -0.996 -1.227 -7.202 1.00 34.43 H new ATOM 0 HB2 ALA A 24 -1.155 0.505 -6.824 1.00 34.43 H new ATOM 0 HB3 ALA A 24 0.399 -0.324 -6.565 1.00 34.43 H new ATOM 380 N VAL A 25 -0.921 -3.217 -5.363 1.00 42.23 N ATOM 381 CA VAL A 25 -0.423 -4.566 -5.038 1.00 3.31 C ATOM 382 C VAL A 25 -0.086 -5.386 -6.298 1.00 42.34 C ATOM 383 O VAL A 25 -0.877 -5.455 -7.245 1.00 60.32 O ATOM 384 CB VAL A 25 -1.454 -5.352 -4.180 1.00 65.52 C ATOM 385 CG1 VAL A 25 -1.035 -6.811 -4.010 1.00 21.12 C ATOM 386 CG2 VAL A 25 -1.641 -4.693 -2.813 1.00 25.51 C ATOM 0 H VAL A 25 -1.590 -3.189 -6.132 1.00 42.23 H new ATOM 0 HA VAL A 25 0.495 -4.422 -4.467 1.00 3.31 H new ATOM 0 HB VAL A 25 -2.406 -5.330 -4.710 1.00 65.52 H new ATOM 0 HG11 VAL A 25 -1.776 -7.334 -3.406 1.00 21.12 H new ATOM 0 HG12 VAL A 25 -0.964 -7.286 -4.989 1.00 21.12 H new ATOM 0 HG13 VAL A 25 -0.065 -6.856 -3.514 1.00 21.12 H new ATOM 0 HG21 VAL A 25 -2.367 -5.261 -2.231 1.00 25.51 H new ATOM 0 HG22 VAL A 25 -0.688 -4.674 -2.285 1.00 25.51 H new ATOM 0 HG23 VAL A 25 -2.002 -3.673 -2.947 1.00 25.51 H new ATOM 396 N ASP A 26 1.097 -6.007 -6.294 1.00 43.34 N ATOM 397 CA ASP A 26 1.517 -6.928 -7.363 1.00 22.34 C ATOM 398 C ASP A 26 1.531 -8.382 -6.863 1.00 72.34 C ATOM 399 O ASP A 26 1.896 -8.652 -5.716 1.00 24.40 O ATOM 400 CB ASP A 26 2.916 -6.556 -7.885 1.00 74.22 C ATOM 401 CG ASP A 26 2.922 -5.328 -8.783 1.00 43.24 C ATOM 402 OD1 ASP A 26 1.921 -4.588 -8.809 1.00 1.41 O ATOM 403 OD2 ASP A 26 3.940 -5.099 -9.474 1.00 60.31 O ATOM 0 H ASP A 26 1.790 -5.889 -5.555 1.00 43.34 H new ATOM 0 HA ASP A 26 0.795 -6.839 -8.175 1.00 22.34 H new ATOM 0 HB2 ASP A 26 3.577 -6.379 -7.036 1.00 74.22 H new ATOM 0 HB3 ASP A 26 3.326 -7.402 -8.437 1.00 74.22 H new ATOM 408 N GLN A 27 1.140 -9.313 -7.728 1.00 12.20 N ATOM 409 CA GLN A 27 1.160 -10.741 -7.393 1.00 25.15 C ATOM 410 C GLN A 27 2.484 -11.394 -7.826 1.00 1.51 C ATOM 411 O GLN A 27 3.002 -11.114 -8.911 1.00 52.32 O ATOM 412 CB GLN A 27 -0.023 -11.462 -8.058 1.00 31.32 C ATOM 413 CG GLN A 27 -0.032 -11.363 -9.582 1.00 65.10 C ATOM 414 CD GLN A 27 -1.223 -12.065 -10.211 1.00 45.05 C ATOM 415 OE1 GLN A 27 -2.274 -11.471 -10.414 1.00 4.50 O ATOM 416 NE2 GLN A 27 -1.074 -13.339 -10.520 1.00 25.13 N ATOM 0 H GLN A 27 0.804 -9.108 -8.669 1.00 12.20 H new ATOM 0 HA GLN A 27 1.071 -10.833 -6.310 1.00 25.15 H new ATOM 0 HB2 GLN A 27 -0.002 -12.514 -7.772 1.00 31.32 H new ATOM 0 HB3 GLN A 27 -0.953 -11.046 -7.671 1.00 31.32 H new ATOM 0 HG2 GLN A 27 -0.040 -10.313 -9.873 1.00 65.10 H new ATOM 0 HG3 GLN A 27 0.888 -11.796 -9.975 1.00 65.10 H new ATOM 0 HE21 GLN A 27 -0.186 -13.807 -10.339 1.00 25.13 H new ATOM 0 HE22 GLN A 27 -1.847 -13.856 -10.940 1.00 25.13 H new ATOM 425 N ILE A 28 3.032 -12.258 -6.973 1.00 74.01 N ATOM 426 CA ILE A 28 4.278 -12.964 -7.280 1.00 43.21 C ATOM 427 C ILE A 28 4.009 -14.207 -8.140 1.00 72.22 C ATOM 428 O ILE A 28 3.695 -15.288 -7.630 1.00 75.44 O ATOM 429 CB ILE A 28 5.037 -13.374 -5.993 1.00 64.52 C ATOM 430 CG1 ILE A 28 5.317 -12.133 -5.128 1.00 53.12 C ATOM 431 CG2 ILE A 28 6.340 -14.096 -6.343 1.00 33.34 C ATOM 432 CD1 ILE A 28 6.100 -12.422 -3.862 1.00 11.30 C ATOM 0 H ILE A 28 2.633 -12.487 -6.063 1.00 74.01 H new ATOM 0 HA ILE A 28 4.905 -12.271 -7.841 1.00 43.21 H new ATOM 0 HB ILE A 28 4.413 -14.062 -5.422 1.00 64.52 H new ATOM 0 HG12 ILE A 28 5.867 -11.405 -5.724 1.00 53.12 H new ATOM 0 HG13 ILE A 28 4.368 -11.671 -4.857 1.00 53.12 H new ATOM 0 HG21 ILE A 28 6.859 -14.376 -5.426 1.00 33.34 H new ATOM 0 HG22 ILE A 28 6.115 -14.992 -6.921 1.00 33.34 H new ATOM 0 HG23 ILE A 28 6.976 -13.435 -6.932 1.00 33.34 H new ATOM 0 HD11 ILE A 28 6.255 -11.495 -3.310 1.00 11.30 H new ATOM 0 HD12 ILE A 28 5.543 -13.125 -3.242 1.00 11.30 H new ATOM 0 HD13 ILE A 28 7.066 -12.855 -4.122 1.00 11.30 H new ATOM 444 N VAL A 29 4.127 -14.034 -9.449 1.00 72.33 N ATOM 445 CA VAL A 29 3.900 -15.114 -10.409 1.00 34.11 C ATOM 446 C VAL A 29 5.165 -15.982 -10.560 1.00 2.51 C ATOM 447 O VAL A 29 6.260 -15.569 -10.175 1.00 0.13 O ATOM 448 CB VAL A 29 3.491 -14.535 -11.793 1.00 20.43 C ATOM 449 CG1 VAL A 29 3.021 -15.638 -12.741 1.00 34.41 C ATOM 450 CG2 VAL A 29 2.413 -13.460 -11.632 1.00 22.15 C ATOM 0 H VAL A 29 4.382 -13.145 -9.878 1.00 72.33 H new ATOM 0 HA VAL A 29 3.089 -15.737 -10.032 1.00 34.11 H new ATOM 0 HB VAL A 29 4.374 -14.073 -12.235 1.00 20.43 H new ATOM 0 HG11 VAL A 29 2.742 -15.200 -13.699 1.00 34.41 H new ATOM 0 HG12 VAL A 29 3.827 -16.357 -12.891 1.00 34.41 H new ATOM 0 HG13 VAL A 29 2.158 -16.145 -12.310 1.00 34.41 H new ATOM 0 HG21 VAL A 29 2.141 -13.068 -12.612 1.00 22.15 H new ATOM 0 HG22 VAL A 29 1.533 -13.895 -11.158 1.00 22.15 H new ATOM 0 HG23 VAL A 29 2.796 -12.650 -11.011 1.00 22.15 H new ATOM 460 N GLY A 30 5.015 -17.183 -11.114 1.00 51.52 N ATOM 461 CA GLY A 30 6.158 -18.073 -11.318 1.00 42.13 C ATOM 462 C GLY A 30 7.311 -17.442 -12.108 1.00 32.12 C ATOM 463 O GLY A 30 8.452 -17.891 -12.009 1.00 54.54 O ATOM 0 H GLY A 30 4.121 -17.561 -11.428 1.00 51.52 H new ATOM 0 HA2 GLY A 30 6.532 -18.395 -10.346 1.00 42.13 H new ATOM 0 HA3 GLY A 30 5.820 -18.967 -11.842 1.00 42.13 H new ATOM 467 N LYS A 31 7.016 -16.405 -12.895 1.00 41.43 N ATOM 468 CA LYS A 31 8.042 -15.722 -13.703 1.00 11.22 C ATOM 469 C LYS A 31 8.559 -14.436 -13.025 1.00 52.44 C ATOM 470 O LYS A 31 9.442 -13.755 -13.557 1.00 62.01 O ATOM 471 CB LYS A 31 7.476 -15.380 -15.089 1.00 4.21 C ATOM 472 CG LYS A 31 6.987 -16.591 -15.879 1.00 34.45 C ATOM 473 CD LYS A 31 8.115 -17.579 -16.170 1.00 23.33 C ATOM 474 CE LYS A 31 9.178 -16.984 -17.088 1.00 33.14 C ATOM 475 NZ LYS A 31 8.635 -16.636 -18.427 1.00 44.40 N ATOM 0 H LYS A 31 6.078 -16.017 -12.993 1.00 41.43 H new ATOM 0 HA LYS A 31 8.885 -16.406 -13.801 1.00 11.22 H new ATOM 0 HB2 LYS A 31 6.649 -14.680 -14.969 1.00 4.21 H new ATOM 0 HB3 LYS A 31 8.245 -14.869 -15.668 1.00 4.21 H new ATOM 0 HG2 LYS A 31 6.199 -17.095 -15.319 1.00 34.45 H new ATOM 0 HG3 LYS A 31 6.546 -16.257 -16.818 1.00 34.45 H new ATOM 0 HD2 LYS A 31 8.578 -17.886 -15.232 1.00 23.33 H new ATOM 0 HD3 LYS A 31 7.701 -18.476 -16.630 1.00 23.33 H new ATOM 0 HE2 LYS A 31 9.597 -16.091 -16.625 1.00 33.14 H new ATOM 0 HE3 LYS A 31 9.995 -17.696 -17.203 1.00 33.14 H new ATOM 0 HZ1 LYS A 31 9.420 -16.429 -19.077 1.00 44.40 H new ATOM 0 HZ2 LYS A 31 8.082 -17.436 -18.796 1.00 44.40 H new ATOM 0 HZ3 LYS A 31 8.023 -15.799 -18.347 1.00 44.40 H new ATOM 489 N GLY A 32 8.021 -14.115 -11.851 1.00 50.11 N ATOM 490 CA GLY A 32 8.385 -12.883 -11.150 1.00 23.42 C ATOM 491 C GLY A 32 7.183 -12.222 -10.479 1.00 22.23 C ATOM 492 O GLY A 32 6.488 -12.852 -9.688 1.00 44.51 O ATOM 0 H GLY A 32 7.332 -14.689 -11.364 1.00 50.11 H new ATOM 0 HA2 GLY A 32 9.142 -13.106 -10.398 1.00 23.42 H new ATOM 0 HA3 GLY A 32 8.834 -12.185 -11.856 1.00 23.42 H new ATOM 496 N THR A 33 6.929 -10.953 -10.787 1.00 20.34 N ATOM 497 CA THR A 33 5.739 -10.258 -10.270 1.00 0.51 C ATOM 498 C THR A 33 4.871 -9.730 -11.417 1.00 61.54 C ATOM 499 O THR A 33 5.319 -9.636 -12.561 1.00 73.32 O ATOM 500 CB THR A 33 6.100 -9.073 -9.335 1.00 75.24 C ATOM 501 OG1 THR A 33 6.753 -8.026 -10.078 1.00 64.13 O ATOM 502 CG2 THR A 33 6.998 -9.529 -8.186 1.00 1.41 C ATOM 0 H THR A 33 7.523 -10.382 -11.388 1.00 20.34 H new ATOM 0 HA THR A 33 5.187 -10.998 -9.691 1.00 0.51 H new ATOM 0 HB THR A 33 5.171 -8.688 -8.914 1.00 75.24 H new ATOM 0 HG1 THR A 33 6.973 -7.285 -9.475 1.00 64.13 H new ATOM 0 HG21 THR A 33 7.234 -8.677 -7.548 1.00 1.41 H new ATOM 0 HG22 THR A 33 6.481 -10.289 -7.600 1.00 1.41 H new ATOM 0 HG23 THR A 33 7.921 -9.947 -8.589 1.00 1.41 H new ATOM 510 N SER A 34 3.618 -9.410 -11.111 1.00 52.50 N ATOM 511 CA SER A 34 2.693 -8.825 -12.094 1.00 61.55 C ATOM 512 C SER A 34 1.638 -7.955 -11.399 1.00 44.44 C ATOM 513 O SER A 34 1.063 -8.365 -10.390 1.00 43.20 O ATOM 514 CB SER A 34 2.000 -9.924 -12.921 1.00 71.31 C ATOM 515 OG SER A 34 2.916 -10.580 -13.789 1.00 50.13 O ATOM 0 H SER A 34 3.211 -9.544 -10.185 1.00 52.50 H new ATOM 0 HA SER A 34 3.279 -8.199 -12.767 1.00 61.55 H new ATOM 0 HB2 SER A 34 1.547 -10.654 -12.250 1.00 71.31 H new ATOM 0 HB3 SER A 34 1.193 -9.485 -13.507 1.00 71.31 H new ATOM 0 HG SER A 34 3.829 -10.293 -13.579 1.00 50.13 H new ATOM 521 N PRO A 35 1.378 -6.737 -11.920 1.00 32.34 N ATOM 522 CA PRO A 35 0.387 -5.810 -11.335 1.00 72.22 C ATOM 523 C PRO A 35 -1.003 -6.438 -11.146 1.00 31.45 C ATOM 524 O PRO A 35 -1.671 -6.813 -12.116 1.00 12.31 O ATOM 525 CB PRO A 35 0.328 -4.660 -12.352 1.00 75.21 C ATOM 526 CG PRO A 35 1.654 -4.697 -13.035 1.00 2.53 C ATOM 527 CD PRO A 35 2.038 -6.152 -13.106 1.00 61.13 C ATOM 0 HA PRO A 35 0.679 -5.501 -10.331 1.00 72.22 H new ATOM 0 HB2 PRO A 35 -0.488 -4.799 -13.061 1.00 75.21 H new ATOM 0 HB3 PRO A 35 0.162 -3.702 -11.859 1.00 75.21 H new ATOM 0 HG2 PRO A 35 1.593 -4.260 -14.031 1.00 2.53 H new ATOM 0 HG3 PRO A 35 2.396 -4.123 -12.480 1.00 2.53 H new ATOM 0 HD2 PRO A 35 1.690 -6.615 -14.029 1.00 61.13 H new ATOM 0 HD3 PRO A 35 3.119 -6.285 -13.071 1.00 61.13 H new ATOM 535 N LEU A 36 -1.431 -6.550 -9.888 1.00 71.02 N ATOM 536 CA LEU A 36 -2.747 -7.104 -9.560 1.00 33.33 C ATOM 537 C LEU A 36 -3.792 -5.988 -9.406 1.00 4.44 C ATOM 538 O LEU A 36 -4.920 -6.105 -9.887 1.00 55.14 O ATOM 539 CB LEU A 36 -2.669 -7.928 -8.267 1.00 10.31 C ATOM 540 CG LEU A 36 -3.989 -8.584 -7.828 1.00 5.22 C ATOM 541 CD1 LEU A 36 -4.432 -9.639 -8.838 1.00 32.31 C ATOM 542 CD2 LEU A 36 -3.850 -9.187 -6.435 1.00 64.11 C ATOM 0 H LEU A 36 -0.884 -6.264 -9.076 1.00 71.02 H new ATOM 0 HA LEU A 36 -3.054 -7.752 -10.381 1.00 33.33 H new ATOM 0 HB2 LEU A 36 -1.920 -8.709 -8.397 1.00 10.31 H new ATOM 0 HB3 LEU A 36 -2.319 -7.281 -7.463 1.00 10.31 H new ATOM 0 HG LEU A 36 -4.759 -7.813 -7.789 1.00 5.22 H new ATOM 0 HD11 LEU A 36 -5.368 -10.090 -8.507 1.00 32.31 H new ATOM 0 HD12 LEU A 36 -4.579 -9.172 -9.812 1.00 32.31 H new ATOM 0 HD13 LEU A 36 -3.666 -10.410 -8.918 1.00 32.31 H new ATOM 0 HD21 LEU A 36 -4.794 -9.646 -6.142 1.00 64.11 H new ATOM 0 HD22 LEU A 36 -3.065 -9.943 -6.443 1.00 64.11 H new ATOM 0 HD23 LEU A 36 -3.591 -8.403 -5.723 1.00 64.11 H new ATOM 554 N THR A 37 -3.415 -4.913 -8.717 1.00 12.04 N ATOM 555 CA THR A 37 -4.300 -3.751 -8.531 1.00 23.35 C ATOM 556 C THR A 37 -3.641 -2.464 -9.037 1.00 13.02 C ATOM 557 O THR A 37 -2.439 -2.430 -9.305 1.00 2.33 O ATOM 558 CB THR A 37 -4.686 -3.546 -7.045 1.00 53.43 C ATOM 559 OG1 THR A 37 -3.527 -3.201 -6.273 1.00 72.53 O ATOM 560 CG2 THR A 37 -5.330 -4.801 -6.463 1.00 50.33 C ATOM 0 H THR A 37 -2.501 -4.817 -8.275 1.00 12.04 H new ATOM 0 HA THR A 37 -5.200 -3.962 -9.109 1.00 23.35 H new ATOM 0 HB THR A 37 -5.410 -2.732 -7.000 1.00 53.43 H new ATOM 0 HG1 THR A 37 -3.784 -3.072 -5.336 1.00 72.53 H new ATOM 0 HG21 THR A 37 -5.590 -4.626 -5.419 1.00 50.33 H new ATOM 0 HG22 THR A 37 -6.232 -5.042 -7.026 1.00 50.33 H new ATOM 0 HG23 THR A 37 -4.629 -5.633 -6.528 1.00 50.33 H new ATOM 568 N SER A 38 -4.436 -1.404 -9.173 1.00 65.42 N ATOM 569 CA SER A 38 -3.912 -0.091 -9.582 1.00 12.22 C ATOM 570 C SER A 38 -3.623 0.799 -8.365 1.00 75.31 C ATOM 571 O SER A 38 -3.969 0.456 -7.236 1.00 45.13 O ATOM 572 CB SER A 38 -4.898 0.618 -10.520 1.00 73.22 C ATOM 573 OG SER A 38 -4.396 1.884 -10.927 1.00 64.13 O ATOM 0 H SER A 38 -5.442 -1.423 -9.008 1.00 65.42 H new ATOM 0 HA SER A 38 -2.976 -0.264 -10.113 1.00 12.22 H new ATOM 0 HB2 SER A 38 -5.081 -0.003 -11.397 1.00 73.22 H new ATOM 0 HB3 SER A 38 -5.855 0.748 -10.016 1.00 73.22 H new ATOM 0 HG SER A 38 -5.042 2.315 -11.525 1.00 64.13 H new ATOM 579 N TYR A 39 -2.995 1.950 -8.601 1.00 40.23 N ATOM 580 CA TYR A 39 -2.623 2.868 -7.517 1.00 70.23 C ATOM 581 C TYR A 39 -3.816 3.703 -7.020 1.00 31.32 C ATOM 582 O TYR A 39 -4.392 4.499 -7.767 1.00 34.32 O ATOM 583 CB TYR A 39 -1.482 3.792 -7.965 1.00 10.44 C ATOM 584 CG TYR A 39 -0.118 3.118 -7.977 1.00 72.12 C ATOM 585 CD1 TYR A 39 0.663 3.075 -6.824 1.00 73.43 C ATOM 586 CD2 TYR A 39 0.389 2.528 -9.131 1.00 71.10 C ATOM 587 CE1 TYR A 39 1.903 2.466 -6.822 1.00 53.50 C ATOM 588 CE2 TYR A 39 1.631 1.920 -9.134 1.00 1.34 C ATOM 589 CZ TYR A 39 2.382 1.891 -7.978 1.00 51.51 C ATOM 590 OH TYR A 39 3.624 1.292 -7.984 1.00 75.22 O ATOM 0 H TYR A 39 -2.732 2.272 -9.532 1.00 40.23 H new ATOM 0 HA TYR A 39 -2.286 2.254 -6.682 1.00 70.23 H new ATOM 0 HB2 TYR A 39 -1.701 4.167 -8.965 1.00 10.44 H new ATOM 0 HB3 TYR A 39 -1.445 4.656 -7.302 1.00 10.44 H new ATOM 0 HD1 TYR A 39 0.292 3.526 -5.915 1.00 73.43 H new ATOM 0 HD2 TYR A 39 -0.197 2.545 -10.038 1.00 71.10 H new ATOM 0 HE1 TYR A 39 2.494 2.441 -5.918 1.00 53.50 H new ATOM 0 HE2 TYR A 39 2.011 1.469 -10.039 1.00 1.34 H new ATOM 0 HH TYR A 39 3.758 0.825 -8.835 1.00 75.22 H new ATOM 600 N PHE A 40 -4.180 3.513 -5.755 1.00 32.13 N ATOM 601 CA PHE A 40 -5.264 4.277 -5.125 1.00 12.31 C ATOM 602 C PHE A 40 -4.700 5.464 -4.327 1.00 21.15 C ATOM 603 O PHE A 40 -3.927 5.275 -3.386 1.00 64.55 O ATOM 604 CB PHE A 40 -6.082 3.363 -4.202 1.00 33.02 C ATOM 605 CG PHE A 40 -6.542 2.094 -4.876 1.00 1.32 C ATOM 606 CD1 PHE A 40 -7.544 2.126 -5.837 1.00 44.50 C ATOM 607 CD2 PHE A 40 -5.963 0.872 -4.559 1.00 64.01 C ATOM 608 CE1 PHE A 40 -7.958 0.966 -6.464 1.00 40.11 C ATOM 609 CE2 PHE A 40 -6.376 -0.290 -5.184 1.00 73.51 C ATOM 610 CZ PHE A 40 -7.374 -0.241 -6.137 1.00 1.31 C ATOM 0 H PHE A 40 -3.739 2.831 -5.138 1.00 32.13 H new ATOM 0 HA PHE A 40 -5.913 4.667 -5.909 1.00 12.31 H new ATOM 0 HB2 PHE A 40 -5.480 3.106 -3.330 1.00 33.02 H new ATOM 0 HB3 PHE A 40 -6.952 3.910 -3.839 1.00 33.02 H new ATOM 0 HD1 PHE A 40 -8.005 3.068 -6.097 1.00 44.50 H new ATOM 0 HD2 PHE A 40 -5.181 0.829 -3.815 1.00 64.01 H new ATOM 0 HE1 PHE A 40 -8.738 1.004 -7.210 1.00 40.11 H new ATOM 0 HE2 PHE A 40 -5.919 -1.234 -4.927 1.00 73.51 H new ATOM 0 HZ PHE A 40 -7.698 -1.148 -6.627 1.00 1.31 H new ATOM 620 N PHE A 41 -5.089 6.680 -4.707 1.00 51.23 N ATOM 621 CA PHE A 41 -4.580 7.900 -4.065 1.00 74.45 C ATOM 622 C PHE A 41 -5.450 8.329 -2.870 1.00 21.32 C ATOM 623 O PHE A 41 -6.680 8.247 -2.919 1.00 0.54 O ATOM 624 CB PHE A 41 -4.519 9.049 -5.085 1.00 60.14 C ATOM 625 CG PHE A 41 -3.626 8.781 -6.275 1.00 22.31 C ATOM 626 CD1 PHE A 41 -4.040 7.941 -7.301 1.00 63.11 C ATOM 627 CD2 PHE A 41 -2.373 9.376 -6.370 1.00 32.42 C ATOM 628 CE1 PHE A 41 -3.227 7.700 -8.393 1.00 14.52 C ATOM 629 CE2 PHE A 41 -1.557 9.136 -7.462 1.00 14.21 C ATOM 630 CZ PHE A 41 -1.985 8.298 -8.473 1.00 55.43 C ATOM 0 H PHE A 41 -5.757 6.851 -5.458 1.00 51.23 H new ATOM 0 HA PHE A 41 -3.580 7.675 -3.694 1.00 74.45 H new ATOM 0 HB2 PHE A 41 -5.528 9.255 -5.442 1.00 60.14 H new ATOM 0 HB3 PHE A 41 -4.170 9.949 -4.579 1.00 60.14 H new ATOM 0 HD1 PHE A 41 -5.010 7.470 -7.245 1.00 63.11 H new ATOM 0 HD2 PHE A 41 -2.033 10.033 -5.583 1.00 32.42 H new ATOM 0 HE1 PHE A 41 -3.563 7.045 -9.183 1.00 14.52 H new ATOM 0 HE2 PHE A 41 -0.586 9.604 -7.523 1.00 14.21 H new ATOM 0 HZ PHE A 41 -1.349 8.111 -9.325 1.00 55.43 H new ATOM 640 N TRP A 42 -4.807 8.803 -1.807 1.00 13.20 N ATOM 641 CA TRP A 42 -5.524 9.357 -0.651 1.00 5.20 C ATOM 642 C TRP A 42 -4.812 10.638 -0.154 1.00 45.52 C ATOM 643 O TRP A 42 -3.627 10.831 -0.429 1.00 52.24 O ATOM 644 CB TRP A 42 -5.647 8.303 0.474 1.00 54.01 C ATOM 645 CG TRP A 42 -4.528 8.315 1.476 1.00 11.54 C ATOM 646 CD1 TRP A 42 -3.253 7.856 1.303 1.00 75.05 C ATOM 647 CD2 TRP A 42 -4.600 8.806 2.820 1.00 64.02 C ATOM 648 NE1 TRP A 42 -2.526 8.045 2.454 1.00 22.34 N ATOM 649 CE2 TRP A 42 -3.333 8.624 3.399 1.00 73.31 C ATOM 650 CE3 TRP A 42 -5.615 9.388 3.588 1.00 4.41 C ATOM 651 CZ2 TRP A 42 -3.056 9.002 4.711 1.00 20.45 C ATOM 652 CZ3 TRP A 42 -5.337 9.762 4.887 1.00 24.24 C ATOM 653 CH2 TRP A 42 -4.067 9.569 5.437 1.00 71.32 C ATOM 0 H TRP A 42 -3.791 8.817 -1.717 1.00 13.20 H new ATOM 0 HA TRP A 42 -6.535 9.626 -0.956 1.00 5.20 H new ATOM 0 HB2 TRP A 42 -6.588 8.462 1.000 1.00 54.01 H new ATOM 0 HB3 TRP A 42 -5.699 7.313 0.021 1.00 54.01 H new ATOM 0 HD1 TRP A 42 -2.872 7.410 0.396 1.00 75.05 H new ATOM 0 HE1 TRP A 42 -1.546 7.795 2.584 1.00 22.34 H new ATOM 0 HE3 TRP A 42 -6.599 9.542 3.171 1.00 4.41 H new ATOM 0 HZ2 TRP A 42 -2.076 8.852 5.140 1.00 20.45 H new ATOM 0 HZ3 TRP A 42 -6.114 10.211 5.488 1.00 24.24 H new ATOM 0 HH2 TRP A 42 -3.880 9.874 6.456 1.00 71.32 H new ATOM 664 N PRO A 43 -5.514 11.550 0.564 1.00 63.21 N ATOM 665 CA PRO A 43 -6.936 11.402 0.946 1.00 53.03 C ATOM 666 C PRO A 43 -7.930 11.655 -0.205 1.00 73.10 C ATOM 667 O PRO A 43 -9.135 11.762 0.027 1.00 3.05 O ATOM 668 CB PRO A 43 -7.102 12.460 2.043 1.00 25.33 C ATOM 669 CG PRO A 43 -6.127 13.527 1.677 1.00 10.21 C ATOM 670 CD PRO A 43 -4.942 12.813 1.077 1.00 51.10 C ATOM 0 HA PRO A 43 -7.158 10.381 1.255 1.00 53.03 H new ATOM 0 HB2 PRO A 43 -8.121 12.846 2.073 1.00 25.33 H new ATOM 0 HB3 PRO A 43 -6.889 12.047 3.029 1.00 25.33 H new ATOM 0 HG2 PRO A 43 -6.563 14.227 0.965 1.00 10.21 H new ATOM 0 HG3 PRO A 43 -5.833 14.105 2.553 1.00 10.21 H new ATOM 0 HD2 PRO A 43 -4.484 13.398 0.279 1.00 51.10 H new ATOM 0 HD3 PRO A 43 -4.167 12.628 1.821 1.00 51.10 H new ATOM 678 N ARG A 44 -7.421 11.752 -1.438 1.00 53.34 N ATOM 679 CA ARG A 44 -8.267 11.869 -2.640 1.00 45.32 C ATOM 680 C ARG A 44 -9.429 10.860 -2.620 1.00 22.02 C ATOM 681 O ARG A 44 -10.572 11.200 -2.931 1.00 44.14 O ATOM 682 CB ARG A 44 -7.417 11.656 -3.904 1.00 73.24 C ATOM 683 CG ARG A 44 -6.347 12.726 -4.112 1.00 12.22 C ATOM 684 CD ARG A 44 -6.964 14.096 -4.380 1.00 21.10 C ATOM 685 NE ARG A 44 -7.759 14.101 -5.606 1.00 74.45 N ATOM 686 CZ ARG A 44 -8.847 14.799 -5.781 1.00 44.54 C ATOM 687 NH1 ARG A 44 -9.328 15.535 -4.833 1.00 34.03 N ATOM 688 NH2 ARG A 44 -9.464 14.745 -6.913 1.00 64.15 N ATOM 0 H ARG A 44 -6.420 11.752 -1.635 1.00 53.34 H new ATOM 0 HA ARG A 44 -8.694 12.872 -2.647 1.00 45.32 H new ATOM 0 HB2 ARG A 44 -6.936 10.680 -3.847 1.00 73.24 H new ATOM 0 HB3 ARG A 44 -8.074 11.637 -4.774 1.00 73.24 H new ATOM 0 HG2 ARG A 44 -5.710 12.780 -3.229 1.00 12.22 H new ATOM 0 HG3 ARG A 44 -5.708 12.444 -4.949 1.00 12.22 H new ATOM 0 HD2 ARG A 44 -7.593 14.383 -3.537 1.00 21.10 H new ATOM 0 HD3 ARG A 44 -6.173 14.842 -4.456 1.00 21.10 H new ATOM 0 HE ARG A 44 -7.441 13.517 -6.380 1.00 74.45 H new ATOM 0 HH11 ARG A 44 -8.855 15.577 -3.930 1.00 34.03 H new ATOM 0 HH12 ARG A 44 -10.180 16.074 -4.988 1.00 34.03 H new ATOM 0 HH21 ARG A 44 -9.100 14.159 -7.665 1.00 64.15 H new ATOM 0 HH22 ARG A 44 -10.315 15.288 -7.056 1.00 64.15 H new ATOM 702 N ALA A 45 -9.119 9.616 -2.258 1.00 44.42 N ATOM 703 CA ALA A 45 -10.134 8.571 -2.087 1.00 11.34 C ATOM 704 C ALA A 45 -9.780 7.656 -0.905 1.00 1.44 C ATOM 705 O ALA A 45 -8.700 7.770 -0.320 1.00 31.13 O ATOM 706 CB ALA A 45 -10.270 7.757 -3.370 1.00 43.10 C ATOM 0 H ALA A 45 -8.165 9.303 -2.076 1.00 44.42 H new ATOM 0 HA ALA A 45 -11.090 9.049 -1.871 1.00 11.34 H new ATOM 0 HB1 ALA A 45 -11.026 6.984 -3.232 1.00 43.10 H new ATOM 0 HB2 ALA A 45 -10.567 8.414 -4.188 1.00 43.10 H new ATOM 0 HB3 ALA A 45 -9.314 7.291 -3.608 1.00 43.10 H new ATOM 712 N ASP A 46 -10.693 6.760 -0.539 1.00 14.42 N ATOM 713 CA ASP A 46 -10.424 5.779 0.519 1.00 71.34 C ATOM 714 C ASP A 46 -9.503 4.662 0.004 1.00 20.10 C ATOM 715 O ASP A 46 -9.959 3.599 -0.414 1.00 3.01 O ATOM 716 CB ASP A 46 -11.738 5.206 1.061 1.00 40.41 C ATOM 717 CG ASP A 46 -12.581 6.271 1.737 1.00 40.20 C ATOM 718 OD1 ASP A 46 -13.197 7.091 1.023 1.00 74.23 O ATOM 719 OD2 ASP A 46 -12.611 6.314 2.984 1.00 24.14 O ATOM 0 H ASP A 46 -11.622 6.690 -0.954 1.00 14.42 H new ATOM 0 HA ASP A 46 -9.910 6.283 1.337 1.00 71.34 H new ATOM 0 HB2 ASP A 46 -12.304 4.759 0.244 1.00 40.41 H new ATOM 0 HB3 ASP A 46 -11.521 4.409 1.772 1.00 40.41 H new ATOM 724 N ALA A 47 -8.198 4.936 0.019 1.00 31.04 N ATOM 725 CA ALA A 47 -7.189 4.022 -0.530 1.00 43.12 C ATOM 726 C ALA A 47 -7.256 2.619 0.091 1.00 10.15 C ATOM 727 O ALA A 47 -7.329 1.622 -0.627 1.00 22.33 O ATOM 728 CB ALA A 47 -5.794 4.617 -0.352 1.00 13.22 C ATOM 0 H ALA A 47 -7.809 5.794 0.410 1.00 31.04 H new ATOM 0 HA ALA A 47 -7.406 3.905 -1.592 1.00 43.12 H new ATOM 0 HB1 ALA A 47 -5.051 3.932 -0.762 1.00 13.22 H new ATOM 0 HB2 ALA A 47 -5.736 5.571 -0.875 1.00 13.22 H new ATOM 0 HB3 ALA A 47 -5.597 4.773 0.709 1.00 13.22 H new ATOM 734 N TRP A 48 -7.237 2.544 1.419 1.00 61.33 N ATOM 735 CA TRP A 48 -7.242 1.254 2.118 1.00 3.32 C ATOM 736 C TRP A 48 -8.538 0.470 1.837 1.00 72.34 C ATOM 737 O TRP A 48 -8.503 -0.727 1.540 1.00 23.13 O ATOM 738 CB TRP A 48 -7.064 1.474 3.626 1.00 24.14 C ATOM 739 CG TRP A 48 -6.837 0.205 4.397 1.00 25.22 C ATOM 740 CD1 TRP A 48 -5.681 -0.520 4.458 1.00 52.44 C ATOM 741 CD2 TRP A 48 -7.785 -0.483 5.223 1.00 43.43 C ATOM 742 NE1 TRP A 48 -5.855 -1.618 5.264 1.00 43.04 N ATOM 743 CE2 TRP A 48 -7.136 -1.617 5.747 1.00 15.12 C ATOM 744 CE3 TRP A 48 -9.121 -0.250 5.570 1.00 22.01 C ATOM 745 CZ2 TRP A 48 -7.776 -2.516 6.596 1.00 31.14 C ATOM 746 CZ3 TRP A 48 -9.754 -1.143 6.416 1.00 61.11 C ATOM 747 CH2 TRP A 48 -9.082 -2.264 6.920 1.00 2.12 C ATOM 0 H TRP A 48 -7.218 3.357 2.035 1.00 61.33 H new ATOM 0 HA TRP A 48 -6.408 0.660 1.744 1.00 3.32 H new ATOM 0 HB2 TRP A 48 -6.220 2.144 3.790 1.00 24.14 H new ATOM 0 HB3 TRP A 48 -7.949 1.974 4.019 1.00 24.14 H new ATOM 0 HD1 TRP A 48 -4.764 -0.267 3.947 1.00 52.44 H new ATOM 0 HE1 TRP A 48 -5.145 -2.321 5.470 1.00 43.04 H new ATOM 0 HE3 TRP A 48 -9.648 0.611 5.185 1.00 22.01 H new ATOM 0 HZ2 TRP A 48 -7.260 -3.381 6.985 1.00 31.14 H new ATOM 0 HZ3 TRP A 48 -10.784 -0.973 6.693 1.00 61.11 H new ATOM 0 HH2 TRP A 48 -9.605 -2.943 7.577 1.00 2.12 H new ATOM 758 N GLN A 49 -9.678 1.158 1.931 1.00 73.10 N ATOM 759 CA GLN A 49 -10.983 0.561 1.612 1.00 1.43 C ATOM 760 C GLN A 49 -11.018 0.011 0.172 1.00 41.13 C ATOM 761 O GLN A 49 -11.431 -1.127 -0.057 1.00 42.24 O ATOM 762 CB GLN A 49 -12.105 1.595 1.817 1.00 63.40 C ATOM 763 CG GLN A 49 -13.487 1.129 1.354 1.00 33.31 C ATOM 764 CD GLN A 49 -13.974 -0.135 2.050 1.00 63.13 C ATOM 765 OE1 GLN A 49 -14.694 -0.939 1.465 1.00 50.05 O ATOM 766 NE2 GLN A 49 -13.608 -0.320 3.304 1.00 54.11 N ATOM 0 H GLN A 49 -9.727 2.133 2.226 1.00 73.10 H new ATOM 0 HA GLN A 49 -11.141 -0.277 2.291 1.00 1.43 H new ATOM 0 HB2 GLN A 49 -12.157 1.851 2.875 1.00 63.40 H new ATOM 0 HB3 GLN A 49 -11.844 2.507 1.281 1.00 63.40 H new ATOM 0 HG2 GLN A 49 -14.207 1.929 1.528 1.00 33.31 H new ATOM 0 HG3 GLN A 49 -13.459 0.953 0.279 1.00 33.31 H new ATOM 0 HE21 GLN A 49 -13.009 0.364 3.767 1.00 54.11 H new ATOM 0 HE22 GLN A 49 -13.924 -1.147 3.811 1.00 54.11 H new ATOM 775 N GLN A 50 -10.583 0.820 -0.795 1.00 42.53 N ATOM 776 CA GLN A 50 -10.560 0.399 -2.203 1.00 3.25 C ATOM 777 C GLN A 50 -9.591 -0.775 -2.430 1.00 54.21 C ATOM 778 O GLN A 50 -9.879 -1.689 -3.204 1.00 51.50 O ATOM 779 CB GLN A 50 -10.178 1.581 -3.108 1.00 74.31 C ATOM 780 CG GLN A 50 -11.201 2.714 -3.094 1.00 44.10 C ATOM 781 CD GLN A 50 -10.776 3.919 -3.924 1.00 13.10 C ATOM 782 OE1 GLN A 50 -11.605 4.624 -4.489 1.00 42.14 O ATOM 783 NE2 GLN A 50 -9.482 4.180 -3.997 1.00 44.43 N ATOM 0 H GLN A 50 -10.242 1.768 -0.634 1.00 42.53 H new ATOM 0 HA GLN A 50 -11.563 0.059 -2.461 1.00 3.25 H new ATOM 0 HB2 GLN A 50 -9.210 1.972 -2.793 1.00 74.31 H new ATOM 0 HB3 GLN A 50 -10.059 1.222 -4.130 1.00 74.31 H new ATOM 0 HG2 GLN A 50 -12.153 2.340 -3.471 1.00 44.10 H new ATOM 0 HG3 GLN A 50 -11.368 3.031 -2.065 1.00 44.10 H new ATOM 0 HE21 GLN A 50 -8.812 3.578 -3.518 1.00 44.43 H new ATOM 0 HE22 GLN A 50 -9.153 4.983 -4.533 1.00 44.43 H new ATOM 792 N LEU A 51 -8.452 -0.748 -1.740 1.00 54.50 N ATOM 793 CA LEU A 51 -7.449 -1.813 -1.862 1.00 62.55 C ATOM 794 C LEU A 51 -7.988 -3.158 -1.346 1.00 23.43 C ATOM 795 O LEU A 51 -7.953 -4.167 -2.059 1.00 50.34 O ATOM 796 CB LEU A 51 -6.173 -1.430 -1.098 1.00 74.40 C ATOM 797 CG LEU A 51 -5.023 -2.452 -1.181 1.00 42.00 C ATOM 798 CD1 LEU A 51 -4.598 -2.671 -2.632 1.00 45.01 C ATOM 799 CD2 LEU A 51 -3.837 -2.003 -0.326 1.00 14.15 C ATOM 0 H LEU A 51 -8.198 -0.003 -1.091 1.00 54.50 H new ATOM 0 HA LEU A 51 -7.215 -1.929 -2.920 1.00 62.55 H new ATOM 0 HB2 LEU A 51 -5.815 -0.473 -1.479 1.00 74.40 H new ATOM 0 HB3 LEU A 51 -6.429 -1.280 -0.049 1.00 74.40 H new ATOM 0 HG LEU A 51 -5.382 -3.403 -0.787 1.00 42.00 H new ATOM 0 HD11 LEU A 51 -3.785 -3.396 -2.668 1.00 45.01 H new ATOM 0 HD12 LEU A 51 -5.445 -3.047 -3.206 1.00 45.01 H new ATOM 0 HD13 LEU A 51 -4.261 -1.726 -3.059 1.00 45.01 H new ATOM 0 HD21 LEU A 51 -3.036 -2.739 -0.399 1.00 14.15 H new ATOM 0 HD22 LEU A 51 -3.476 -1.038 -0.682 1.00 14.15 H new ATOM 0 HD23 LEU A 51 -4.152 -1.911 0.714 1.00 14.15 H new ATOM 811 N LYS A 52 -8.488 -3.174 -0.107 1.00 30.53 N ATOM 812 CA LYS A 52 -9.037 -4.399 0.482 1.00 5.20 C ATOM 813 C LYS A 52 -10.207 -4.933 -0.357 1.00 71.21 C ATOM 814 O LYS A 52 -10.313 -6.135 -0.587 1.00 34.23 O ATOM 815 CB LYS A 52 -9.478 -4.169 1.938 1.00 23.21 C ATOM 816 CG LYS A 52 -10.617 -3.166 2.102 1.00 15.45 C ATOM 817 CD LYS A 52 -10.960 -2.917 3.569 1.00 32.30 C ATOM 818 CE LYS A 52 -11.495 -4.170 4.262 1.00 72.01 C ATOM 819 NZ LYS A 52 -12.811 -4.598 3.721 1.00 71.42 N ATOM 0 H LYS A 52 -8.524 -2.358 0.504 1.00 30.53 H new ATOM 0 HA LYS A 52 -8.245 -5.148 0.484 1.00 5.20 H new ATOM 0 HB2 LYS A 52 -9.786 -5.123 2.366 1.00 23.21 H new ATOM 0 HB3 LYS A 52 -8.620 -3.823 2.514 1.00 23.21 H new ATOM 0 HG2 LYS A 52 -10.339 -2.223 1.631 1.00 15.45 H new ATOM 0 HG3 LYS A 52 -11.501 -3.534 1.581 1.00 15.45 H new ATOM 0 HD2 LYS A 52 -10.071 -2.567 4.093 1.00 32.30 H new ATOM 0 HD3 LYS A 52 -11.703 -2.122 3.636 1.00 32.30 H new ATOM 0 HE2 LYS A 52 -10.776 -4.981 4.146 1.00 72.01 H new ATOM 0 HE3 LYS A 52 -11.589 -3.978 5.331 1.00 72.01 H new ATOM 0 HZ1 LYS A 52 -13.344 -5.099 4.460 1.00 71.42 H new ATOM 0 HZ2 LYS A 52 -13.348 -3.762 3.413 1.00 71.42 H new ATOM 0 HZ3 LYS A 52 -12.663 -5.232 2.910 1.00 71.42 H new ATOM 833 N ASP A 53 -11.065 -4.030 -0.832 1.00 72.35 N ATOM 834 CA ASP A 53 -12.191 -4.399 -1.696 1.00 31.44 C ATOM 835 C ASP A 53 -11.713 -5.149 -2.950 1.00 50.42 C ATOM 836 O ASP A 53 -12.266 -6.187 -3.318 1.00 74.20 O ATOM 837 CB ASP A 53 -12.974 -3.143 -2.088 1.00 14.04 C ATOM 838 CG ASP A 53 -14.109 -3.439 -3.054 1.00 64.44 C ATOM 839 OD1 ASP A 53 -15.023 -4.211 -2.692 1.00 62.12 O ATOM 840 OD2 ASP A 53 -14.100 -2.894 -4.177 1.00 30.30 O ATOM 0 H ASP A 53 -11.002 -3.032 -0.633 1.00 72.35 H new ATOM 0 HA ASP A 53 -12.844 -5.072 -1.140 1.00 31.44 H new ATOM 0 HB2 ASP A 53 -13.379 -2.677 -1.190 1.00 14.04 H new ATOM 0 HB3 ASP A 53 -12.294 -2.423 -2.542 1.00 14.04 H new ATOM 845 N GLU A 54 -10.676 -4.620 -3.593 1.00 22.45 N ATOM 846 CA GLU A 54 -10.083 -5.261 -4.772 1.00 50.45 C ATOM 847 C GLU A 54 -9.547 -6.668 -4.468 1.00 52.33 C ATOM 848 O GLU A 54 -9.567 -7.543 -5.335 1.00 4.51 O ATOM 849 CB GLU A 54 -8.958 -4.385 -5.341 1.00 10.51 C ATOM 850 CG GLU A 54 -9.454 -3.252 -6.229 1.00 54.31 C ATOM 851 CD GLU A 54 -10.112 -3.767 -7.499 1.00 62.45 C ATOM 852 OE1 GLU A 54 -9.389 -4.304 -8.365 1.00 11.23 O ATOM 853 OE2 GLU A 54 -11.350 -3.663 -7.626 1.00 4.53 O ATOM 0 H GLU A 54 -10.225 -3.747 -3.320 1.00 22.45 H new ATOM 0 HA GLU A 54 -10.877 -5.368 -5.511 1.00 50.45 H new ATOM 0 HB2 GLU A 54 -8.385 -3.963 -4.515 1.00 10.51 H new ATOM 0 HB3 GLU A 54 -8.276 -5.012 -5.915 1.00 10.51 H new ATOM 0 HG2 GLU A 54 -10.167 -2.642 -5.674 1.00 54.31 H new ATOM 0 HG3 GLU A 54 -8.617 -2.605 -6.492 1.00 54.31 H new ATOM 860 N LEU A 55 -9.058 -6.876 -3.249 1.00 54.51 N ATOM 861 CA LEU A 55 -8.495 -8.175 -2.854 1.00 72.30 C ATOM 862 C LEU A 55 -9.574 -9.148 -2.345 1.00 63.33 C ATOM 863 O LEU A 55 -9.441 -10.362 -2.492 1.00 54.23 O ATOM 864 CB LEU A 55 -7.408 -7.972 -1.790 1.00 13.22 C ATOM 865 CG LEU A 55 -6.210 -7.119 -2.246 1.00 14.34 C ATOM 866 CD1 LEU A 55 -5.178 -6.988 -1.128 1.00 22.54 C ATOM 867 CD2 LEU A 55 -5.572 -7.704 -3.509 1.00 24.11 C ATOM 0 H LEU A 55 -9.038 -6.168 -2.515 1.00 54.51 H new ATOM 0 HA LEU A 55 -8.053 -8.627 -3.742 1.00 72.30 H new ATOM 0 HB2 LEU A 55 -7.858 -7.503 -0.915 1.00 13.22 H new ATOM 0 HB3 LEU A 55 -7.041 -8.949 -1.474 1.00 13.22 H new ATOM 0 HG LEU A 55 -6.579 -6.121 -2.485 1.00 14.34 H new ATOM 0 HD11 LEU A 55 -4.341 -6.381 -1.474 1.00 22.54 H new ATOM 0 HD12 LEU A 55 -5.638 -6.512 -0.262 1.00 22.54 H new ATOM 0 HD13 LEU A 55 -4.817 -7.978 -0.848 1.00 22.54 H new ATOM 0 HD21 LEU A 55 -4.728 -7.084 -3.811 1.00 24.11 H new ATOM 0 HD22 LEU A 55 -5.223 -8.716 -3.305 1.00 24.11 H new ATOM 0 HD23 LEU A 55 -6.310 -7.729 -4.311 1.00 24.11 H new ATOM 879 N GLU A 56 -10.637 -8.615 -1.744 1.00 14.51 N ATOM 880 CA GLU A 56 -11.760 -9.443 -1.280 1.00 33.45 C ATOM 881 C GLU A 56 -12.649 -9.880 -2.455 1.00 2.31 C ATOM 882 O GLU A 56 -13.278 -10.940 -2.414 1.00 0.11 O ATOM 883 CB GLU A 56 -12.592 -8.685 -0.233 1.00 33.04 C ATOM 884 CG GLU A 56 -11.797 -8.302 1.010 1.00 30.42 C ATOM 885 CD GLU A 56 -12.651 -7.659 2.090 1.00 4.32 C ATOM 886 OE1 GLU A 56 -13.079 -6.502 1.907 1.00 33.33 O ATOM 887 OE2 GLU A 56 -12.892 -8.309 3.131 1.00 75.01 O ATOM 0 H GLU A 56 -10.748 -7.617 -1.565 1.00 14.51 H new ATOM 0 HA GLU A 56 -11.347 -10.339 -0.817 1.00 33.45 H new ATOM 0 HB2 GLU A 56 -12.999 -7.782 -0.688 1.00 33.04 H new ATOM 0 HB3 GLU A 56 -13.440 -9.303 0.063 1.00 33.04 H new ATOM 0 HG2 GLU A 56 -11.318 -9.193 1.416 1.00 30.42 H new ATOM 0 HG3 GLU A 56 -11.001 -7.613 0.727 1.00 30.42 H new ATOM 894 N ALA A 57 -12.707 -9.047 -3.494 1.00 21.41 N ATOM 895 CA ALA A 57 -13.418 -9.392 -4.729 1.00 11.34 C ATOM 896 C ALA A 57 -12.744 -10.577 -5.434 1.00 53.43 C ATOM 897 O ALA A 57 -13.410 -11.513 -5.888 1.00 12.32 O ATOM 898 CB ALA A 57 -13.474 -8.182 -5.655 1.00 23.15 C ATOM 0 H ALA A 57 -12.269 -8.126 -3.507 1.00 21.41 H new ATOM 0 HA ALA A 57 -14.435 -9.686 -4.472 1.00 11.34 H new ATOM 0 HB1 ALA A 57 -14.004 -8.448 -6.570 1.00 23.15 H new ATOM 0 HB2 ALA A 57 -13.998 -7.366 -5.156 1.00 23.15 H new ATOM 0 HB3 ALA A 57 -12.461 -7.866 -5.902 1.00 23.15 H new ATOM 904 N LYS A 58 -11.416 -10.521 -5.518 1.00 13.23 N ATOM 905 CA LYS A 58 -10.615 -11.605 -6.092 1.00 53.43 C ATOM 906 C LYS A 58 -10.490 -12.765 -5.086 1.00 33.25 C ATOM 907 O LYS A 58 -9.590 -12.787 -4.246 1.00 2.54 O ATOM 908 CB LYS A 58 -9.225 -11.073 -6.471 1.00 31.44 C ATOM 909 CG LYS A 58 -9.251 -9.881 -7.428 1.00 72.35 C ATOM 910 CD LYS A 58 -7.893 -9.176 -7.491 1.00 72.42 C ATOM 911 CE LYS A 58 -7.929 -7.934 -8.379 1.00 35.35 C ATOM 912 NZ LYS A 58 -8.987 -6.973 -7.955 1.00 75.25 N ATOM 0 H LYS A 58 -10.865 -9.727 -5.192 1.00 13.23 H new ATOM 0 HA LYS A 58 -11.109 -11.980 -6.989 1.00 53.43 H new ATOM 0 HB2 LYS A 58 -8.699 -10.783 -5.562 1.00 31.44 H new ATOM 0 HB3 LYS A 58 -8.652 -11.879 -6.928 1.00 31.44 H new ATOM 0 HG2 LYS A 58 -9.531 -10.221 -8.425 1.00 72.35 H new ATOM 0 HG3 LYS A 58 -10.014 -9.173 -7.106 1.00 72.35 H new ATOM 0 HD2 LYS A 58 -7.586 -8.892 -6.484 1.00 72.42 H new ATOM 0 HD3 LYS A 58 -7.142 -9.870 -7.870 1.00 72.42 H new ATOM 0 HE2 LYS A 58 -6.958 -7.440 -8.350 1.00 35.35 H new ATOM 0 HE3 LYS A 58 -8.104 -8.233 -9.413 1.00 35.35 H new ATOM 0 HZ1 LYS A 58 -8.773 -6.030 -8.337 1.00 75.25 H new ATOM 0 HZ2 LYS A 58 -9.909 -7.291 -8.315 1.00 75.25 H new ATOM 0 HZ3 LYS A 58 -9.018 -6.927 -6.916 1.00 75.25 H new ATOM 926 N HIS A 59 -11.399 -13.732 -5.183 1.00 73.32 N ATOM 927 CA HIS A 59 -11.535 -14.791 -4.170 1.00 10.15 C ATOM 928 C HIS A 59 -10.329 -15.752 -4.101 1.00 1.30 C ATOM 929 O HIS A 59 -10.316 -16.667 -3.277 1.00 64.45 O ATOM 930 CB HIS A 59 -12.826 -15.581 -4.413 1.00 14.32 C ATOM 931 CG HIS A 59 -14.073 -14.775 -4.198 1.00 43.00 C ATOM 932 ND1 HIS A 59 -14.840 -14.264 -5.229 1.00 33.51 N ATOM 933 CD2 HIS A 59 -14.695 -14.402 -3.056 1.00 4.45 C ATOM 934 CE1 HIS A 59 -15.874 -13.619 -4.726 1.00 44.43 C ATOM 935 NE2 HIS A 59 -15.811 -13.688 -3.414 1.00 15.14 N ATOM 0 H HIS A 59 -12.060 -13.809 -5.956 1.00 73.32 H new ATOM 0 HA HIS A 59 -11.573 -14.287 -3.204 1.00 10.15 H new ATOM 0 HB2 HIS A 59 -12.822 -15.963 -5.434 1.00 14.32 H new ATOM 0 HB3 HIS A 59 -12.843 -16.446 -3.749 1.00 14.32 H new ATOM 0 HD2 HIS A 59 -14.373 -14.625 -2.049 1.00 4.45 H new ATOM 0 HE1 HIS A 59 -16.643 -13.118 -5.295 1.00 44.43 H new ATOM 0 HE2 HIS A 59 -16.484 -13.277 -2.767 1.00 15.14 H new ATOM 944 N TRP A 60 -9.323 -15.565 -4.954 1.00 30.04 N ATOM 945 CA TRP A 60 -8.125 -16.422 -4.916 1.00 60.02 C ATOM 946 C TRP A 60 -7.025 -15.847 -4.000 1.00 62.31 C ATOM 947 O TRP A 60 -5.967 -16.454 -3.832 1.00 33.24 O ATOM 948 CB TRP A 60 -7.576 -16.664 -6.331 1.00 24.23 C ATOM 949 CG TRP A 60 -7.036 -15.438 -7.014 1.00 14.34 C ATOM 950 CD1 TRP A 60 -7.752 -14.426 -7.581 1.00 4.01 C ATOM 951 CD2 TRP A 60 -5.655 -15.114 -7.220 1.00 53.15 C ATOM 952 NE1 TRP A 60 -6.904 -13.493 -8.123 1.00 65.14 N ATOM 953 CE2 TRP A 60 -5.611 -13.891 -7.914 1.00 33.11 C ATOM 954 CE3 TRP A 60 -4.451 -15.741 -6.883 1.00 62.03 C ATOM 955 CZ2 TRP A 60 -4.413 -13.284 -8.275 1.00 25.12 C ATOM 956 CZ3 TRP A 60 -3.263 -15.136 -7.242 1.00 13.52 C ATOM 957 CH2 TRP A 60 -3.251 -13.918 -7.932 1.00 32.43 C ATOM 0 H TRP A 60 -9.306 -14.841 -5.672 1.00 30.04 H new ATOM 0 HA TRP A 60 -8.434 -17.378 -4.493 1.00 60.02 H new ATOM 0 HB2 TRP A 60 -6.784 -17.411 -6.276 1.00 24.23 H new ATOM 0 HB3 TRP A 60 -8.370 -17.086 -6.947 1.00 24.23 H new ATOM 0 HD1 TRP A 60 -8.830 -14.367 -7.601 1.00 4.01 H new ATOM 0 HE1 TRP A 60 -7.191 -12.641 -8.604 1.00 65.14 H new ATOM 0 HE3 TRP A 60 -4.451 -16.681 -6.352 1.00 62.03 H new ATOM 0 HZ2 TRP A 60 -4.401 -12.345 -8.808 1.00 25.12 H new ATOM 0 HZ3 TRP A 60 -2.327 -15.610 -6.986 1.00 13.52 H new ATOM 0 HH2 TRP A 60 -2.305 -13.470 -8.199 1.00 32.43 H new ATOM 968 N ILE A 61 -7.284 -14.680 -3.407 1.00 74.20 N ATOM 969 CA ILE A 61 -6.345 -14.065 -2.454 1.00 51.41 C ATOM 970 C ILE A 61 -6.488 -14.685 -1.051 1.00 42.11 C ATOM 971 O ILE A 61 -7.566 -14.659 -0.453 1.00 33.44 O ATOM 972 CB ILE A 61 -6.542 -12.518 -2.360 1.00 33.43 C ATOM 973 CG1 ILE A 61 -5.941 -11.797 -3.583 1.00 23.25 C ATOM 974 CG2 ILE A 61 -5.921 -11.958 -1.078 1.00 40.13 C ATOM 975 CD1 ILE A 61 -6.481 -12.256 -4.917 1.00 71.03 C ATOM 0 H ILE A 61 -8.134 -14.139 -3.567 1.00 74.20 H new ATOM 0 HA ILE A 61 -5.343 -14.264 -2.833 1.00 51.41 H new ATOM 0 HB ILE A 61 -7.616 -12.335 -2.341 1.00 33.43 H new ATOM 0 HG12 ILE A 61 -6.123 -10.727 -3.482 1.00 23.25 H new ATOM 0 HG13 ILE A 61 -4.860 -11.939 -3.576 1.00 23.25 H new ATOM 0 HG21 ILE A 61 -6.074 -10.879 -1.041 1.00 40.13 H new ATOM 0 HG22 ILE A 61 -6.394 -12.422 -0.212 1.00 40.13 H new ATOM 0 HG23 ILE A 61 -4.853 -12.174 -1.067 1.00 40.13 H new ATOM 0 HD11 ILE A 61 -6.000 -11.693 -5.717 1.00 71.03 H new ATOM 0 HD12 ILE A 61 -6.275 -13.319 -5.047 1.00 71.03 H new ATOM 0 HD13 ILE A 61 -7.557 -12.088 -4.951 1.00 71.03 H new ATOM 987 N ALA A 62 -5.389 -15.237 -0.534 1.00 21.02 N ATOM 988 CA ALA A 62 -5.371 -15.843 0.804 1.00 32.33 C ATOM 989 C ALA A 62 -5.510 -14.783 1.910 1.00 32.52 C ATOM 990 O ALA A 62 -4.894 -13.713 1.845 1.00 72.44 O ATOM 991 CB ALA A 62 -4.089 -16.651 1.002 1.00 31.35 C ATOM 0 H ALA A 62 -4.494 -15.278 -1.022 1.00 21.02 H new ATOM 0 HA ALA A 62 -6.229 -16.511 0.877 1.00 32.33 H new ATOM 0 HB1 ALA A 62 -4.089 -17.095 1.998 1.00 31.35 H new ATOM 0 HB2 ALA A 62 -4.037 -17.441 0.253 1.00 31.35 H new ATOM 0 HB3 ALA A 62 -3.225 -15.994 0.897 1.00 31.35 H new ATOM 997 N GLU A 63 -6.298 -15.090 2.938 1.00 63.30 N ATOM 998 CA GLU A 63 -6.583 -14.129 4.008 1.00 42.21 C ATOM 999 C GLU A 63 -5.317 -13.706 4.773 1.00 10.35 C ATOM 1000 O GLU A 63 -5.119 -12.522 5.050 1.00 52.41 O ATOM 1001 CB GLU A 63 -7.622 -14.698 4.980 1.00 1.43 C ATOM 1002 CG GLU A 63 -7.976 -13.745 6.118 1.00 12.33 C ATOM 1003 CD GLU A 63 -9.204 -14.180 6.894 1.00 75.41 C ATOM 1004 OE1 GLU A 63 -10.330 -13.892 6.434 1.00 22.53 O ATOM 1005 OE2 GLU A 63 -9.057 -14.810 7.960 1.00 34.44 O ATOM 0 H GLU A 63 -6.752 -15.996 3.055 1.00 63.30 H new ATOM 0 HA GLU A 63 -6.986 -13.236 3.531 1.00 42.21 H new ATOM 0 HB2 GLU A 63 -8.529 -14.944 4.427 1.00 1.43 H new ATOM 0 HB3 GLU A 63 -7.243 -15.629 5.401 1.00 1.43 H new ATOM 0 HG2 GLU A 63 -7.129 -13.672 6.800 1.00 12.33 H new ATOM 0 HG3 GLU A 63 -8.144 -12.748 5.711 1.00 12.33 H new ATOM 1012 N ALA A 64 -4.465 -14.670 5.101 1.00 12.31 N ATOM 1013 CA ALA A 64 -3.227 -14.395 5.841 1.00 14.53 C ATOM 1014 C ALA A 64 -2.382 -13.301 5.166 1.00 33.23 C ATOM 1015 O ALA A 64 -1.888 -12.386 5.827 1.00 1.21 O ATOM 1016 CB ALA A 64 -2.411 -15.672 5.990 1.00 41.20 C ATOM 0 H ALA A 64 -4.604 -15.653 4.868 1.00 12.31 H new ATOM 0 HA ALA A 64 -3.510 -14.028 6.828 1.00 14.53 H new ATOM 0 HB1 ALA A 64 -1.495 -15.456 6.540 1.00 41.20 H new ATOM 0 HB2 ALA A 64 -2.994 -16.415 6.533 1.00 41.20 H new ATOM 0 HB3 ALA A 64 -2.159 -16.060 5.003 1.00 41.20 H new ATOM 1022 N ASP A 65 -2.235 -13.385 3.844 1.00 64.21 N ATOM 1023 CA ASP A 65 -1.391 -12.436 3.111 1.00 40.42 C ATOM 1024 C ASP A 65 -2.140 -11.124 2.795 1.00 73.10 C ATOM 1025 O ASP A 65 -1.526 -10.058 2.740 1.00 32.14 O ATOM 1026 CB ASP A 65 -0.842 -13.082 1.832 1.00 43.15 C ATOM 1027 CG ASP A 65 0.377 -12.349 1.289 1.00 53.31 C ATOM 1028 OD1 ASP A 65 1.290 -12.031 2.085 1.00 30.33 O ATOM 1029 OD2 ASP A 65 0.431 -12.088 0.075 1.00 63.04 O ATOM 0 H ASP A 65 -2.684 -14.092 3.262 1.00 64.21 H new ATOM 0 HA ASP A 65 -0.551 -12.175 3.754 1.00 40.42 H new ATOM 0 HB2 ASP A 65 -0.577 -14.119 2.037 1.00 43.15 H new ATOM 0 HB3 ASP A 65 -1.623 -13.096 1.071 1.00 43.15 H new ATOM 1034 N ARG A 66 -3.468 -11.186 2.608 1.00 32.03 N ATOM 1035 CA ARG A 66 -4.251 -9.953 2.398 1.00 33.53 C ATOM 1036 C ARG A 66 -4.200 -9.077 3.658 1.00 2.21 C ATOM 1037 O ARG A 66 -4.110 -7.856 3.573 1.00 64.35 O ATOM 1038 CB ARG A 66 -5.719 -10.243 2.010 1.00 32.32 C ATOM 1039 CG ARG A 66 -6.619 -10.687 3.163 1.00 73.32 C ATOM 1040 CD ARG A 66 -8.077 -10.852 2.732 1.00 0.14 C ATOM 1041 NE ARG A 66 -8.914 -11.387 3.811 1.00 75.41 N ATOM 1042 CZ ARG A 66 -10.132 -10.985 4.075 1.00 53.21 C ATOM 1043 NH1 ARG A 66 -10.677 -10.036 3.381 1.00 13.01 N ATOM 1044 NH2 ARG A 66 -10.810 -11.543 5.026 1.00 2.11 N ATOM 0 H ARG A 66 -4.012 -12.049 2.597 1.00 32.03 H new ATOM 0 HA ARG A 66 -3.798 -9.421 1.561 1.00 33.53 H new ATOM 0 HB2 ARG A 66 -6.144 -9.345 1.563 1.00 32.32 H new ATOM 0 HB3 ARG A 66 -5.730 -11.017 1.243 1.00 32.32 H new ATOM 0 HG2 ARG A 66 -6.252 -11.632 3.564 1.00 73.32 H new ATOM 0 HG3 ARG A 66 -6.561 -9.955 3.968 1.00 73.32 H new ATOM 0 HD2 ARG A 66 -8.471 -9.888 2.412 1.00 0.14 H new ATOM 0 HD3 ARG A 66 -8.127 -11.518 1.871 1.00 0.14 H new ATOM 0 HE ARG A 66 -8.520 -12.123 4.397 1.00 75.41 H new ATOM 0 HH11 ARG A 66 -10.157 -9.596 2.622 1.00 13.01 H new ATOM 0 HH12 ARG A 66 -11.626 -9.729 3.594 1.00 13.01 H new ATOM 0 HH21 ARG A 66 -10.396 -12.298 5.572 1.00 2.11 H new ATOM 0 HH22 ARG A 66 -11.758 -11.227 5.229 1.00 2.11 H new ATOM 1058 N ILE A 67 -4.249 -9.713 4.828 1.00 14.44 N ATOM 1059 CA ILE A 67 -4.092 -9.003 6.099 1.00 1.40 C ATOM 1060 C ILE A 67 -2.669 -8.438 6.224 1.00 30.43 C ATOM 1061 O ILE A 67 -2.472 -7.314 6.685 1.00 35.31 O ATOM 1062 CB ILE A 67 -4.404 -9.930 7.305 1.00 72.53 C ATOM 1063 CG1 ILE A 67 -5.865 -10.415 7.246 1.00 62.22 C ATOM 1064 CG2 ILE A 67 -4.124 -9.223 8.631 1.00 31.01 C ATOM 1065 CD1 ILE A 67 -6.893 -9.300 7.263 1.00 24.35 C ATOM 0 H ILE A 67 -4.396 -10.718 4.923 1.00 14.44 H new ATOM 0 HA ILE A 67 -4.805 -8.179 6.110 1.00 1.40 H new ATOM 0 HB ILE A 67 -3.747 -10.797 7.244 1.00 72.53 H new ATOM 0 HG12 ILE A 67 -6.003 -11.007 6.341 1.00 62.22 H new ATOM 0 HG13 ILE A 67 -6.050 -11.077 8.092 1.00 62.22 H new ATOM 0 HG21 ILE A 67 -4.352 -9.896 9.457 1.00 31.01 H new ATOM 0 HG22 ILE A 67 -3.073 -8.936 8.676 1.00 31.01 H new ATOM 0 HG23 ILE A 67 -4.747 -8.332 8.707 1.00 31.01 H new ATOM 0 HD11 ILE A 67 -7.895 -9.728 7.219 1.00 24.35 H new ATOM 0 HD12 ILE A 67 -6.786 -8.721 8.180 1.00 24.35 H new ATOM 0 HD13 ILE A 67 -6.738 -8.649 6.402 1.00 24.35 H new ATOM 1077 N ASN A 68 -1.687 -9.226 5.789 1.00 74.30 N ATOM 1078 CA ASN A 68 -0.287 -8.786 5.739 1.00 1.44 C ATOM 1079 C ASN A 68 -0.141 -7.462 4.959 1.00 21.35 C ATOM 1080 O ASN A 68 0.323 -6.455 5.505 1.00 11.54 O ATOM 1081 CB ASN A 68 0.574 -9.876 5.090 1.00 3.24 C ATOM 1082 CG ASN A 68 2.017 -9.452 4.887 1.00 35.44 C ATOM 1083 OD1 ASN A 68 2.589 -8.730 5.697 1.00 74.51 O ATOM 1084 ND2 ASN A 68 2.604 -9.878 3.790 1.00 32.31 N ATOM 0 H ASN A 68 -1.834 -10.181 5.463 1.00 74.30 H new ATOM 0 HA ASN A 68 0.052 -8.612 6.760 1.00 1.44 H new ATOM 0 HB2 ASN A 68 0.548 -10.770 5.713 1.00 3.24 H new ATOM 0 HB3 ASN A 68 0.142 -10.146 4.127 1.00 3.24 H new ATOM 0 HD21 ASN A 68 3.567 -9.609 3.590 1.00 32.31 H new ATOM 0 HD22 ASN A 68 2.096 -10.477 3.140 1.00 32.31 H new ATOM 1091 N VAL A 69 -0.552 -7.471 3.686 1.00 2.42 N ATOM 1092 CA VAL A 69 -0.443 -6.283 2.827 1.00 60.15 C ATOM 1093 C VAL A 69 -1.311 -5.118 3.341 1.00 33.32 C ATOM 1094 O VAL A 69 -0.920 -3.956 3.240 1.00 33.20 O ATOM 1095 CB VAL A 69 -0.805 -6.594 1.349 1.00 44.13 C ATOM 1096 CG1 VAL A 69 0.149 -7.638 0.771 1.00 31.31 C ATOM 1097 CG2 VAL A 69 -2.260 -7.048 1.218 1.00 10.11 C ATOM 0 H VAL A 69 -0.962 -8.284 3.227 1.00 2.42 H new ATOM 0 HA VAL A 69 0.603 -5.980 2.868 1.00 60.15 H new ATOM 0 HB VAL A 69 -0.695 -5.675 0.774 1.00 44.13 H new ATOM 0 HG11 VAL A 69 -0.120 -7.843 -0.265 1.00 31.31 H new ATOM 0 HG12 VAL A 69 1.170 -7.260 0.812 1.00 31.31 H new ATOM 0 HG13 VAL A 69 0.078 -8.557 1.353 1.00 31.31 H new ATOM 0 HG21 VAL A 69 -2.483 -7.258 0.172 1.00 10.11 H new ATOM 0 HG22 VAL A 69 -2.414 -7.950 1.810 1.00 10.11 H new ATOM 0 HG23 VAL A 69 -2.921 -6.260 1.579 1.00 10.11 H new ATOM 1107 N LEU A 70 -2.483 -5.428 3.903 1.00 63.43 N ATOM 1108 CA LEU A 70 -3.353 -4.393 4.481 1.00 2.11 C ATOM 1109 C LEU A 70 -2.727 -3.758 5.731 1.00 64.11 C ATOM 1110 O LEU A 70 -2.914 -2.569 5.985 1.00 0.40 O ATOM 1111 CB LEU A 70 -4.740 -4.961 4.818 1.00 34.55 C ATOM 1112 CG LEU A 70 -5.625 -5.297 3.604 1.00 50.12 C ATOM 1113 CD1 LEU A 70 -6.967 -5.878 4.050 1.00 50.22 C ATOM 1114 CD2 LEU A 70 -5.833 -4.061 2.729 1.00 74.42 C ATOM 0 H LEU A 70 -2.851 -6.377 3.971 1.00 63.43 H new ATOM 0 HA LEU A 70 -3.467 -3.615 3.726 1.00 2.11 H new ATOM 0 HB2 LEU A 70 -4.610 -5.865 5.413 1.00 34.55 H new ATOM 0 HB3 LEU A 70 -5.267 -4.241 5.443 1.00 34.55 H new ATOM 0 HG LEU A 70 -5.112 -6.053 3.010 1.00 50.12 H new ATOM 0 HD11 LEU A 70 -7.574 -6.107 3.174 1.00 50.22 H new ATOM 0 HD12 LEU A 70 -6.797 -6.790 4.622 1.00 50.22 H new ATOM 0 HD13 LEU A 70 -7.489 -5.152 4.673 1.00 50.22 H new ATOM 0 HD21 LEU A 70 -6.461 -4.320 1.877 1.00 74.42 H new ATOM 0 HD22 LEU A 70 -6.318 -3.279 3.313 1.00 74.42 H new ATOM 0 HD23 LEU A 70 -4.868 -3.701 2.372 1.00 74.42 H new ATOM 1126 N ASN A 71 -1.993 -4.549 6.513 1.00 52.23 N ATOM 1127 CA ASN A 71 -1.302 -4.030 7.702 1.00 75.11 C ATOM 1128 C ASN A 71 -0.152 -3.091 7.315 1.00 34.32 C ATOM 1129 O ASN A 71 -0.086 -1.952 7.782 1.00 70.45 O ATOM 1130 CB ASN A 71 -0.768 -5.177 8.569 1.00 73.44 C ATOM 1131 CG ASN A 71 -1.868 -5.906 9.317 1.00 63.04 C ATOM 1132 OD1 ASN A 71 -2.901 -5.333 9.645 1.00 22.40 O ATOM 1133 ND2 ASN A 71 -1.652 -7.173 9.615 1.00 34.03 N ATOM 0 H ASN A 71 -1.859 -5.547 6.349 1.00 52.23 H new ATOM 0 HA ASN A 71 -2.032 -3.462 8.279 1.00 75.11 H new ATOM 0 HB2 ASN A 71 -0.232 -5.886 7.937 1.00 73.44 H new ATOM 0 HB3 ASN A 71 -0.048 -4.781 9.285 1.00 73.44 H new ATOM 0 HD21 ASN A 71 -2.354 -7.702 10.132 1.00 34.03 H new ATOM 0 HD22 ASN A 71 -0.783 -7.623 9.329 1.00 34.03 H new ATOM 1140 N GLN A 72 0.742 -3.565 6.449 1.00 51.32 N ATOM 1141 CA GLN A 72 1.862 -2.742 5.979 1.00 61.12 C ATOM 1142 C GLN A 72 1.352 -1.510 5.206 1.00 62.21 C ATOM 1143 O GLN A 72 1.973 -0.446 5.235 1.00 53.43 O ATOM 1144 CB GLN A 72 2.829 -3.579 5.122 1.00 12.11 C ATOM 1145 CG GLN A 72 2.207 -4.173 3.861 1.00 54.33 C ATOM 1146 CD GLN A 72 3.101 -5.200 3.167 1.00 32.40 C ATOM 1147 OE1 GLN A 72 3.081 -5.337 1.950 1.00 20.11 O ATOM 1148 NE2 GLN A 72 3.867 -5.950 3.936 1.00 71.20 N ATOM 0 H GLN A 72 0.716 -4.507 6.059 1.00 51.32 H new ATOM 0 HA GLN A 72 2.412 -2.382 6.849 1.00 61.12 H new ATOM 0 HB2 GLN A 72 3.674 -2.953 4.835 1.00 12.11 H new ATOM 0 HB3 GLN A 72 3.226 -4.390 5.732 1.00 12.11 H new ATOM 0 HG2 GLN A 72 1.259 -4.644 4.120 1.00 54.33 H new ATOM 0 HG3 GLN A 72 1.982 -3.367 3.162 1.00 54.33 H new ATOM 0 HE21 GLN A 72 3.864 -5.814 4.947 1.00 71.20 H new ATOM 0 HE22 GLN A 72 4.463 -6.666 3.520 1.00 71.20 H new ATOM 1157 N ALA A 73 0.204 -1.654 4.534 1.00 21.30 N ATOM 1158 CA ALA A 73 -0.456 -0.519 3.879 1.00 63.11 C ATOM 1159 C ALA A 73 -0.933 0.508 4.913 1.00 1.24 C ATOM 1160 O ALA A 73 -0.634 1.696 4.800 1.00 20.02 O ATOM 1161 CB ALA A 73 -1.627 -0.994 3.021 1.00 23.52 C ATOM 0 H ALA A 73 -0.286 -2.543 4.430 1.00 21.30 H new ATOM 0 HA ALA A 73 0.274 -0.037 3.229 1.00 63.11 H new ATOM 0 HB1 ALA A 73 -2.101 -0.136 2.545 1.00 23.52 H new ATOM 0 HB2 ALA A 73 -1.263 -1.678 2.255 1.00 23.52 H new ATOM 0 HB3 ALA A 73 -2.354 -1.508 3.650 1.00 23.52 H new ATOM 1167 N THR A 74 -1.667 0.038 5.927 1.00 75.15 N ATOM 1168 CA THR A 74 -2.132 0.904 7.024 1.00 43.14 C ATOM 1169 C THR A 74 -0.962 1.666 7.657 1.00 53.21 C ATOM 1170 O THR A 74 -1.062 2.862 7.933 1.00 1.54 O ATOM 1171 CB THR A 74 -2.867 0.095 8.129 1.00 35.01 C ATOM 1172 OG1 THR A 74 -4.010 -0.582 7.582 1.00 33.13 O ATOM 1173 CG2 THR A 74 -3.321 1.002 9.270 1.00 45.01 C ATOM 0 H THR A 74 -1.954 -0.937 6.014 1.00 75.15 H new ATOM 0 HA THR A 74 -2.834 1.613 6.585 1.00 43.14 H new ATOM 0 HB THR A 74 -2.161 -0.637 8.521 1.00 35.01 H new ATOM 0 HG1 THR A 74 -3.711 -1.298 6.984 1.00 33.13 H new ATOM 0 HG21 THR A 74 -3.832 0.407 10.027 1.00 45.01 H new ATOM 0 HG22 THR A 74 -2.453 1.488 9.716 1.00 45.01 H new ATOM 0 HG23 THR A 74 -4.003 1.760 8.883 1.00 45.01 H new ATOM 1181 N GLU A 75 0.151 0.965 7.869 1.00 75.04 N ATOM 1182 CA GLU A 75 1.367 1.583 8.407 1.00 61.25 C ATOM 1183 C GLU A 75 1.846 2.755 7.535 1.00 11.12 C ATOM 1184 O GLU A 75 2.071 3.855 8.037 1.00 62.44 O ATOM 1185 CB GLU A 75 2.486 0.546 8.531 1.00 2.32 C ATOM 1186 CG GLU A 75 2.253 -0.496 9.617 1.00 32.32 C ATOM 1187 CD GLU A 75 3.430 -1.447 9.768 1.00 62.25 C ATOM 1188 OE1 GLU A 75 4.560 -0.969 10.018 1.00 43.21 O ATOM 1189 OE2 GLU A 75 3.237 -2.677 9.644 1.00 20.52 O ATOM 0 H GLU A 75 0.238 -0.033 7.677 1.00 75.04 H new ATOM 0 HA GLU A 75 1.120 1.973 9.395 1.00 61.25 H new ATOM 0 HB2 GLU A 75 2.603 0.037 7.574 1.00 2.32 H new ATOM 0 HB3 GLU A 75 3.424 1.063 8.734 1.00 2.32 H new ATOM 0 HG2 GLU A 75 2.071 0.007 10.567 1.00 32.32 H new ATOM 0 HG3 GLU A 75 1.355 -1.068 9.382 1.00 32.32 H new ATOM 1196 N VAL A 76 2.002 2.513 6.231 1.00 2.33 N ATOM 1197 CA VAL A 76 2.434 3.561 5.291 1.00 24.00 C ATOM 1198 C VAL A 76 1.432 4.727 5.249 1.00 4.45 C ATOM 1199 O VAL A 76 1.821 5.894 5.184 1.00 44.44 O ATOM 1200 CB VAL A 76 2.632 2.995 3.859 1.00 70.45 C ATOM 1201 CG1 VAL A 76 3.045 4.096 2.880 1.00 73.11 C ATOM 1202 CG2 VAL A 76 3.665 1.870 3.864 1.00 2.11 C ATOM 0 H VAL A 76 1.837 1.604 5.799 1.00 2.33 H new ATOM 0 HA VAL A 76 3.391 3.934 5.656 1.00 24.00 H new ATOM 0 HB VAL A 76 1.677 2.589 3.526 1.00 70.45 H new ATOM 0 HG11 VAL A 76 3.176 3.669 1.886 1.00 73.11 H new ATOM 0 HG12 VAL A 76 2.270 4.862 2.846 1.00 73.11 H new ATOM 0 HG13 VAL A 76 3.983 4.543 3.209 1.00 73.11 H new ATOM 0 HG21 VAL A 76 3.790 1.486 2.851 1.00 2.11 H new ATOM 0 HG22 VAL A 76 4.619 2.253 4.227 1.00 2.11 H new ATOM 0 HG23 VAL A 76 3.325 1.066 4.517 1.00 2.11 H new ATOM 1212 N ILE A 77 0.143 4.399 5.295 1.00 24.44 N ATOM 1213 CA ILE A 77 -0.924 5.409 5.336 1.00 53.10 C ATOM 1214 C ILE A 77 -0.788 6.313 6.575 1.00 3.24 C ATOM 1215 O ILE A 77 -0.750 7.541 6.460 1.00 23.30 O ATOM 1216 CB ILE A 77 -2.322 4.727 5.326 1.00 73.43 C ATOM 1217 CG1 ILE A 77 -2.554 4.013 3.981 1.00 71.43 C ATOM 1218 CG2 ILE A 77 -3.440 5.732 5.609 1.00 72.31 C ATOM 1219 CD1 ILE A 77 -3.869 3.261 3.899 1.00 20.03 C ATOM 0 H ILE A 77 -0.194 3.436 5.305 1.00 24.44 H new ATOM 0 HA ILE A 77 -0.826 6.031 4.446 1.00 53.10 H new ATOM 0 HB ILE A 77 -2.342 3.986 6.125 1.00 73.43 H new ATOM 0 HG12 ILE A 77 -2.519 4.751 3.179 1.00 71.43 H new ATOM 0 HG13 ILE A 77 -1.736 3.314 3.807 1.00 71.43 H new ATOM 0 HG21 ILE A 77 -4.402 5.220 5.594 1.00 72.31 H new ATOM 0 HG22 ILE A 77 -3.284 6.183 6.589 1.00 72.31 H new ATOM 0 HG23 ILE A 77 -3.431 6.510 4.846 1.00 72.31 H new ATOM 0 HD11 ILE A 77 -3.956 2.786 2.922 1.00 20.03 H new ATOM 0 HD12 ILE A 77 -3.901 2.498 4.677 1.00 20.03 H new ATOM 0 HD13 ILE A 77 -4.696 3.957 4.039 1.00 20.03 H new ATOM 1231 N ASN A 78 -0.699 5.699 7.751 1.00 14.35 N ATOM 1232 CA ASN A 78 -0.531 6.443 9.004 1.00 64.41 C ATOM 1233 C ASN A 78 0.800 7.209 9.020 1.00 22.52 C ATOM 1234 O ASN A 78 0.868 8.341 9.492 1.00 75.34 O ATOM 1235 CB ASN A 78 -0.590 5.486 10.201 1.00 11.12 C ATOM 1236 CG ASN A 78 -1.925 4.767 10.307 1.00 11.22 C ATOM 1237 OD1 ASN A 78 -2.966 5.302 9.943 1.00 24.01 O ATOM 1238 ND2 ASN A 78 -1.909 3.548 10.806 1.00 24.00 N ATOM 0 H ASN A 78 -0.740 4.686 7.867 1.00 14.35 H new ATOM 0 HA ASN A 78 -1.345 7.164 9.076 1.00 64.41 H new ATOM 0 HB2 ASN A 78 0.209 4.750 10.113 1.00 11.12 H new ATOM 0 HB3 ASN A 78 -0.409 6.046 11.119 1.00 11.12 H new ATOM 0 HD21 ASN A 78 -2.779 3.023 10.898 1.00 24.00 H new ATOM 0 HD22 ASN A 78 -1.027 3.129 11.100 1.00 24.00 H new ATOM 1245 N PHE A 79 1.850 6.579 8.495 1.00 22.42 N ATOM 1246 CA PHE A 79 3.189 7.183 8.439 1.00 20.41 C ATOM 1247 C PHE A 79 3.189 8.456 7.584 1.00 51.22 C ATOM 1248 O PHE A 79 3.726 9.488 7.987 1.00 10.11 O ATOM 1249 CB PHE A 79 4.189 6.166 7.873 1.00 21.02 C ATOM 1250 CG PHE A 79 5.628 6.630 7.880 1.00 62.52 C ATOM 1251 CD1 PHE A 79 6.399 6.526 9.030 1.00 5.44 C ATOM 1252 CD2 PHE A 79 6.212 7.164 6.738 1.00 53.12 C ATOM 1253 CE1 PHE A 79 7.717 6.942 9.041 1.00 20.11 C ATOM 1254 CE2 PHE A 79 7.531 7.579 6.745 1.00 11.44 C ATOM 1255 CZ PHE A 79 8.283 7.467 7.897 1.00 33.00 C ATOM 0 H PHE A 79 1.802 5.641 8.098 1.00 22.42 H new ATOM 0 HA PHE A 79 3.484 7.460 9.451 1.00 20.41 H new ATOM 0 HB2 PHE A 79 4.115 5.244 8.449 1.00 21.02 H new ATOM 0 HB3 PHE A 79 3.903 5.926 6.849 1.00 21.02 H new ATOM 0 HD1 PHE A 79 5.963 6.114 9.928 1.00 5.44 H new ATOM 0 HD2 PHE A 79 5.629 7.256 5.834 1.00 53.12 H new ATOM 0 HE1 PHE A 79 8.303 6.856 9.944 1.00 20.11 H new ATOM 0 HE2 PHE A 79 7.973 7.991 5.849 1.00 11.44 H new ATOM 0 HZ PHE A 79 9.314 7.790 7.903 1.00 33.00 H new ATOM 1265 N TRP A 80 2.587 8.375 6.397 1.00 50.14 N ATOM 1266 CA TRP A 80 2.467 9.533 5.507 1.00 34.03 C ATOM 1267 C TRP A 80 1.670 10.661 6.179 1.00 53.24 C ATOM 1268 O TRP A 80 2.128 11.804 6.245 1.00 31.33 O ATOM 1269 CB TRP A 80 1.793 9.126 4.189 1.00 34.31 C ATOM 1270 CG TRP A 80 1.700 10.245 3.185 1.00 14.53 C ATOM 1271 CD1 TRP A 80 2.698 10.700 2.373 1.00 62.14 C ATOM 1272 CD2 TRP A 80 0.549 11.046 2.888 1.00 53.11 C ATOM 1273 NE1 TRP A 80 2.239 11.730 1.591 1.00 1.51 N ATOM 1274 CE2 TRP A 80 0.923 11.961 1.887 1.00 4.31 C ATOM 1275 CE3 TRP A 80 -0.762 11.077 3.368 1.00 3.34 C ATOM 1276 CZ2 TRP A 80 0.035 12.894 1.358 1.00 42.01 C ATOM 1277 CZ3 TRP A 80 -1.644 12.004 2.844 1.00 71.00 C ATOM 1278 CH2 TRP A 80 -1.241 12.902 1.847 1.00 3.42 C ATOM 0 H TRP A 80 2.174 7.519 6.028 1.00 50.14 H new ATOM 0 HA TRP A 80 3.471 9.901 5.293 1.00 34.03 H new ATOM 0 HB2 TRP A 80 2.349 8.299 3.747 1.00 34.31 H new ATOM 0 HB3 TRP A 80 0.790 8.758 4.403 1.00 34.31 H new ATOM 0 HD1 TRP A 80 3.703 10.306 2.349 1.00 62.14 H new ATOM 0 HE1 TRP A 80 2.790 12.241 0.901 1.00 1.51 H new ATOM 0 HE3 TRP A 80 -1.082 10.388 4.136 1.00 3.34 H new ATOM 0 HZ2 TRP A 80 0.344 13.586 0.589 1.00 42.01 H new ATOM 0 HZ3 TRP A 80 -2.660 12.036 3.209 1.00 71.00 H new ATOM 0 HH2 TRP A 80 -1.953 13.615 1.457 1.00 3.42 H new ATOM 1289 N GLN A 81 0.478 10.333 6.677 1.00 45.31 N ATOM 1290 CA GLN A 81 -0.355 11.310 7.388 1.00 30.11 C ATOM 1291 C GLN A 81 0.404 11.909 8.581 1.00 14.13 C ATOM 1292 O GLN A 81 0.307 13.107 8.853 1.00 55.24 O ATOM 1293 CB GLN A 81 -1.659 10.655 7.862 1.00 55.00 C ATOM 1294 CG GLN A 81 -2.623 11.612 8.562 1.00 40.12 C ATOM 1295 CD GLN A 81 -3.100 12.751 7.669 1.00 25.34 C ATOM 1296 OE1 GLN A 81 -3.206 12.611 6.455 1.00 61.32 O ATOM 1297 NE2 GLN A 81 -3.399 13.888 8.263 1.00 3.20 N ATOM 0 H GLN A 81 0.066 9.403 6.603 1.00 45.31 H new ATOM 0 HA GLN A 81 -0.599 12.117 6.697 1.00 30.11 H new ATOM 0 HB2 GLN A 81 -2.164 10.213 7.003 1.00 55.00 H new ATOM 0 HB3 GLN A 81 -1.416 9.839 8.543 1.00 55.00 H new ATOM 0 HG2 GLN A 81 -3.488 11.051 8.915 1.00 40.12 H new ATOM 0 HG3 GLN A 81 -2.133 12.030 9.441 1.00 40.12 H new ATOM 0 HE21 GLN A 81 -3.301 13.976 9.274 1.00 3.20 H new ATOM 0 HE22 GLN A 81 -3.728 14.680 7.711 1.00 3.20 H new ATOM 1306 N ASP A 82 1.172 11.066 9.270 1.00 23.10 N ATOM 1307 CA ASP A 82 1.997 11.495 10.402 1.00 64.01 C ATOM 1308 C ASP A 82 2.981 12.599 9.974 1.00 74.43 C ATOM 1309 O ASP A 82 3.205 13.579 10.695 1.00 21.44 O ATOM 1310 CB ASP A 82 2.755 10.291 10.974 1.00 33.33 C ATOM 1311 CG ASP A 82 3.394 10.583 12.315 1.00 24.54 C ATOM 1312 OD1 ASP A 82 2.658 10.932 13.260 1.00 63.12 O ATOM 1313 OD2 ASP A 82 4.631 10.467 12.434 1.00 44.41 O ATOM 0 H ASP A 82 1.241 10.070 9.062 1.00 23.10 H new ATOM 0 HA ASP A 82 1.347 11.906 11.174 1.00 64.01 H new ATOM 0 HB2 ASP A 82 2.068 9.451 11.079 1.00 33.33 H new ATOM 0 HB3 ASP A 82 3.527 9.985 10.268 1.00 33.33 H new ATOM 1318 N LEU A 83 3.558 12.435 8.785 1.00 63.34 N ATOM 1319 CA LEU A 83 4.443 13.449 8.207 1.00 22.32 C ATOM 1320 C LEU A 83 3.663 14.718 7.826 1.00 60.55 C ATOM 1321 O LEU A 83 4.207 15.822 7.855 1.00 40.34 O ATOM 1322 CB LEU A 83 5.156 12.893 6.967 1.00 32.02 C ATOM 1323 CG LEU A 83 5.981 11.617 7.193 1.00 52.14 C ATOM 1324 CD1 LEU A 83 6.638 11.168 5.894 1.00 4.54 C ATOM 1325 CD2 LEU A 83 7.026 11.828 8.291 1.00 75.41 C ATOM 0 H LEU A 83 3.429 11.609 8.201 1.00 63.34 H new ATOM 0 HA LEU A 83 5.183 13.711 8.963 1.00 22.32 H new ATOM 0 HB2 LEU A 83 4.408 12.690 6.200 1.00 32.02 H new ATOM 0 HB3 LEU A 83 5.816 13.666 6.572 1.00 32.02 H new ATOM 0 HG LEU A 83 5.305 10.828 7.524 1.00 52.14 H new ATOM 0 HD11 LEU A 83 7.218 10.263 6.074 1.00 4.54 H new ATOM 0 HD12 LEU A 83 5.869 10.964 5.149 1.00 4.54 H new ATOM 0 HD13 LEU A 83 7.298 11.955 5.529 1.00 4.54 H new ATOM 0 HD21 LEU A 83 7.597 10.910 8.432 1.00 75.41 H new ATOM 0 HD22 LEU A 83 7.701 12.634 8.001 1.00 75.41 H new ATOM 0 HD23 LEU A 83 6.526 12.091 9.223 1.00 75.41 H new ATOM 1337 N LYS A 84 2.387 14.551 7.468 1.00 32.52 N ATOM 1338 CA LYS A 84 1.532 15.679 7.069 1.00 63.03 C ATOM 1339 C LYS A 84 1.168 16.571 8.269 1.00 12.34 C ATOM 1340 O LYS A 84 1.283 17.796 8.193 1.00 0.43 O ATOM 1341 CB LYS A 84 0.249 15.167 6.393 1.00 50.34 C ATOM 1342 CG LYS A 84 0.504 14.271 5.183 1.00 70.11 C ATOM 1343 CD LYS A 84 1.207 15.007 4.040 1.00 33.02 C ATOM 1344 CE LYS A 84 0.312 16.064 3.404 1.00 25.40 C ATOM 1345 NZ LYS A 84 0.940 16.668 2.199 1.00 2.10 N ATOM 0 H LYS A 84 1.920 13.645 7.445 1.00 32.52 H new ATOM 0 HA LYS A 84 2.099 16.282 6.360 1.00 63.03 H new ATOM 0 HB2 LYS A 84 -0.340 14.614 7.125 1.00 50.34 H new ATOM 0 HB3 LYS A 84 -0.351 16.021 6.080 1.00 50.34 H new ATOM 0 HG2 LYS A 84 1.111 13.419 5.489 1.00 70.11 H new ATOM 0 HG3 LYS A 84 -0.445 13.873 4.824 1.00 70.11 H new ATOM 0 HD2 LYS A 84 2.114 15.479 4.417 1.00 33.02 H new ATOM 0 HD3 LYS A 84 1.514 14.288 3.281 1.00 33.02 H new ATOM 0 HE2 LYS A 84 -0.642 15.615 3.130 1.00 25.40 H new ATOM 0 HE3 LYS A 84 0.099 16.846 4.133 1.00 25.40 H new ATOM 0 HZ1 LYS A 84 0.301 17.382 1.795 1.00 2.10 H new ATOM 0 HZ2 LYS A 84 1.839 17.119 2.465 1.00 2.10 H new ATOM 0 HZ3 LYS A 84 1.121 15.926 1.493 1.00 2.10 H new ATOM 1359 N ASN A 85 0.735 15.964 9.382 1.00 75.03 N ATOM 1360 CA ASN A 85 0.380 16.738 10.585 1.00 54.34 C ATOM 1361 C ASN A 85 1.624 17.355 11.247 1.00 13.45 C ATOM 1362 O ASN A 85 1.527 18.356 11.953 1.00 71.14 O ATOM 1363 CB ASN A 85 -0.401 15.888 11.604 1.00 71.12 C ATOM 1364 CG ASN A 85 0.343 14.645 12.049 1.00 33.33 C ATOM 1365 OD1 ASN A 85 0.168 13.575 11.491 1.00 63.43 O ATOM 1366 ND2 ASN A 85 1.177 14.776 13.060 1.00 31.53 N ATOM 0 H ASN A 85 0.622 14.955 9.477 1.00 75.03 H new ATOM 0 HA ASN A 85 -0.270 17.548 10.254 1.00 54.34 H new ATOM 0 HB2 ASN A 85 -0.627 16.499 12.478 1.00 71.12 H new ATOM 0 HB3 ASN A 85 -1.354 15.594 11.165 1.00 71.12 H new ATOM 0 HD21 ASN A 85 1.700 13.968 13.398 1.00 31.53 H new ATOM 0 HD22 ASN A 85 1.300 15.686 13.505 1.00 31.53 H new ATOM 1373 N GLN A 86 2.788 16.746 11.024 1.00 40.54 N ATOM 1374 CA GLN A 86 4.055 17.303 11.516 1.00 44.04 C ATOM 1375 C GLN A 86 4.759 18.160 10.447 1.00 3.15 C ATOM 1376 O GLN A 86 5.825 18.714 10.699 1.00 65.50 O ATOM 1377 CB GLN A 86 4.984 16.175 11.986 1.00 20.31 C ATOM 1378 CG GLN A 86 4.485 15.453 13.233 1.00 11.44 C ATOM 1379 CD GLN A 86 5.353 14.269 13.614 1.00 21.53 C ATOM 1380 OE1 GLN A 86 6.320 14.399 14.359 1.00 1.20 O ATOM 1381 NE2 GLN A 86 5.016 13.106 13.104 1.00 3.01 N ATOM 0 H GLN A 86 2.884 15.871 10.509 1.00 40.54 H new ATOM 0 HA GLN A 86 3.822 17.954 12.359 1.00 44.04 H new ATOM 0 HB2 GLN A 86 5.100 15.451 11.179 1.00 20.31 H new ATOM 0 HB3 GLN A 86 5.972 16.589 12.187 1.00 20.31 H new ATOM 0 HG2 GLN A 86 4.452 16.156 14.065 1.00 11.44 H new ATOM 0 HG3 GLN A 86 3.464 15.110 13.065 1.00 11.44 H new ATOM 0 HE21 GLN A 86 4.206 13.035 12.488 1.00 3.01 H new ATOM 0 HE22 GLN A 86 5.564 12.275 13.324 1.00 3.01 H new ATOM 1390 N ASN A 87 4.161 18.250 9.254 1.00 51.32 N ATOM 1391 CA ASN A 87 4.690 19.084 8.153 1.00 63.44 C ATOM 1392 C ASN A 87 6.111 18.665 7.714 1.00 15.14 C ATOM 1393 O ASN A 87 6.847 19.461 7.124 1.00 44.30 O ATOM 1394 CB ASN A 87 4.683 20.568 8.554 1.00 23.45 C ATOM 1395 CG ASN A 87 3.295 21.082 8.903 1.00 2.02 C ATOM 1396 OD1 ASN A 87 3.140 21.957 9.748 1.00 72.21 O ATOM 1397 ND2 ASN A 87 2.276 20.565 8.244 1.00 62.12 N ATOM 0 H ASN A 87 3.302 17.753 9.019 1.00 51.32 H new ATOM 0 HA ASN A 87 4.030 18.930 7.299 1.00 63.44 H new ATOM 0 HB2 ASN A 87 5.343 20.711 9.410 1.00 23.45 H new ATOM 0 HB3 ASN A 87 5.089 21.162 7.735 1.00 23.45 H new ATOM 0 HD21 ASN A 87 1.328 20.892 8.432 1.00 62.12 H new ATOM 0 HD22 ASN A 87 2.436 19.838 7.546 1.00 62.12 H new ATOM 1404 N LYS A 88 6.472 17.406 7.958 1.00 41.14 N ATOM 1405 CA LYS A 88 7.812 16.901 7.624 1.00 4.14 C ATOM 1406 C LYS A 88 7.983 16.670 6.111 1.00 0.44 C ATOM 1407 O LYS A 88 8.719 17.399 5.446 1.00 73.51 O ATOM 1408 CB LYS A 88 8.096 15.599 8.386 1.00 62.12 C ATOM 1409 CG LYS A 88 8.147 15.771 9.901 1.00 15.32 C ATOM 1410 CD LYS A 88 8.478 14.461 10.610 1.00 40.20 C ATOM 1411 CE LYS A 88 8.604 14.653 12.116 1.00 23.32 C ATOM 1412 NZ LYS A 88 8.939 13.383 12.804 1.00 64.23 N ATOM 0 H LYS A 88 5.858 16.713 8.386 1.00 41.14 H new ATOM 0 HA LYS A 88 8.529 17.664 7.926 1.00 4.14 H new ATOM 0 HB2 LYS A 88 7.326 14.869 8.138 1.00 62.12 H new ATOM 0 HB3 LYS A 88 9.046 15.189 8.044 1.00 62.12 H new ATOM 0 HG2 LYS A 88 8.895 16.521 10.156 1.00 15.32 H new ATOM 0 HG3 LYS A 88 7.187 16.144 10.257 1.00 15.32 H new ATOM 0 HD2 LYS A 88 7.700 13.727 10.400 1.00 40.20 H new ATOM 0 HD3 LYS A 88 9.411 14.059 10.215 1.00 40.20 H new ATOM 0 HE2 LYS A 88 9.375 15.395 12.325 1.00 23.32 H new ATOM 0 HE3 LYS A 88 7.668 15.046 12.512 1.00 23.32 H new ATOM 0 HZ1 LYS A 88 9.017 13.552 13.827 1.00 64.23 H new ATOM 0 HZ2 LYS A 88 8.191 12.683 12.625 1.00 64.23 H new ATOM 0 HZ3 LYS A 88 9.845 13.021 12.443 1.00 64.23 H new ATOM 1426 N GLN A 89 7.288 15.656 5.578 1.00 13.54 N ATOM 1427 CA GLN A 89 7.424 15.266 4.162 1.00 72.43 C ATOM 1428 C GLN A 89 8.883 14.891 3.832 1.00 45.11 C ATOM 1429 O GLN A 89 9.668 15.724 3.374 1.00 64.03 O ATOM 1430 CB GLN A 89 6.929 16.400 3.240 1.00 4.20 C ATOM 1431 CG GLN A 89 6.875 16.040 1.754 1.00 42.25 C ATOM 1432 CD GLN A 89 5.918 14.895 1.451 1.00 4.15 C ATOM 1433 OE1 GLN A 89 4.951 14.669 2.171 1.00 50.15 O ATOM 1434 NE2 GLN A 89 6.152 14.192 0.359 1.00 60.03 N ATOM 0 H GLN A 89 6.624 15.088 6.104 1.00 13.54 H new ATOM 0 HA GLN A 89 6.804 14.386 3.989 1.00 72.43 H new ATOM 0 HB2 GLN A 89 5.933 16.703 3.563 1.00 4.20 H new ATOM 0 HB3 GLN A 89 7.582 17.264 3.367 1.00 4.20 H new ATOM 0 HG2 GLN A 89 6.573 16.919 1.184 1.00 42.25 H new ATOM 0 HG3 GLN A 89 7.875 15.769 1.415 1.00 42.25 H new ATOM 0 HE21 GLN A 89 6.965 14.404 -0.220 1.00 60.03 H new ATOM 0 HE22 GLN A 89 5.520 13.437 0.094 1.00 60.03 H new ATOM 1443 N ILE A 90 9.251 13.637 4.096 1.00 41.32 N ATOM 1444 CA ILE A 90 10.632 13.174 3.900 1.00 53.44 C ATOM 1445 C ILE A 90 10.837 12.523 2.522 1.00 11.53 C ATOM 1446 O ILE A 90 9.879 12.267 1.788 1.00 52.21 O ATOM 1447 CB ILE A 90 11.050 12.164 5.003 1.00 41.02 C ATOM 1448 CG1 ILE A 90 10.125 10.933 4.989 1.00 32.51 C ATOM 1449 CG2 ILE A 90 11.047 12.836 6.376 1.00 11.13 C ATOM 1450 CD1 ILE A 90 10.477 9.885 6.026 1.00 52.01 C ATOM 0 H ILE A 90 8.615 12.921 4.446 1.00 41.32 H new ATOM 0 HA ILE A 90 11.261 14.062 3.961 1.00 53.44 H new ATOM 0 HB ILE A 90 12.065 11.826 4.795 1.00 41.02 H new ATOM 0 HG12 ILE A 90 9.098 11.261 5.153 1.00 32.51 H new ATOM 0 HG13 ILE A 90 10.160 10.476 4.000 1.00 32.51 H new ATOM 0 HG21 ILE A 90 11.342 12.112 7.136 1.00 11.13 H new ATOM 0 HG22 ILE A 90 11.750 13.669 6.375 1.00 11.13 H new ATOM 0 HG23 ILE A 90 10.046 13.207 6.598 1.00 11.13 H new ATOM 0 HD11 ILE A 90 9.779 9.051 5.952 1.00 52.01 H new ATOM 0 HD12 ILE A 90 11.491 9.527 5.851 1.00 52.01 H new ATOM 0 HD13 ILE A 90 10.414 10.323 7.022 1.00 52.01 H new ATOM 1462 N SER A 91 12.095 12.254 2.183 1.00 44.33 N ATOM 1463 CA SER A 91 12.441 11.623 0.903 1.00 24.52 C ATOM 1464 C SER A 91 12.089 10.128 0.906 1.00 41.43 C ATOM 1465 O SER A 91 12.179 9.461 1.937 1.00 63.21 O ATOM 1466 CB SER A 91 13.937 11.796 0.602 1.00 62.31 C ATOM 1467 OG SER A 91 14.277 11.260 -0.671 1.00 62.40 O ATOM 0 H SER A 91 12.898 12.462 2.777 1.00 44.33 H new ATOM 0 HA SER A 91 11.857 12.117 0.126 1.00 24.52 H new ATOM 0 HB2 SER A 91 14.196 12.854 0.633 1.00 62.31 H new ATOM 0 HB3 SER A 91 14.525 11.301 1.375 1.00 62.31 H new ATOM 0 HG SER A 91 15.235 11.387 -0.834 1.00 62.40 H new ATOM 1473 N MET A 92 11.688 9.607 -0.256 1.00 11.01 N ATOM 1474 CA MET A 92 11.355 8.181 -0.401 1.00 23.12 C ATOM 1475 C MET A 92 12.487 7.272 0.125 1.00 1.03 C ATOM 1476 O MET A 92 12.236 6.169 0.613 1.00 14.32 O ATOM 1477 CB MET A 92 11.046 7.854 -1.872 1.00 44.31 C ATOM 1478 CG MET A 92 12.196 8.150 -2.831 1.00 1.40 C ATOM 1479 SD MET A 92 11.789 7.788 -4.553 1.00 44.25 S ATOM 1480 CE MET A 92 11.457 6.027 -4.474 1.00 10.23 C ATOM 0 H MET A 92 11.585 10.149 -1.114 1.00 11.01 H new ATOM 0 HA MET A 92 10.469 7.985 0.203 1.00 23.12 H new ATOM 0 HB2 MET A 92 10.784 6.799 -1.951 1.00 44.31 H new ATOM 0 HB3 MET A 92 10.171 8.424 -2.184 1.00 44.31 H new ATOM 0 HG2 MET A 92 12.475 9.200 -2.742 1.00 1.40 H new ATOM 0 HG3 MET A 92 13.067 7.563 -2.538 1.00 1.40 H new ATOM 0 HE1 MET A 92 11.507 5.602 -5.476 1.00 10.23 H new ATOM 0 HE2 MET A 92 12.199 5.545 -3.838 1.00 10.23 H new ATOM 0 HE3 MET A 92 10.462 5.863 -4.060 1.00 10.23 H new ATOM 1490 N ALA A 93 13.727 7.754 0.035 1.00 61.34 N ATOM 1491 CA ALA A 93 14.888 7.013 0.543 1.00 21.43 C ATOM 1492 C ALA A 93 14.839 6.863 2.072 1.00 52.24 C ATOM 1493 O ALA A 93 15.229 5.829 2.619 1.00 33.11 O ATOM 1494 CB ALA A 93 16.174 7.711 0.120 1.00 53.01 C ATOM 0 H ALA A 93 13.956 8.655 -0.385 1.00 61.34 H new ATOM 0 HA ALA A 93 14.863 6.011 0.114 1.00 21.43 H new ATOM 0 HB1 ALA A 93 17.031 7.156 0.500 1.00 53.01 H new ATOM 0 HB2 ALA A 93 16.223 7.754 -0.968 1.00 53.01 H new ATOM 0 HB3 ALA A 93 16.189 8.723 0.525 1.00 53.01 H new ATOM 1500 N GLU A 94 14.353 7.898 2.752 1.00 10.41 N ATOM 1501 CA GLU A 94 14.205 7.870 4.210 1.00 75.02 C ATOM 1502 C GLU A 94 13.063 6.933 4.623 1.00 54.11 C ATOM 1503 O GLU A 94 13.162 6.207 5.614 1.00 30.45 O ATOM 1504 CB GLU A 94 13.937 9.286 4.740 1.00 3.40 C ATOM 1505 CG GLU A 94 15.037 10.288 4.408 1.00 10.50 C ATOM 1506 CD GLU A 94 14.706 11.696 4.875 1.00 12.40 C ATOM 1507 OE1 GLU A 94 14.825 11.969 6.086 1.00 42.23 O ATOM 1508 OE2 GLU A 94 14.328 12.536 4.033 1.00 23.45 O ATOM 0 H GLU A 94 14.053 8.771 2.318 1.00 10.41 H new ATOM 0 HA GLU A 94 15.133 7.495 4.641 1.00 75.02 H new ATOM 0 HB2 GLU A 94 12.995 9.646 4.327 1.00 3.40 H new ATOM 0 HB3 GLU A 94 13.814 9.241 5.822 1.00 3.40 H new ATOM 0 HG2 GLU A 94 15.969 9.965 4.872 1.00 10.50 H new ATOM 0 HG3 GLU A 94 15.203 10.296 3.331 1.00 10.50 H new ATOM 1515 N ALA A 95 11.978 6.950 3.847 1.00 62.54 N ATOM 1516 CA ALA A 95 10.845 6.043 4.073 1.00 44.41 C ATOM 1517 C ALA A 95 11.287 4.571 4.016 1.00 72.51 C ATOM 1518 O ALA A 95 10.793 3.726 4.768 1.00 70.11 O ATOM 1519 CB ALA A 95 9.746 6.313 3.052 1.00 61.45 C ATOM 0 H ALA A 95 11.857 7.581 3.055 1.00 62.54 H new ATOM 0 HA ALA A 95 10.453 6.232 5.072 1.00 44.41 H new ATOM 0 HB1 ALA A 95 8.911 5.635 3.229 1.00 61.45 H new ATOM 0 HB2 ALA A 95 9.404 7.343 3.149 1.00 61.45 H new ATOM 0 HB3 ALA A 95 10.136 6.154 2.047 1.00 61.45 H new ATOM 1525 N GLN A 96 12.236 4.279 3.127 1.00 12.22 N ATOM 1526 CA GLN A 96 12.820 2.933 3.016 1.00 41.21 C ATOM 1527 C GLN A 96 13.538 2.504 4.308 1.00 72.32 C ATOM 1528 O GLN A 96 13.843 1.324 4.498 1.00 63.53 O ATOM 1529 CB GLN A 96 13.795 2.881 1.829 1.00 41.41 C ATOM 1530 CG GLN A 96 13.104 2.903 0.470 1.00 70.23 C ATOM 1531 CD GLN A 96 12.344 1.618 0.186 1.00 12.25 C ATOM 1532 OE1 GLN A 96 12.874 0.689 -0.411 1.00 22.44 O ATOM 1533 NE2 GLN A 96 11.103 1.546 0.624 1.00 11.04 N ATOM 0 H GLN A 96 12.621 4.956 2.469 1.00 12.22 H new ATOM 0 HA GLN A 96 12.001 2.233 2.850 1.00 41.21 H new ATOM 0 HB2 GLN A 96 14.478 3.728 1.894 1.00 41.41 H new ATOM 0 HB3 GLN A 96 14.399 1.977 1.905 1.00 41.41 H new ATOM 0 HG2 GLN A 96 12.415 3.746 0.430 1.00 70.23 H new ATOM 0 HG3 GLN A 96 13.848 3.062 -0.310 1.00 70.23 H new ATOM 0 HE21 GLN A 96 10.690 2.337 1.118 1.00 11.04 H new ATOM 0 HE22 GLN A 96 10.556 0.699 0.469 1.00 11.04 H new ATOM 1542 N GLY A 97 13.811 3.464 5.190 1.00 61.11 N ATOM 1543 CA GLY A 97 14.396 3.145 6.487 1.00 30.34 C ATOM 1544 C GLY A 97 13.419 2.421 7.413 1.00 45.50 C ATOM 1545 O GLY A 97 13.833 1.667 8.298 1.00 3.34 O ATOM 0 H GLY A 97 13.638 4.457 5.032 1.00 61.11 H new ATOM 0 HA2 GLY A 97 15.279 2.523 6.340 1.00 30.34 H new ATOM 0 HA3 GLY A 97 14.730 4.065 6.966 1.00 30.34 H new ATOM 1549 N LYS A 98 12.119 2.649 7.209 1.00 10.31 N ATOM 1550 CA LYS A 98 11.078 2.005 8.022 1.00 43.22 C ATOM 1551 C LYS A 98 10.375 0.885 7.224 1.00 63.10 C ATOM 1552 O LYS A 98 10.026 -0.161 7.775 1.00 42.22 O ATOM 1553 CB LYS A 98 10.050 3.059 8.502 1.00 63.01 C ATOM 1554 CG LYS A 98 9.365 2.737 9.839 1.00 55.33 C ATOM 1555 CD LYS A 98 8.464 1.505 9.762 1.00 23.20 C ATOM 1556 CE LYS A 98 7.824 1.178 11.110 1.00 20.32 C ATOM 1557 NZ LYS A 98 7.014 -0.072 11.057 1.00 52.50 N ATOM 0 H LYS A 98 11.760 3.275 6.488 1.00 10.31 H new ATOM 0 HA LYS A 98 11.549 1.553 8.895 1.00 43.22 H new ATOM 0 HB2 LYS A 98 10.554 4.021 8.592 1.00 63.01 H new ATOM 0 HB3 LYS A 98 9.283 3.171 7.736 1.00 63.01 H new ATOM 0 HG2 LYS A 98 10.126 2.577 10.603 1.00 55.33 H new ATOM 0 HG3 LYS A 98 8.772 3.596 10.154 1.00 55.33 H new ATOM 0 HD2 LYS A 98 7.682 1.673 9.021 1.00 23.20 H new ATOM 0 HD3 LYS A 98 9.048 0.650 9.421 1.00 23.20 H new ATOM 0 HE2 LYS A 98 8.603 1.073 11.865 1.00 20.32 H new ATOM 0 HE3 LYS A 98 7.189 2.008 11.420 1.00 20.32 H new ATOM 0 HZ1 LYS A 98 6.811 -0.395 12.024 1.00 52.50 H new ATOM 0 HZ2 LYS A 98 6.120 0.114 10.559 1.00 52.50 H new ATOM 0 HZ3 LYS A 98 7.545 -0.809 10.550 1.00 52.50 H new ATOM 1571 N PHE A 99 10.183 1.099 5.917 1.00 5.33 N ATOM 1572 CA PHE A 99 9.470 0.126 5.068 1.00 43.12 C ATOM 1573 C PHE A 99 10.332 -0.373 3.883 1.00 64.41 C ATOM 1574 O PHE A 99 9.991 -0.137 2.718 1.00 34.12 O ATOM 1575 CB PHE A 99 8.177 0.754 4.526 1.00 3.41 C ATOM 1576 CG PHE A 99 7.264 1.297 5.595 1.00 52.11 C ATOM 1577 CD1 PHE A 99 6.510 0.440 6.383 1.00 13.45 C ATOM 1578 CD2 PHE A 99 7.163 2.665 5.814 1.00 13.54 C ATOM 1579 CE1 PHE A 99 5.675 0.934 7.364 1.00 20.04 C ATOM 1580 CE2 PHE A 99 6.329 3.163 6.795 1.00 0.51 C ATOM 1581 CZ PHE A 99 5.584 2.298 7.570 1.00 2.20 C ATOM 0 H PHE A 99 10.507 1.930 5.423 1.00 5.33 H new ATOM 0 HA PHE A 99 9.241 -0.736 5.695 1.00 43.12 H new ATOM 0 HB2 PHE A 99 8.437 1.561 3.840 1.00 3.41 H new ATOM 0 HB3 PHE A 99 7.637 0.005 3.947 1.00 3.41 H new ATOM 0 HD1 PHE A 99 6.577 -0.627 6.227 1.00 13.45 H new ATOM 0 HD2 PHE A 99 7.743 3.347 5.210 1.00 13.54 H new ATOM 0 HE1 PHE A 99 5.093 0.256 7.970 1.00 20.04 H new ATOM 0 HE2 PHE A 99 6.260 4.229 6.956 1.00 0.51 H new ATOM 0 HZ PHE A 99 4.930 2.686 8.337 1.00 2.20 H new ATOM 1591 N PRO A 100 11.447 -1.088 4.152 1.00 21.50 N ATOM 1592 CA PRO A 100 12.333 -1.603 3.087 1.00 21.02 C ATOM 1593 C PRO A 100 11.683 -2.730 2.264 1.00 4.22 C ATOM 1594 O PRO A 100 12.094 -3.007 1.135 1.00 63.02 O ATOM 1595 CB PRO A 100 13.550 -2.129 3.868 1.00 33.25 C ATOM 1596 CG PRO A 100 13.007 -2.477 5.212 1.00 33.44 C ATOM 1597 CD PRO A 100 11.931 -1.460 5.496 1.00 51.40 C ATOM 0 HA PRO A 100 12.577 -0.835 2.353 1.00 21.02 H new ATOM 0 HB2 PRO A 100 13.990 -2.999 3.380 1.00 33.25 H new ATOM 0 HB3 PRO A 100 14.333 -1.374 3.939 1.00 33.25 H new ATOM 0 HG2 PRO A 100 12.601 -3.488 5.220 1.00 33.44 H new ATOM 0 HG3 PRO A 100 13.789 -2.442 5.971 1.00 33.44 H new ATOM 0 HD2 PRO A 100 11.133 -1.880 6.108 1.00 51.40 H new ATOM 0 HD3 PRO A 100 12.325 -0.598 6.034 1.00 51.40 H new ATOM 1605 N GLU A 101 10.663 -3.374 2.836 1.00 2.40 N ATOM 1606 CA GLU A 101 9.943 -4.456 2.152 1.00 2.53 C ATOM 1607 C GLU A 101 8.916 -3.903 1.153 1.00 74.34 C ATOM 1608 O GLU A 101 8.517 -4.594 0.216 1.00 73.44 O ATOM 1609 CB GLU A 101 9.228 -5.353 3.170 1.00 21.20 C ATOM 1610 CG GLU A 101 10.147 -5.959 4.222 1.00 60.13 C ATOM 1611 CD GLU A 101 9.385 -6.793 5.235 1.00 63.35 C ATOM 1612 OE1 GLU A 101 8.712 -6.201 6.108 1.00 22.42 O ATOM 1613 OE2 GLU A 101 9.432 -8.040 5.150 1.00 25.34 O ATOM 0 H GLU A 101 10.315 -3.166 3.772 1.00 2.40 H new ATOM 0 HA GLU A 101 10.681 -5.042 1.604 1.00 2.53 H new ATOM 0 HB2 GLU A 101 8.455 -4.770 3.671 1.00 21.20 H new ATOM 0 HB3 GLU A 101 8.724 -6.159 2.636 1.00 21.20 H new ATOM 0 HG2 GLU A 101 10.897 -6.580 3.733 1.00 60.13 H new ATOM 0 HG3 GLU A 101 10.681 -5.162 4.738 1.00 60.13 H new ATOM 1620 N VAL A 102 8.493 -2.654 1.359 1.00 24.24 N ATOM 1621 CA VAL A 102 7.491 -2.028 0.494 1.00 61.41 C ATOM 1622 C VAL A 102 8.153 -1.357 -0.720 1.00 55.35 C ATOM 1623 O VAL A 102 9.153 -0.643 -0.584 1.00 63.31 O ATOM 1624 CB VAL A 102 6.654 -0.978 1.268 1.00 52.34 C ATOM 1625 CG1 VAL A 102 5.599 -0.345 0.362 1.00 41.44 C ATOM 1626 CG2 VAL A 102 6.001 -1.606 2.499 1.00 31.15 C ATOM 0 H VAL A 102 8.828 -2.057 2.115 1.00 24.24 H new ATOM 0 HA VAL A 102 6.827 -2.820 0.147 1.00 61.41 H new ATOM 0 HB VAL A 102 7.329 -0.190 1.603 1.00 52.34 H new ATOM 0 HG11 VAL A 102 5.025 0.388 0.929 1.00 41.44 H new ATOM 0 HG12 VAL A 102 6.089 0.148 -0.478 1.00 41.44 H new ATOM 0 HG13 VAL A 102 4.929 -1.119 -0.013 1.00 41.44 H new ATOM 0 HG21 VAL A 102 5.419 -0.851 3.027 1.00 31.15 H new ATOM 0 HG22 VAL A 102 5.345 -2.419 2.188 1.00 31.15 H new ATOM 0 HG23 VAL A 102 6.774 -1.997 3.161 1.00 31.15 H new ATOM 1636 N VAL A 103 7.594 -1.583 -1.905 1.00 52.52 N ATOM 1637 CA VAL A 103 8.164 -1.033 -3.140 1.00 14.13 C ATOM 1638 C VAL A 103 7.621 0.375 -3.438 1.00 62.12 C ATOM 1639 O VAL A 103 6.489 0.536 -3.890 1.00 74.15 O ATOM 1640 CB VAL A 103 7.882 -1.961 -4.352 1.00 74.04 C ATOM 1641 CG1 VAL A 103 8.496 -1.392 -5.633 1.00 24.31 C ATOM 1642 CG2 VAL A 103 8.397 -3.376 -4.081 1.00 53.34 C ATOM 0 H VAL A 103 6.750 -2.140 -2.041 1.00 52.52 H new ATOM 0 HA VAL A 103 9.241 -0.966 -2.985 1.00 14.13 H new ATOM 0 HB VAL A 103 6.803 -2.014 -4.494 1.00 74.04 H new ATOM 0 HG11 VAL A 103 8.284 -2.061 -6.467 1.00 24.31 H new ATOM 0 HG12 VAL A 103 8.067 -0.411 -5.837 1.00 24.31 H new ATOM 0 HG13 VAL A 103 9.575 -1.298 -5.509 1.00 24.31 H new ATOM 0 HG21 VAL A 103 8.189 -4.010 -4.943 1.00 53.34 H new ATOM 0 HG22 VAL A 103 9.472 -3.344 -3.905 1.00 53.34 H new ATOM 0 HG23 VAL A 103 7.897 -3.783 -3.202 1.00 53.34 H new ATOM 1652 N PHE A 104 8.435 1.394 -3.177 1.00 1.43 N ATOM 1653 CA PHE A 104 8.059 2.782 -3.468 1.00 62.01 C ATOM 1654 C PHE A 104 8.437 3.166 -4.906 1.00 24.55 C ATOM 1655 O PHE A 104 9.601 3.068 -5.300 1.00 21.10 O ATOM 1656 CB PHE A 104 8.726 3.744 -2.469 1.00 44.45 C ATOM 1657 CG PHE A 104 8.162 3.672 -1.069 1.00 61.44 C ATOM 1658 CD1 PHE A 104 8.385 2.562 -0.268 1.00 33.14 C ATOM 1659 CD2 PHE A 104 7.415 4.723 -0.551 1.00 15.24 C ATOM 1660 CE1 PHE A 104 7.877 2.500 1.016 1.00 40.03 C ATOM 1661 CE2 PHE A 104 6.904 4.664 0.732 1.00 45.42 C ATOM 1662 CZ PHE A 104 7.135 3.551 1.517 1.00 11.53 C ATOM 0 H PHE A 104 9.362 1.289 -2.764 1.00 1.43 H new ATOM 0 HA PHE A 104 6.977 2.864 -3.365 1.00 62.01 H new ATOM 0 HB2 PHE A 104 9.793 3.527 -2.430 1.00 44.45 H new ATOM 0 HB3 PHE A 104 8.621 4.764 -2.839 1.00 44.45 H new ATOM 0 HD1 PHE A 104 8.963 1.735 -0.653 1.00 33.14 H new ATOM 0 HD2 PHE A 104 7.231 5.597 -1.158 1.00 15.24 H new ATOM 0 HE1 PHE A 104 8.061 1.629 1.628 1.00 40.03 H new ATOM 0 HE2 PHE A 104 6.324 5.488 1.121 1.00 45.42 H new ATOM 0 HZ PHE A 104 6.736 3.503 2.520 1.00 11.53 H new ATOM 1672 N SER A 105 7.445 3.597 -5.684 1.00 53.20 N ATOM 1673 CA SER A 105 7.663 4.006 -7.078 1.00 61.11 C ATOM 1674 C SER A 105 7.877 5.523 -7.183 1.00 61.30 C ATOM 1675 O SER A 105 7.003 6.308 -6.811 1.00 3.21 O ATOM 1676 CB SER A 105 6.468 3.593 -7.953 1.00 22.33 C ATOM 1677 OG SER A 105 6.308 2.179 -7.988 1.00 51.24 O ATOM 0 H SER A 105 6.476 3.674 -5.374 1.00 53.20 H new ATOM 0 HA SER A 105 8.562 3.502 -7.434 1.00 61.11 H new ATOM 0 HB2 SER A 105 5.558 4.053 -7.568 1.00 22.33 H new ATOM 0 HB3 SER A 105 6.611 3.969 -8.966 1.00 22.33 H new ATOM 0 HG SER A 105 5.353 1.958 -7.982 1.00 51.24 H new