USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 55 LYS NZ :NH3+ 155:sc= -1.67! (180deg=-3.66!) USER MOD Set 1.2: A 96 SER OG : rot -150:sc= 0.487 USER MOD Single : A 5 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.22) USER MOD Single : A 6 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 43:sc= -3.53! USER MOD Single : A 12 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 153:sc= -0.919 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00454 X(o=-0.0045,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.724 (180deg=-1.62!) USER MOD Single : A 23 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.011) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 88:sc= 0.288 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -6.51! USER MOD Single : A 47 SER OG : rot 143:sc= -6.01! USER MOD Single : A 56 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-1.7) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.0042) USER MOD Single : A 77 SER OG : rot 170:sc= -1.05 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= -0.0555 (180deg=-0.564) USER MOD Single : A 84 HIS : no HE2:sc= -0.864 K(o=-0.86,f=-4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.18) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 93 HIS : no HD1:sc=-0.00125 X(o=-0.0013,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 98 ASN : amide:sc= -3.57! C(o=-3.6!,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot 144:sc= 0.137 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.162 -1.661 -14.826 1.00 0.00 N ATOM 31 CA LEU A 3 93.010 -1.030 -13.483 1.00 0.00 C ATOM 32 C LEU A 3 91.871 -1.726 -12.725 1.00 0.00 C ATOM 33 O LEU A 3 90.726 -1.652 -13.124 1.00 0.00 O ATOM 34 CB LEU A 3 92.655 0.446 -13.661 1.00 0.00 C ATOM 35 CG LEU A 3 92.712 1.164 -12.315 1.00 0.00 C ATOM 36 CD1 LEU A 3 94.165 1.279 -11.856 1.00 0.00 C ATOM 37 CD2 LEU A 3 92.113 2.566 -12.469 1.00 0.00 C ATOM 0 HA LEU A 3 93.941 -1.125 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 3 93.348 0.913 -14.361 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.657 0.539 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 3 92.145 0.600 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.203 1.792 -10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.594 0.282 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.735 1.845 -12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 3 92.150 3.085 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 3 92.685 3.127 -13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 3 91.077 2.485 -12.797 1.00 0.00 H new ATOM 49 N PRO A 4 92.169 -2.379 -11.630 1.00 0.00 N ATOM 50 CA PRO A 4 91.131 -3.069 -10.814 1.00 0.00 C ATOM 51 C PRO A 4 90.018 -2.111 -10.385 1.00 0.00 C ATOM 52 O PRO A 4 89.037 -2.512 -9.793 1.00 0.00 O ATOM 53 CB PRO A 4 91.881 -3.581 -9.583 1.00 0.00 C ATOM 54 CG PRO A 4 93.333 -3.553 -9.931 1.00 0.00 C ATOM 55 CD PRO A 4 93.515 -2.540 -11.059 1.00 0.00 C ATOM 0 HA PRO A 4 90.647 -3.864 -11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 4 91.678 -2.953 -8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 4 91.563 -4.591 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.930 -3.272 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.671 -4.541 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.903 -1.593 -10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 4 94.223 -2.900 -11.806 1.00 0.00 H new ATOM 63 N HIS A 5 90.171 -0.845 -10.660 1.00 0.00 N ATOM 64 CA HIS A 5 89.127 0.133 -10.245 1.00 0.00 C ATOM 65 C HIS A 5 88.055 0.273 -11.332 1.00 0.00 C ATOM 66 O HIS A 5 87.002 0.833 -11.096 1.00 0.00 O ATOM 67 CB HIS A 5 89.783 1.488 -9.980 1.00 0.00 C ATOM 68 CG HIS A 5 90.785 1.338 -8.865 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.434 0.837 -7.620 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.129 1.610 -8.792 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.546 0.820 -6.861 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.606 1.281 -7.526 1.00 0.00 N ATOM 0 H HIS A 5 90.971 -0.447 -11.152 1.00 0.00 H new ATOM 0 HA HIS A 5 88.646 -0.226 -9.335 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.275 1.851 -10.882 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.027 2.226 -9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.726 2.017 -9.595 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.576 0.475 -5.838 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.562 1.373 -7.181 1.00 0.00 H new ATOM 80 N HIS A 6 88.295 -0.231 -12.516 1.00 0.00 N ATOM 81 CA HIS A 6 87.258 -0.114 -13.585 1.00 0.00 C ATOM 82 C HIS A 6 85.985 -0.837 -13.126 1.00 0.00 C ATOM 83 O HIS A 6 84.884 -0.370 -13.335 1.00 0.00 O ATOM 84 CB HIS A 6 87.762 -0.755 -14.884 1.00 0.00 C ATOM 85 CG HIS A 6 88.786 0.135 -15.539 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.468 1.384 -16.055 1.00 0.00 N ATOM 87 CD2 HIS A 6 90.127 -0.039 -15.782 1.00 0.00 C ATOM 88 CE1 HIS A 6 89.596 1.907 -16.576 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.636 1.081 -16.434 1.00 0.00 N ATOM 0 H HIS A 6 89.153 -0.712 -12.786 1.00 0.00 H new ATOM 0 HA HIS A 6 87.048 0.940 -13.768 1.00 0.00 H new ATOM 0 HB2 HIS A 6 88.200 -1.730 -14.671 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.927 -0.922 -15.564 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.700 -0.913 -15.509 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.652 2.876 -17.050 1.00 0.00 H new ATOM 0 HE2 HIS A 6 91.597 1.237 -16.738 1.00 0.00 H new ATOM 97 N ASP A 7 86.132 -1.976 -12.500 1.00 0.00 N ATOM 98 CA ASP A 7 84.942 -2.733 -12.021 1.00 0.00 C ATOM 99 C ASP A 7 84.879 -2.660 -10.493 1.00 0.00 C ATOM 100 O ASP A 7 85.855 -2.910 -9.812 1.00 0.00 O ATOM 101 CB ASP A 7 85.062 -4.190 -12.466 1.00 0.00 C ATOM 102 CG ASP A 7 84.982 -4.264 -13.994 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.249 -3.474 -14.566 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.658 -5.103 -14.565 1.00 0.00 O ATOM 0 H ASP A 7 87.031 -2.415 -12.300 1.00 0.00 H new ATOM 0 HA ASP A 7 84.033 -2.301 -12.440 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.006 -4.611 -12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.265 -4.785 -12.020 1.00 0.00 H new ATOM 109 N GLU A 8 83.746 -2.311 -9.944 1.00 0.00 N ATOM 110 CA GLU A 8 83.651 -2.212 -8.461 1.00 0.00 C ATOM 111 C GLU A 8 83.630 -3.606 -7.837 1.00 0.00 C ATOM 112 O GLU A 8 83.713 -3.758 -6.637 1.00 0.00 O ATOM 113 CB GLU A 8 82.404 -1.408 -8.066 1.00 0.00 C ATOM 114 CG GLU A 8 81.139 -2.259 -8.198 1.00 0.00 C ATOM 115 CD GLU A 8 80.842 -2.518 -9.675 1.00 0.00 C ATOM 116 OE1 GLU A 8 81.117 -1.642 -10.477 1.00 0.00 O ATOM 117 OE2 GLU A 8 80.343 -3.590 -9.978 1.00 0.00 O ATOM 0 H GLU A 8 82.890 -2.092 -10.454 1.00 0.00 H new ATOM 0 HA GLU A 8 84.528 -1.688 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 8 82.504 -1.056 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 8 82.320 -0.525 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.269 -3.205 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 80.296 -1.749 -7.732 1.00 0.00 H new ATOM 124 N LYS A 9 83.540 -4.623 -8.640 1.00 0.00 N ATOM 125 CA LYS A 9 83.523 -6.012 -8.099 1.00 0.00 C ATOM 126 C LYS A 9 84.819 -6.293 -7.331 1.00 0.00 C ATOM 127 O LYS A 9 84.825 -6.992 -6.336 1.00 0.00 O ATOM 128 CB LYS A 9 83.444 -6.987 -9.267 1.00 0.00 C ATOM 129 CG LYS A 9 84.797 -6.979 -9.979 1.00 0.00 C ATOM 130 CD LYS A 9 84.691 -7.692 -11.325 1.00 0.00 C ATOM 131 CE LYS A 9 85.873 -7.274 -12.201 1.00 0.00 C ATOM 132 NZ LYS A 9 86.427 -8.471 -12.894 1.00 0.00 N ATOM 0 H LYS A 9 83.477 -4.555 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 9 82.668 -6.127 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.206 -7.990 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 9 82.650 -6.696 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 9 85.131 -5.952 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 9 85.546 -7.470 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.692 -8.772 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.751 -7.437 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.552 -6.533 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 9 86.644 -6.805 -11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 87.231 -8.186 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 86.748 -9.164 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 85.690 -8.900 -13.489 1.00 0.00 H new ATOM 146 N THR A 10 85.918 -5.771 -7.796 1.00 0.00 N ATOM 147 CA THR A 10 87.218 -6.023 -7.112 1.00 0.00 C ATOM 148 C THR A 10 87.187 -5.479 -5.680 1.00 0.00 C ATOM 149 O THR A 10 87.814 -6.021 -4.788 1.00 0.00 O ATOM 150 CB THR A 10 88.338 -5.363 -7.921 1.00 0.00 C ATOM 151 OG1 THR A 10 88.023 -3.995 -8.143 1.00 0.00 O ATOM 152 CG2 THR A 10 88.485 -6.082 -9.263 1.00 0.00 C ATOM 0 H THR A 10 85.973 -5.178 -8.624 1.00 0.00 H new ATOM 0 HA THR A 10 87.399 -7.096 -7.053 1.00 0.00 H new ATOM 0 HB THR A 10 89.275 -5.430 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.670 -3.603 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 10 89.282 -5.614 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.730 -7.130 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.548 -6.015 -9.816 1.00 0.00 H new ATOM 160 N TRP A 11 86.468 -4.421 -5.444 1.00 0.00 N ATOM 161 CA TRP A 11 86.410 -3.866 -4.063 1.00 0.00 C ATOM 162 C TRP A 11 84.963 -3.836 -3.558 1.00 0.00 C ATOM 163 O TRP A 11 84.712 -3.621 -2.393 1.00 0.00 O ATOM 164 CB TRP A 11 86.981 -2.446 -4.050 1.00 0.00 C ATOM 165 CG TRP A 11 86.955 -1.863 -5.430 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.789 -2.217 -6.429 1.00 0.00 C ATOM 167 CD2 TRP A 11 86.082 -0.831 -5.974 1.00 0.00 C ATOM 168 NE1 TRP A 11 87.470 -1.495 -7.563 1.00 0.00 N ATOM 169 CE2 TRP A 11 86.430 -0.615 -7.329 1.00 0.00 C ATOM 170 CE3 TRP A 11 85.030 -0.075 -5.429 1.00 0.00 C ATOM 171 CZ2 TRP A 11 85.753 0.321 -8.115 1.00 0.00 C ATOM 172 CZ3 TRP A 11 84.348 0.867 -6.216 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.710 1.064 -7.556 1.00 0.00 C ATOM 0 H TRP A 11 85.920 -3.917 -6.142 1.00 0.00 H new ATOM 0 HA TRP A 11 87.002 -4.505 -3.408 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.401 -1.820 -3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 11 88.004 -2.461 -3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.580 -2.948 -6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.943 -1.598 -8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.744 -0.220 -4.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 86.034 0.469 -9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.541 1.442 -5.787 1.00 0.00 H new ATOM 0 HH2 TRP A 11 84.182 1.790 -8.156 1.00 0.00 H new ATOM 184 N ASN A 12 84.010 -4.031 -4.422 1.00 0.00 N ATOM 185 CA ASN A 12 82.584 -3.984 -3.980 1.00 0.00 C ATOM 186 C ASN A 12 82.103 -5.360 -3.512 1.00 0.00 C ATOM 187 O ASN A 12 82.022 -6.297 -4.283 1.00 0.00 O ATOM 188 CB ASN A 12 81.725 -3.535 -5.155 1.00 0.00 C ATOM 189 CG ASN A 12 80.293 -3.277 -4.687 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.054 -3.043 -3.519 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.322 -3.311 -5.560 1.00 0.00 N ATOM 0 H ASN A 12 84.152 -4.221 -5.414 1.00 0.00 H new ATOM 0 HA ASN A 12 82.500 -3.288 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 12 82.141 -2.629 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.730 -4.299 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.362 -3.141 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.524 -3.508 -6.540 1.00 0.00 H new ATOM 198 N VAL A 13 81.754 -5.477 -2.259 1.00 0.00 N ATOM 199 CA VAL A 13 81.247 -6.779 -1.740 1.00 0.00 C ATOM 200 C VAL A 13 80.085 -6.509 -0.776 1.00 0.00 C ATOM 201 O VAL A 13 79.861 -7.225 0.178 1.00 0.00 O ATOM 202 CB VAL A 13 82.378 -7.527 -1.034 1.00 0.00 C ATOM 203 CG1 VAL A 13 82.716 -6.846 0.295 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.952 -8.976 -0.780 1.00 0.00 C ATOM 0 H VAL A 13 81.798 -4.725 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 13 80.890 -7.400 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 13 83.264 -7.514 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.523 -7.389 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.031 -5.819 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.835 -6.844 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.758 -9.509 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 13 81.061 -8.989 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.733 -9.463 -1.730 1.00 0.00 H new ATOM 214 N GLY A 14 79.345 -5.466 -1.022 1.00 0.00 N ATOM 215 CA GLY A 14 78.198 -5.127 -0.134 1.00 0.00 C ATOM 216 C GLY A 14 77.415 -6.394 0.232 1.00 0.00 C ATOM 217 O GLY A 14 76.719 -6.435 1.227 1.00 0.00 O ATOM 0 H GLY A 14 79.486 -4.829 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.562 -4.642 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.540 -4.416 -0.634 1.00 0.00 H new ATOM 221 N SER A 15 77.520 -7.428 -0.559 1.00 0.00 N ATOM 222 CA SER A 15 76.774 -8.684 -0.249 1.00 0.00 C ATOM 223 C SER A 15 77.342 -9.335 1.013 1.00 0.00 C ATOM 224 O SER A 15 76.623 -9.911 1.805 1.00 0.00 O ATOM 225 CB SER A 15 76.912 -9.666 -1.411 1.00 0.00 C ATOM 226 OG SER A 15 76.212 -9.164 -2.541 1.00 0.00 O ATOM 0 H SER A 15 78.089 -7.458 -1.405 1.00 0.00 H new ATOM 0 HA SER A 15 75.724 -8.436 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 15 77.964 -9.810 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.514 -10.640 -1.127 1.00 0.00 H new ATOM 0 HG SER A 15 76.302 -9.793 -3.287 1.00 0.00 H new ATOM 232 N SER A 16 78.630 -9.265 1.195 1.00 0.00 N ATOM 233 CA SER A 16 79.247 -9.899 2.392 1.00 0.00 C ATOM 234 C SER A 16 78.777 -9.191 3.664 1.00 0.00 C ATOM 235 O SER A 16 78.532 -8.001 3.675 1.00 0.00 O ATOM 236 CB SER A 16 80.769 -9.795 2.284 1.00 0.00 C ATOM 237 OG SER A 16 81.362 -10.383 3.434 1.00 0.00 O ATOM 0 H SER A 16 79.282 -8.796 0.567 1.00 0.00 H new ATOM 0 HA SER A 16 78.948 -10.946 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 16 81.117 -10.300 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.069 -8.750 2.200 1.00 0.00 H new ATOM 0 HG SER A 16 82.257 -10.712 3.208 1.00 0.00 H new ATOM 243 N ASN A 17 78.658 -9.923 4.741 1.00 0.00 N ATOM 244 CA ASN A 17 78.216 -9.307 6.022 1.00 0.00 C ATOM 245 C ASN A 17 79.440 -8.751 6.747 1.00 0.00 C ATOM 246 O ASN A 17 80.565 -9.084 6.430 1.00 0.00 O ATOM 247 CB ASN A 17 77.531 -10.362 6.897 1.00 0.00 C ATOM 248 CG ASN A 17 76.259 -10.853 6.204 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.364 -10.078 5.930 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.143 -12.117 5.901 1.00 0.00 N ATOM 0 H ASN A 17 78.849 -10.924 4.786 1.00 0.00 H new ATOM 0 HA ASN A 17 77.507 -8.504 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.208 -11.198 7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.287 -9.939 7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.301 -12.454 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.894 -12.768 6.131 1.00 0.00 H new ATOM 257 N ARG A 18 79.237 -7.898 7.712 1.00 0.00 N ATOM 258 CA ARG A 18 80.400 -7.318 8.437 1.00 0.00 C ATOM 259 C ARG A 18 81.211 -8.439 9.097 1.00 0.00 C ATOM 260 O ARG A 18 82.426 -8.420 9.088 1.00 0.00 O ATOM 261 CB ARG A 18 79.895 -6.347 9.507 1.00 0.00 C ATOM 262 CG ARG A 18 79.328 -5.095 8.832 1.00 0.00 C ATOM 263 CD ARG A 18 78.784 -4.145 9.903 1.00 0.00 C ATOM 264 NE ARG A 18 79.906 -3.683 10.767 1.00 0.00 N ATOM 265 CZ ARG A 18 79.745 -2.669 11.573 1.00 0.00 C ATOM 266 NH1 ARG A 18 78.602 -2.037 11.615 1.00 0.00 N ATOM 267 NH2 ARG A 18 80.733 -2.283 12.336 1.00 0.00 N ATOM 0 H ARG A 18 78.321 -7.579 8.028 1.00 0.00 H new ATOM 0 HA ARG A 18 81.038 -6.785 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.127 -6.826 10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 18 80.709 -6.074 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.104 -4.599 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.535 -5.370 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 18 78.296 -3.291 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 18 78.030 -4.652 10.506 1.00 0.00 H new ATOM 0 HE ARG A 18 80.806 -4.162 10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 18 77.832 -2.336 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.480 -1.245 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 18 81.627 -2.774 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.611 -1.491 12.967 1.00 0.00 H new ATOM 281 N ASN A 19 80.557 -9.418 9.665 1.00 0.00 N ATOM 282 CA ASN A 19 81.311 -10.531 10.315 1.00 0.00 C ATOM 283 C ASN A 19 82.194 -11.226 9.275 1.00 0.00 C ATOM 284 O ASN A 19 83.349 -11.522 9.523 1.00 0.00 O ATOM 285 CB ASN A 19 80.323 -11.531 10.920 1.00 0.00 C ATOM 286 CG ASN A 19 79.801 -10.972 12.245 1.00 0.00 C ATOM 287 OD1 ASN A 19 78.669 -10.541 12.332 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.585 -10.959 13.288 1.00 0.00 N ATOM 0 H ASN A 19 79.541 -9.496 9.707 1.00 0.00 H new ATOM 0 HA ASN A 19 81.944 -10.132 11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.495 -11.706 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.811 -12.492 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 19 80.247 -10.587 14.176 1.00 0.00 H new ATOM 0 HD22 ASN A 19 81.536 -11.321 13.216 1.00 0.00 H new ATOM 295 N LYS A 20 81.673 -11.464 8.102 1.00 0.00 N ATOM 296 CA LYS A 20 82.499 -12.112 7.049 1.00 0.00 C ATOM 297 C LYS A 20 83.638 -11.168 6.680 1.00 0.00 C ATOM 298 O LYS A 20 84.705 -11.586 6.275 1.00 0.00 O ATOM 299 CB LYS A 20 81.648 -12.397 5.811 1.00 0.00 C ATOM 300 CG LYS A 20 82.502 -13.133 4.780 1.00 0.00 C ATOM 301 CD LYS A 20 81.639 -13.529 3.582 1.00 0.00 C ATOM 302 CE LYS A 20 82.389 -14.563 2.744 1.00 0.00 C ATOM 303 NZ LYS A 20 83.849 -14.273 2.803 1.00 0.00 N ATOM 0 H LYS A 20 80.716 -11.238 7.830 1.00 0.00 H new ATOM 0 HA LYS A 20 82.896 -13.056 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.781 -13.000 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.270 -11.465 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 20 83.324 -12.496 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.946 -14.021 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.689 -13.939 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.409 -12.651 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 82.190 -15.567 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.041 -14.534 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 84.338 -14.798 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 84.006 -13.253 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 84.224 -14.565 3.728 1.00 0.00 H new ATOM 317 N ALA A 21 83.415 -9.890 6.821 1.00 0.00 N ATOM 318 CA ALA A 21 84.478 -8.909 6.481 1.00 0.00 C ATOM 319 C ALA A 21 85.714 -9.205 7.331 1.00 0.00 C ATOM 320 O ALA A 21 86.829 -9.173 6.851 1.00 0.00 O ATOM 321 CB ALA A 21 83.979 -7.488 6.768 1.00 0.00 C ATOM 0 H ALA A 21 82.541 -9.485 7.157 1.00 0.00 H new ATOM 0 HA ALA A 21 84.731 -8.988 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.760 -6.770 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.093 -7.285 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.728 -7.397 7.825 1.00 0.00 H new ATOM 327 N GLU A 22 85.529 -9.506 8.589 1.00 0.00 N ATOM 328 CA GLU A 22 86.701 -9.816 9.452 1.00 0.00 C ATOM 329 C GLU A 22 87.410 -11.042 8.878 1.00 0.00 C ATOM 330 O GLU A 22 88.614 -11.071 8.748 1.00 0.00 O ATOM 331 CB GLU A 22 86.229 -10.113 10.876 1.00 0.00 C ATOM 332 CG GLU A 22 85.723 -8.822 11.525 1.00 0.00 C ATOM 333 CD GLU A 22 85.138 -9.139 12.903 1.00 0.00 C ATOM 334 OE1 GLU A 22 84.926 -10.308 13.179 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.910 -8.206 13.656 1.00 0.00 O ATOM 0 H GLU A 22 84.621 -9.550 9.052 1.00 0.00 H new ATOM 0 HA GLU A 22 87.383 -8.966 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.435 -10.860 10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.047 -10.531 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.539 -8.106 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.965 -8.358 10.894 1.00 0.00 H new ATOM 342 N ASN A 23 86.665 -12.047 8.507 1.00 0.00 N ATOM 343 CA ASN A 23 87.293 -13.254 7.917 1.00 0.00 C ATOM 344 C ASN A 23 88.027 -12.818 6.652 1.00 0.00 C ATOM 345 O ASN A 23 89.168 -13.165 6.425 1.00 0.00 O ATOM 346 CB ASN A 23 86.213 -14.279 7.553 1.00 0.00 C ATOM 347 CG ASN A 23 85.578 -14.837 8.831 1.00 0.00 C ATOM 348 OD1 ASN A 23 84.621 -15.583 8.770 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.074 -14.506 9.991 1.00 0.00 N ATOM 0 H ASN A 23 85.649 -12.081 8.589 1.00 0.00 H new ATOM 0 HA ASN A 23 87.981 -13.712 8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.450 -13.812 6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.649 -15.089 6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 23 85.658 -14.873 10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 23 86.877 -13.880 10.042 1.00 0.00 H new ATOM 356 N LEU A 24 87.376 -12.030 5.837 1.00 0.00 N ATOM 357 CA LEU A 24 88.026 -11.540 4.594 1.00 0.00 C ATOM 358 C LEU A 24 89.227 -10.680 4.970 1.00 0.00 C ATOM 359 O LEU A 24 90.268 -10.755 4.354 1.00 0.00 O ATOM 360 CB LEU A 24 87.033 -10.697 3.791 1.00 0.00 C ATOM 361 CG LEU A 24 85.969 -11.602 3.164 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.873 -10.738 2.538 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.616 -12.466 2.079 1.00 0.00 C ATOM 0 H LEU A 24 86.420 -11.706 5.982 1.00 0.00 H new ATOM 0 HA LEU A 24 88.348 -12.389 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.560 -9.960 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.558 -10.145 3.012 1.00 0.00 H new ATOM 0 HG LEU A 24 85.535 -12.243 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.114 -11.380 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.415 -10.117 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.308 -10.100 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.861 -13.112 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.047 -11.824 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.401 -13.079 2.522 1.00 0.00 H new ATOM 375 N LEU A 25 89.097 -9.870 5.987 1.00 0.00 N ATOM 376 CA LEU A 25 90.248 -9.018 6.401 1.00 0.00 C ATOM 377 C LEU A 25 91.298 -9.907 7.057 1.00 0.00 C ATOM 378 O LEU A 25 92.484 -9.659 6.978 1.00 0.00 O ATOM 379 CB LEU A 25 89.775 -7.957 7.398 1.00 0.00 C ATOM 380 CG LEU A 25 88.958 -6.890 6.655 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.783 -6.419 7.521 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.861 -5.692 6.336 1.00 0.00 C ATOM 0 H LEU A 25 88.250 -9.762 6.545 1.00 0.00 H new ATOM 0 HA LEU A 25 90.673 -8.518 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.168 -8.419 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.632 -7.497 7.891 1.00 0.00 H new ATOM 0 HG LEU A 25 88.569 -7.322 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.213 -5.663 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.136 -7.266 7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.163 -5.993 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 25 89.285 -4.932 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.251 -5.273 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.691 -6.018 5.709 1.00 0.00 H new ATOM 394 N ARG A 26 90.855 -10.945 7.710 1.00 0.00 N ATOM 395 CA ARG A 26 91.791 -11.875 8.384 1.00 0.00 C ATOM 396 C ARG A 26 92.602 -12.637 7.334 1.00 0.00 C ATOM 397 O ARG A 26 92.064 -13.157 6.378 1.00 0.00 O ATOM 398 CB ARG A 26 90.969 -12.860 9.214 1.00 0.00 C ATOM 399 CG ARG A 26 90.801 -12.361 10.656 1.00 0.00 C ATOM 400 CD ARG A 26 90.759 -10.829 10.715 1.00 0.00 C ATOM 401 NE ARG A 26 92.136 -10.287 10.946 1.00 0.00 N ATOM 402 CZ ARG A 26 92.857 -10.672 11.963 1.00 0.00 C ATOM 403 NH1 ARG A 26 92.347 -11.442 12.883 1.00 0.00 N ATOM 404 NH2 ARG A 26 94.089 -10.252 12.075 1.00 0.00 N ATOM 0 H ARG A 26 89.869 -11.188 7.804 1.00 0.00 H new ATOM 0 HA ARG A 26 92.477 -11.322 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 26 89.989 -12.997 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.458 -13.834 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 26 89.883 -12.769 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 26 91.625 -12.728 11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 26 90.355 -10.432 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.093 -10.506 11.515 1.00 0.00 H new ATOM 0 HE ARG A 26 92.518 -9.602 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 26 91.377 -11.748 12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 26 92.918 -11.738 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 26 94.481 -9.627 11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 26 94.659 -10.549 12.867 1.00 0.00 H new ATOM 418 N GLY A 27 93.893 -12.710 7.507 1.00 0.00 N ATOM 419 CA GLY A 27 94.734 -13.441 6.519 1.00 0.00 C ATOM 420 C GLY A 27 95.032 -12.531 5.325 1.00 0.00 C ATOM 421 O GLY A 27 95.555 -12.966 4.319 1.00 0.00 O ATOM 0 H GLY A 27 94.401 -12.296 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.665 -13.762 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.219 -14.341 6.183 1.00 0.00 H new ATOM 425 N LYS A 28 94.709 -11.271 5.425 1.00 0.00 N ATOM 426 CA LYS A 28 94.985 -10.339 4.297 1.00 0.00 C ATOM 427 C LYS A 28 96.123 -9.401 4.681 1.00 0.00 C ATOM 428 O LYS A 28 96.137 -8.831 5.755 1.00 0.00 O ATOM 429 CB LYS A 28 93.745 -9.502 3.980 1.00 0.00 C ATOM 430 CG LYS A 28 92.661 -10.383 3.357 1.00 0.00 C ATOM 431 CD LYS A 28 93.172 -10.984 2.045 1.00 0.00 C ATOM 432 CE LYS A 28 91.995 -11.222 1.097 1.00 0.00 C ATOM 433 NZ LYS A 28 92.496 -11.778 -0.190 1.00 0.00 N ATOM 0 H LYS A 28 94.266 -10.847 6.240 1.00 0.00 H new ATOM 0 HA LYS A 28 95.258 -10.926 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.368 -9.037 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.007 -8.695 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.384 -11.179 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.763 -9.794 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.895 -10.312 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.690 -11.923 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.283 -11.912 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.464 -10.287 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.695 -11.939 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.159 -11.105 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.984 -12.679 -0.012 1.00 0.00 H new ATOM 447 N ARG A 29 97.071 -9.226 3.811 1.00 0.00 N ATOM 448 CA ARG A 29 98.202 -8.315 4.123 1.00 0.00 C ATOM 449 C ARG A 29 97.736 -6.863 3.994 1.00 0.00 C ATOM 450 O ARG A 29 96.664 -6.584 3.499 1.00 0.00 O ATOM 451 CB ARG A 29 99.357 -8.570 3.153 1.00 0.00 C ATOM 452 CG ARG A 29 98.936 -8.199 1.733 1.00 0.00 C ATOM 453 CD ARG A 29 100.031 -8.630 0.758 1.00 0.00 C ATOM 454 NE ARG A 29 100.153 -10.112 0.777 1.00 0.00 N ATOM 455 CZ ARG A 29 100.773 -10.724 -0.193 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.263 -10.036 -1.185 1.00 0.00 N ATOM 457 NH2 ARG A 29 100.898 -12.022 -0.169 1.00 0.00 N ATOM 0 H ARG A 29 97.113 -9.674 2.896 1.00 0.00 H new ATOM 0 HA ARG A 29 98.543 -8.500 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 29 100.227 -7.984 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.651 -9.619 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 29 97.994 -8.687 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.768 -7.125 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.793 -8.286 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 29 100.981 -8.172 1.035 1.00 0.00 H new ATOM 0 HE ARG A 29 99.753 -10.648 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.161 -9.021 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.749 -10.512 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 29 100.511 -12.557 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 29 101.383 -12.502 -0.927 1.00 0.00 H new ATOM 471 N ASP A 30 98.537 -5.944 4.447 1.00 0.00 N ATOM 472 CA ASP A 30 98.162 -4.502 4.373 1.00 0.00 C ATOM 473 C ASP A 30 97.922 -4.089 2.919 1.00 0.00 C ATOM 474 O ASP A 30 98.622 -4.505 2.018 1.00 0.00 O ATOM 475 CB ASP A 30 99.302 -3.671 4.958 1.00 0.00 C ATOM 476 CG ASP A 30 98.855 -2.217 5.102 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.826 -1.877 4.543 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.548 -1.469 5.773 1.00 0.00 O ATOM 0 H ASP A 30 99.446 -6.129 4.871 1.00 0.00 H new ATOM 0 HA ASP A 30 97.245 -4.335 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.595 -4.070 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 30 100.178 -3.730 4.312 1.00 0.00 H new ATOM 483 N GLY A 31 96.931 -3.270 2.685 1.00 0.00 N ATOM 484 CA GLY A 31 96.639 -2.824 1.289 1.00 0.00 C ATOM 485 C GLY A 31 95.343 -3.476 0.811 1.00 0.00 C ATOM 486 O GLY A 31 94.642 -2.942 -0.026 1.00 0.00 O ATOM 0 H GLY A 31 96.310 -2.890 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.548 -1.738 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.462 -3.097 0.628 1.00 0.00 H new ATOM 490 N THR A 32 95.009 -4.616 1.349 1.00 0.00 N ATOM 491 CA THR A 32 93.746 -5.285 0.935 1.00 0.00 C ATOM 492 C THR A 32 92.588 -4.377 1.329 1.00 0.00 C ATOM 493 O THR A 32 92.437 -4.024 2.479 1.00 0.00 O ATOM 494 CB THR A 32 93.620 -6.626 1.661 1.00 0.00 C ATOM 495 OG1 THR A 32 94.745 -7.437 1.351 1.00 0.00 O ATOM 496 CG2 THR A 32 92.337 -7.331 1.221 1.00 0.00 C ATOM 0 H THR A 32 95.554 -5.111 2.055 1.00 0.00 H new ATOM 0 HA THR A 32 93.739 -5.465 -0.140 1.00 0.00 H new ATOM 0 HB THR A 32 93.582 -6.455 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.466 -7.255 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.250 -8.286 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.477 -6.707 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.368 -7.504 0.145 1.00 0.00 H new ATOM 504 N PHE A 33 91.785 -3.966 0.392 1.00 0.00 N ATOM 505 CA PHE A 33 90.672 -3.045 0.743 1.00 0.00 C ATOM 506 C PHE A 33 89.380 -3.425 0.012 1.00 0.00 C ATOM 507 O PHE A 33 89.395 -3.855 -1.125 1.00 0.00 O ATOM 508 CB PHE A 33 91.101 -1.623 0.344 1.00 0.00 C ATOM 509 CG PHE A 33 90.000 -0.938 -0.423 1.00 0.00 C ATOM 510 CD1 PHE A 33 89.954 -1.064 -1.811 1.00 0.00 C ATOM 511 CD2 PHE A 33 89.026 -0.184 0.244 1.00 0.00 C ATOM 512 CE1 PHE A 33 88.937 -0.442 -2.532 1.00 0.00 C ATOM 513 CE2 PHE A 33 88.011 0.439 -0.492 1.00 0.00 C ATOM 514 CZ PHE A 33 87.972 0.304 -1.875 1.00 0.00 C ATOM 0 H PHE A 33 91.849 -4.224 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 33 90.469 -3.108 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 33 91.345 -1.046 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 33 92.004 -1.666 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.706 -1.643 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 33 89.058 -0.084 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 33 88.901 -0.542 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.258 1.025 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.186 0.783 -2.440 1.00 0.00 H new ATOM 524 N LEU A 34 88.260 -3.240 0.659 1.00 0.00 N ATOM 525 CA LEU A 34 86.955 -3.554 0.008 1.00 0.00 C ATOM 526 C LEU A 34 85.903 -2.524 0.426 1.00 0.00 C ATOM 527 O LEU A 34 86.012 -1.883 1.451 1.00 0.00 O ATOM 528 CB LEU A 34 86.483 -4.943 0.421 1.00 0.00 C ATOM 529 CG LEU A 34 86.445 -5.045 1.943 1.00 0.00 C ATOM 530 CD1 LEU A 34 85.339 -6.017 2.360 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.797 -5.562 2.438 1.00 0.00 C ATOM 0 H LEU A 34 88.193 -2.884 1.613 1.00 0.00 H new ATOM 0 HA LEU A 34 87.090 -3.523 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.493 -5.138 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.152 -5.701 0.013 1.00 0.00 H new ATOM 0 HG LEU A 34 86.244 -4.065 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 85.311 -6.091 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.378 -5.653 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 85.539 -7.000 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 34 87.781 -5.639 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.991 -6.544 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.584 -4.871 2.134 1.00 0.00 H new ATOM 543 N VAL A 35 84.875 -2.383 -0.363 1.00 0.00 N ATOM 544 CA VAL A 35 83.792 -1.419 -0.031 1.00 0.00 C ATOM 545 C VAL A 35 82.596 -2.234 0.489 1.00 0.00 C ATOM 546 O VAL A 35 82.310 -3.305 -0.007 1.00 0.00 O ATOM 547 CB VAL A 35 83.422 -0.626 -1.296 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.246 0.308 -1.006 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.629 0.212 -1.730 1.00 0.00 C ATOM 0 H VAL A 35 84.739 -2.900 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 35 84.105 -0.705 0.731 1.00 0.00 H new ATOM 0 HB VAL A 35 83.141 -1.322 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.992 0.865 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.385 -0.279 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.522 1.005 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.376 0.778 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.900 0.901 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.471 -0.446 -1.942 1.00 0.00 H new ATOM 559 N ARG A 36 81.921 -1.768 1.508 1.00 0.00 N ATOM 560 CA ARG A 36 80.785 -2.557 2.071 1.00 0.00 C ATOM 561 C ARG A 36 79.732 -1.587 2.610 1.00 0.00 C ATOM 562 O ARG A 36 80.003 -0.420 2.808 1.00 0.00 O ATOM 563 CB ARG A 36 81.341 -3.438 3.206 1.00 0.00 C ATOM 564 CG ARG A 36 80.253 -4.351 3.791 1.00 0.00 C ATOM 565 CD ARG A 36 80.059 -5.569 2.884 1.00 0.00 C ATOM 566 NE ARG A 36 80.509 -6.837 3.558 1.00 0.00 N ATOM 567 CZ ARG A 36 81.622 -6.904 4.254 1.00 0.00 C ATOM 568 NH1 ARG A 36 82.352 -5.846 4.464 1.00 0.00 N ATOM 569 NH2 ARG A 36 81.994 -8.050 4.758 1.00 0.00 N ATOM 0 H ARG A 36 82.106 -0.879 1.973 1.00 0.00 H new ATOM 0 HA ARG A 36 80.323 -3.187 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 82.163 -4.045 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.749 -2.805 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 36 80.535 -4.673 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 79.316 -3.802 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 36 79.008 -5.655 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 36 80.620 -5.428 1.960 1.00 0.00 H new ATOM 0 HE ARG A 36 79.931 -7.673 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.063 -4.944 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.212 -5.920 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.423 -8.882 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.856 -8.113 5.300 1.00 0.00 H new ATOM 583 N GLU A 37 78.533 -2.040 2.856 1.00 0.00 N ATOM 584 CA GLU A 37 77.506 -1.115 3.383 1.00 0.00 C ATOM 585 C GLU A 37 77.627 -1.088 4.902 1.00 0.00 C ATOM 586 O GLU A 37 78.307 -1.907 5.489 1.00 0.00 O ATOM 587 CB GLU A 37 76.119 -1.631 2.990 1.00 0.00 C ATOM 588 CG GLU A 37 76.025 -1.739 1.467 1.00 0.00 C ATOM 589 CD GLU A 37 76.005 -0.341 0.848 1.00 0.00 C ATOM 590 OE1 GLU A 37 75.303 0.508 1.371 1.00 0.00 O ATOM 591 OE2 GLU A 37 76.691 -0.144 -0.142 1.00 0.00 O ATOM 0 H GLU A 37 78.228 -3.003 2.715 1.00 0.00 H new ATOM 0 HA GLU A 37 77.646 -0.114 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.939 -2.605 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.349 -0.957 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.872 -2.306 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.123 -2.283 1.187 1.00 0.00 H new ATOM 677 N TYR A 44 77.114 3.695 4.568 1.00 0.00 N ATOM 678 CA TYR A 44 78.101 2.923 3.759 1.00 0.00 C ATOM 679 C TYR A 44 79.438 2.825 4.508 1.00 0.00 C ATOM 680 O TYR A 44 79.736 3.638 5.361 1.00 0.00 O ATOM 681 CB TYR A 44 78.302 3.648 2.427 1.00 0.00 C ATOM 682 CG TYR A 44 76.994 3.672 1.677 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.653 2.614 0.829 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.121 4.755 1.835 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.436 2.636 0.139 1.00 0.00 C ATOM 686 CE2 TYR A 44 74.904 4.777 1.147 1.00 0.00 C ATOM 687 CZ TYR A 44 74.560 3.717 0.298 1.00 0.00 C ATOM 688 OH TYR A 44 73.358 3.739 -0.381 1.00 0.00 O ATOM 0 HA TYR A 44 77.730 1.913 3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.654 4.665 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.066 3.143 1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.329 1.780 0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.387 5.573 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.172 1.819 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.229 5.611 1.270 1.00 0.00 H new ATOM 0 HH TYR A 44 72.871 4.559 -0.157 1.00 0.00 H new ATOM 698 N ALA A 45 80.251 1.838 4.199 1.00 0.00 N ATOM 699 CA ALA A 45 81.561 1.711 4.901 1.00 0.00 C ATOM 700 C ALA A 45 82.486 0.778 4.114 1.00 0.00 C ATOM 701 O ALA A 45 82.058 -0.206 3.546 1.00 0.00 O ATOM 702 CB ALA A 45 81.337 1.140 6.305 1.00 0.00 C ATOM 0 H ALA A 45 80.061 1.123 3.496 1.00 0.00 H new ATOM 0 HA ALA A 45 82.023 2.696 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.295 1.048 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.686 1.808 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.870 0.158 6.228 1.00 0.00 H new ATOM 708 N CYS A 46 83.759 1.068 4.087 1.00 0.00 N ATOM 709 CA CYS A 46 84.704 0.185 3.349 1.00 0.00 C ATOM 710 C CYS A 46 85.653 -0.436 4.365 1.00 0.00 C ATOM 711 O CYS A 46 86.019 0.184 5.341 1.00 0.00 O ATOM 712 CB CYS A 46 85.487 1.005 2.310 1.00 0.00 C ATOM 713 SG CYS A 46 84.318 1.847 1.217 1.00 0.00 S ATOM 0 H CYS A 46 84.183 1.876 4.543 1.00 0.00 H new ATOM 0 HA CYS A 46 84.162 -0.598 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.126 1.733 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.140 0.352 1.731 1.00 0.00 H new ATOM 0 HG CYS A 46 84.972 2.545 0.337 1.00 0.00 H new ATOM 719 N SER A 47 86.030 -1.663 4.170 1.00 0.00 N ATOM 720 CA SER A 47 86.926 -2.313 5.164 1.00 0.00 C ATOM 721 C SER A 47 88.294 -2.604 4.556 1.00 0.00 C ATOM 722 O SER A 47 88.416 -2.928 3.391 1.00 0.00 O ATOM 723 CB SER A 47 86.287 -3.612 5.637 1.00 0.00 C ATOM 724 OG SER A 47 86.200 -4.516 4.544 1.00 0.00 O ATOM 0 H SER A 47 85.761 -2.242 3.374 1.00 0.00 H new ATOM 0 HA SER A 47 87.065 -1.636 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.879 -4.050 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.294 -3.416 6.042 1.00 0.00 H new ATOM 0 HG SER A 47 86.372 -5.428 4.859 1.00 0.00 H new ATOM 730 N VAL A 48 89.328 -2.486 5.348 1.00 0.00 N ATOM 731 CA VAL A 48 90.699 -2.745 4.829 1.00 0.00 C ATOM 732 C VAL A 48 91.619 -3.204 5.966 1.00 0.00 C ATOM 733 O VAL A 48 91.377 -2.941 7.130 1.00 0.00 O ATOM 734 CB VAL A 48 91.255 -1.455 4.236 1.00 0.00 C ATOM 735 CG1 VAL A 48 90.841 -0.272 5.112 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.785 -1.521 4.172 1.00 0.00 C ATOM 0 H VAL A 48 89.280 -2.221 6.332 1.00 0.00 H new ATOM 0 HA VAL A 48 90.652 -3.525 4.069 1.00 0.00 H new ATOM 0 HB VAL A 48 90.858 -1.329 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 91.238 0.651 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 48 89.753 -0.213 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 91.236 -0.409 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.172 -0.595 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.186 -1.654 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.087 -2.361 3.547 1.00 0.00 H new ATOM 746 N VAL A 49 92.688 -3.865 5.624 1.00 0.00 N ATOM 747 CA VAL A 49 93.658 -4.325 6.661 1.00 0.00 C ATOM 748 C VAL A 49 94.815 -3.337 6.712 1.00 0.00 C ATOM 749 O VAL A 49 95.237 -2.826 5.693 1.00 0.00 O ATOM 750 CB VAL A 49 94.219 -5.695 6.286 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.398 -6.021 7.205 1.00 0.00 C ATOM 752 CG2 VAL A 49 93.138 -6.763 6.439 1.00 0.00 C ATOM 0 H VAL A 49 92.935 -4.109 4.665 1.00 0.00 H new ATOM 0 HA VAL A 49 93.151 -4.389 7.624 1.00 0.00 H new ATOM 0 HB VAL A 49 94.553 -5.678 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.804 -6.998 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 49 96.172 -5.263 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 49 95.059 -6.035 8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.548 -7.736 6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.795 -6.788 7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.299 -6.528 5.784 1.00 0.00 H new ATOM 762 N VAL A 50 95.345 -3.049 7.866 1.00 0.00 N ATOM 763 CA VAL A 50 96.474 -2.083 7.897 1.00 0.00 C ATOM 764 C VAL A 50 97.364 -2.274 9.128 1.00 0.00 C ATOM 765 O VAL A 50 96.924 -2.665 10.186 1.00 0.00 O ATOM 766 CB VAL A 50 95.917 -0.665 7.912 1.00 0.00 C ATOM 767 CG1 VAL A 50 95.099 -0.444 9.170 1.00 0.00 C ATOM 768 CG2 VAL A 50 97.077 0.330 7.862 1.00 0.00 C ATOM 0 H VAL A 50 95.055 -3.429 8.767 1.00 0.00 H new ATOM 0 HA VAL A 50 97.083 -2.258 7.010 1.00 0.00 H new ATOM 0 HB VAL A 50 95.273 -0.517 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 94.704 0.572 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 50 94.273 -1.154 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 95.731 -0.590 10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.685 1.347 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 97.722 0.181 8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 50 97.652 0.172 6.950 1.00 0.00 H new ATOM 778 N ASP A 51 98.617 -1.951 8.983 1.00 0.00 N ATOM 779 CA ASP A 51 99.581 -2.038 10.116 1.00 0.00 C ATOM 780 C ASP A 51 99.290 -3.239 11.026 1.00 0.00 C ATOM 781 O ASP A 51 99.519 -3.189 12.216 1.00 0.00 O ATOM 782 CB ASP A 51 99.495 -0.740 10.923 1.00 0.00 C ATOM 783 CG ASP A 51 100.560 -0.737 12.021 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.168 -1.771 12.237 1.00 0.00 O ATOM 785 OD2 ASP A 51 100.752 0.305 12.626 1.00 0.00 O ATOM 0 H ASP A 51 99.024 -1.623 8.107 1.00 0.00 H new ATOM 0 HA ASP A 51 100.584 -2.177 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 51 99.636 0.117 10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 98.504 -0.642 11.366 1.00 0.00 H new ATOM 790 N GLY A 52 98.821 -4.328 10.494 1.00 0.00 N ATOM 791 CA GLY A 52 98.576 -5.511 11.368 1.00 0.00 C ATOM 792 C GLY A 52 97.239 -5.392 12.103 1.00 0.00 C ATOM 793 O GLY A 52 96.898 -6.226 12.919 1.00 0.00 O ATOM 0 H GLY A 52 98.598 -4.454 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 52 98.582 -6.419 10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.385 -5.604 12.093 1.00 0.00 H new ATOM 797 N GLU A 53 96.478 -4.374 11.833 1.00 0.00 N ATOM 798 CA GLU A 53 95.173 -4.221 12.532 1.00 0.00 C ATOM 799 C GLU A 53 94.050 -4.036 11.512 1.00 0.00 C ATOM 800 O GLU A 53 94.163 -3.272 10.573 1.00 0.00 O ATOM 801 CB GLU A 53 95.225 -3.007 13.460 1.00 0.00 C ATOM 802 CG GLU A 53 96.116 -3.318 14.663 1.00 0.00 C ATOM 803 CD GLU A 53 96.248 -2.066 15.532 1.00 0.00 C ATOM 804 OE1 GLU A 53 95.836 -1.010 15.081 1.00 0.00 O ATOM 805 OE2 GLU A 53 96.760 -2.185 16.633 1.00 0.00 O ATOM 0 H GLU A 53 96.701 -3.641 11.160 1.00 0.00 H new ATOM 0 HA GLU A 53 94.978 -5.119 13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.612 -2.142 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.220 -2.750 13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.689 -4.135 15.245 1.00 0.00 H new ATOM 0 HG3 GLU A 53 97.099 -3.646 14.326 1.00 0.00 H new ATOM 812 N VAL A 54 92.966 -4.735 11.703 1.00 0.00 N ATOM 813 CA VAL A 54 91.817 -4.620 10.766 1.00 0.00 C ATOM 814 C VAL A 54 90.992 -3.383 11.119 1.00 0.00 C ATOM 815 O VAL A 54 90.615 -3.179 12.256 1.00 0.00 O ATOM 816 CB VAL A 54 90.945 -5.871 10.882 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.659 -5.680 10.077 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.713 -7.073 10.328 1.00 0.00 C ATOM 0 H VAL A 54 92.827 -5.386 12.476 1.00 0.00 H new ATOM 0 HA VAL A 54 92.185 -4.526 9.744 1.00 0.00 H new ATOM 0 HB VAL A 54 90.694 -6.042 11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.040 -6.573 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.111 -4.821 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.907 -5.509 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.096 -7.968 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.960 -6.896 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.631 -7.213 10.899 1.00 0.00 H new ATOM 828 N LYS A 55 90.713 -2.554 10.153 1.00 0.00 N ATOM 829 CA LYS A 55 89.913 -1.324 10.431 1.00 0.00 C ATOM 830 C LYS A 55 88.776 -1.193 9.422 1.00 0.00 C ATOM 831 O LYS A 55 88.896 -1.586 8.278 1.00 0.00 O ATOM 832 CB LYS A 55 90.814 -0.092 10.339 1.00 0.00 C ATOM 833 CG LYS A 55 91.679 0.000 11.595 1.00 0.00 C ATOM 834 CD LYS A 55 93.144 -0.063 11.214 1.00 0.00 C ATOM 835 CE LYS A 55 94.003 0.244 12.438 1.00 0.00 C ATOM 836 NZ LYS A 55 95.392 0.559 12.005 1.00 0.00 N ATOM 0 H LYS A 55 91.003 -2.673 9.182 1.00 0.00 H new ATOM 0 HA LYS A 55 89.493 -1.399 11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.446 -0.155 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.208 0.808 10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 55 91.471 0.930 12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.435 -0.815 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.387 -1.052 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.355 0.653 10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.583 1.086 12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.007 -0.610 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.852 1.156 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 95.930 -0.324 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 95.366 1.065 11.097 1.00 0.00 H new ATOM 850 N HIS A 56 87.674 -0.629 9.836 1.00 0.00 N ATOM 851 CA HIS A 56 86.536 -0.463 8.897 1.00 0.00 C ATOM 852 C HIS A 56 86.401 1.012 8.507 1.00 0.00 C ATOM 853 O HIS A 56 85.950 1.828 9.287 1.00 0.00 O ATOM 854 CB HIS A 56 85.239 -0.923 9.571 1.00 0.00 C ATOM 855 CG HIS A 56 85.268 -2.414 9.788 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.797 -3.292 8.853 1.00 0.00 N ATOM 857 CD2 HIS A 56 84.817 -3.198 10.822 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.652 -4.540 9.339 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.060 -4.538 10.537 1.00 0.00 N ATOM 0 H HIS A 56 87.516 -0.278 10.781 1.00 0.00 H new ATOM 0 HA HIS A 56 86.719 -1.063 8.006 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.115 -0.411 10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.383 -0.655 8.952 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.345 -2.830 11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.975 -5.433 8.824 1.00 0.00 H new ATOM 0 HE2 HIS A 56 84.835 -5.346 11.118 1.00 0.00 H new ATOM 867 N CYS A 57 86.761 1.359 7.299 1.00 0.00 N ATOM 868 CA CYS A 57 86.618 2.779 6.870 1.00 0.00 C ATOM 869 C CYS A 57 85.130 3.084 6.756 1.00 0.00 C ATOM 870 O CYS A 57 84.387 2.371 6.113 1.00 0.00 O ATOM 871 CB CYS A 57 87.300 2.986 5.514 1.00 0.00 C ATOM 872 SG CYS A 57 87.124 4.715 5.002 1.00 0.00 S ATOM 0 H CYS A 57 87.144 0.726 6.597 1.00 0.00 H new ATOM 0 HA CYS A 57 87.088 3.444 7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.355 2.722 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.855 2.328 4.768 1.00 0.00 H new ATOM 0 HG CYS A 57 87.705 4.888 3.852 1.00 0.00 H new ATOM 878 N VAL A 58 84.684 4.113 7.404 1.00 0.00 N ATOM 879 CA VAL A 58 83.236 4.441 7.368 1.00 0.00 C ATOM 880 C VAL A 58 82.921 5.444 6.255 1.00 0.00 C ATOM 881 O VAL A 58 83.560 6.468 6.119 1.00 0.00 O ATOM 882 CB VAL A 58 82.842 5.021 8.724 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.558 5.839 8.586 1.00 0.00 C ATOM 884 CG2 VAL A 58 82.611 3.877 9.713 1.00 0.00 C ATOM 0 H VAL A 58 85.259 4.746 7.960 1.00 0.00 H new ATOM 0 HA VAL A 58 82.667 3.535 7.161 1.00 0.00 H new ATOM 0 HB VAL A 58 83.641 5.667 9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.282 6.250 9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.720 6.653 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.755 5.198 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 58 82.329 4.286 10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.812 3.233 9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 58 83.527 3.295 9.817 1.00 0.00 H new ATOM 894 N ILE A 59 81.916 5.151 5.469 1.00 0.00 N ATOM 895 CA ILE A 59 81.521 6.072 4.369 1.00 0.00 C ATOM 896 C ILE A 59 80.188 6.737 4.744 1.00 0.00 C ATOM 897 O ILE A 59 79.268 6.076 5.184 1.00 0.00 O ATOM 898 CB ILE A 59 81.359 5.263 3.076 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.704 4.653 2.684 1.00 0.00 C ATOM 900 CG2 ILE A 59 80.858 6.162 1.947 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.751 5.756 2.563 1.00 0.00 C ATOM 0 H ILE A 59 81.350 4.306 5.546 1.00 0.00 H new ATOM 0 HA ILE A 59 82.281 6.838 4.218 1.00 0.00 H new ATOM 0 HB ILE A 59 80.631 4.470 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.015 3.923 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 59 82.611 4.121 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 59 80.748 5.574 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.894 6.589 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.575 6.965 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.709 5.319 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.441 6.470 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.851 6.269 3.520 1.00 0.00 H new ATOM 913 N ASN A 60 80.069 8.034 4.590 1.00 0.00 N ATOM 914 CA ASN A 60 78.782 8.695 4.968 1.00 0.00 C ATOM 915 C ASN A 60 78.166 9.418 3.766 1.00 0.00 C ATOM 916 O ASN A 60 78.795 10.242 3.122 1.00 0.00 O ATOM 917 CB ASN A 60 79.036 9.701 6.094 1.00 0.00 C ATOM 918 CG ASN A 60 79.500 8.955 7.348 1.00 0.00 C ATOM 919 OD1 ASN A 60 80.459 9.349 7.984 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.852 7.890 7.736 1.00 0.00 N ATOM 0 H ASN A 60 80.793 8.653 4.226 1.00 0.00 H new ATOM 0 HA ASN A 60 78.085 7.928 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.792 10.424 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.126 10.262 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.150 7.388 8.573 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.048 7.560 7.203 1.00 0.00 H new ATOM 1167 N SER A 77 82.239 11.214 -8.399 1.00 0.00 N ATOM 1168 CA SER A 77 81.821 9.833 -8.786 1.00 0.00 C ATOM 1169 C SER A 77 82.405 8.812 -7.811 1.00 0.00 C ATOM 1170 O SER A 77 83.496 8.973 -7.297 1.00 0.00 O ATOM 1171 CB SER A 77 82.314 9.525 -10.200 1.00 0.00 C ATOM 1172 OG SER A 77 83.725 9.368 -10.181 1.00 0.00 O ATOM 0 HA SER A 77 80.733 9.773 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.840 8.617 -10.573 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.035 10.331 -10.878 1.00 0.00 H new ATOM 0 HG SER A 77 84.026 9.014 -11.044 1.00 0.00 H new ATOM 1178 N LEU A 78 81.679 7.757 -7.557 1.00 0.00 N ATOM 1179 CA LEU A 78 82.171 6.710 -6.620 1.00 0.00 C ATOM 1180 C LEU A 78 83.479 6.129 -7.155 1.00 0.00 C ATOM 1181 O LEU A 78 84.429 5.926 -6.425 1.00 0.00 O ATOM 1182 CB LEU A 78 81.131 5.593 -6.533 1.00 0.00 C ATOM 1183 CG LEU A 78 79.818 6.147 -5.985 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.788 5.019 -5.897 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.051 6.735 -4.594 1.00 0.00 C ATOM 0 H LEU A 78 80.760 7.576 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 78 82.336 7.145 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.969 5.158 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.496 4.794 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 78 79.448 6.928 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.850 5.413 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.620 4.601 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.159 4.239 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.113 7.130 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.422 5.956 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.785 7.539 -4.657 1.00 0.00 H new ATOM 1197 N LYS A 79 83.530 5.856 -8.431 1.00 0.00 N ATOM 1198 CA LYS A 79 84.766 5.282 -9.029 1.00 0.00 C ATOM 1199 C LYS A 79 85.931 6.254 -8.845 1.00 0.00 C ATOM 1200 O LYS A 79 87.032 5.862 -8.509 1.00 0.00 O ATOM 1201 CB LYS A 79 84.539 5.037 -10.523 1.00 0.00 C ATOM 1202 CG LYS A 79 83.591 3.849 -10.704 1.00 0.00 C ATOM 1203 CD LYS A 79 83.293 3.649 -12.193 1.00 0.00 C ATOM 1204 CE LYS A 79 82.257 2.533 -12.361 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.953 2.971 -11.785 1.00 0.00 N ATOM 0 H LYS A 79 82.764 6.007 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 79 85.003 4.341 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.117 5.928 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.489 4.837 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 79 84.040 2.947 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.664 4.024 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.919 4.576 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.208 3.394 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 79 82.137 2.290 -13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.600 1.626 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.183 2.414 -12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.962 2.825 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.804 3.980 -11.990 1.00 0.00 H new ATOM 1219 N GLU A 80 85.706 7.519 -9.066 1.00 0.00 N ATOM 1220 CA GLU A 80 86.812 8.499 -8.903 1.00 0.00 C ATOM 1221 C GLU A 80 87.269 8.525 -7.445 1.00 0.00 C ATOM 1222 O GLU A 80 88.446 8.609 -7.158 1.00 0.00 O ATOM 1223 CB GLU A 80 86.335 9.897 -9.307 1.00 0.00 C ATOM 1224 CG GLU A 80 87.524 10.854 -9.257 1.00 0.00 C ATOM 1225 CD GLU A 80 87.098 12.237 -9.753 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.941 12.389 -10.108 1.00 0.00 O ATOM 1227 OE2 GLU A 80 87.938 13.121 -9.767 1.00 0.00 O ATOM 0 H GLU A 80 84.810 7.914 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 80 87.644 8.201 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.909 9.876 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.548 10.237 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.903 10.924 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.337 10.471 -9.874 1.00 0.00 H new ATOM 1234 N LEU A 81 86.351 8.457 -6.519 1.00 0.00 N ATOM 1235 CA LEU A 81 86.751 8.486 -5.084 1.00 0.00 C ATOM 1236 C LEU A 81 87.647 7.288 -4.769 1.00 0.00 C ATOM 1237 O LEU A 81 88.666 7.419 -4.119 1.00 0.00 O ATOM 1238 CB LEU A 81 85.507 8.442 -4.196 1.00 0.00 C ATOM 1239 CG LEU A 81 85.935 8.544 -2.732 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.755 9.018 -1.889 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.400 7.173 -2.226 1.00 0.00 C ATOM 0 H LEU A 81 85.349 8.383 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 81 87.300 9.407 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.835 9.262 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.958 7.516 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 81 86.756 9.256 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.060 9.091 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.427 9.996 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.935 8.306 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.703 7.254 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.583 6.457 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.245 6.832 -2.824 1.00 0.00 H new ATOM 1253 N VAL A 82 87.287 6.123 -5.227 1.00 0.00 N ATOM 1254 CA VAL A 82 88.132 4.926 -4.951 1.00 0.00 C ATOM 1255 C VAL A 82 89.494 5.106 -5.625 1.00 0.00 C ATOM 1256 O VAL A 82 90.521 4.732 -5.092 1.00 0.00 O ATOM 1257 CB VAL A 82 87.452 3.675 -5.511 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.374 2.466 -5.326 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.140 3.431 -4.764 1.00 0.00 C ATOM 0 H VAL A 82 86.448 5.946 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 82 88.263 4.814 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 82 87.247 3.818 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.890 1.575 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.311 2.638 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.579 2.324 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.655 2.540 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.346 3.288 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.482 4.291 -4.893 1.00 0.00 H new ATOM 1269 N LEU A 83 89.502 5.665 -6.805 1.00 0.00 N ATOM 1270 CA LEU A 83 90.785 5.862 -7.540 1.00 0.00 C ATOM 1271 C LEU A 83 91.712 6.825 -6.790 1.00 0.00 C ATOM 1272 O LEU A 83 92.886 6.573 -6.640 1.00 0.00 O ATOM 1273 CB LEU A 83 90.482 6.443 -8.922 1.00 0.00 C ATOM 1274 CG LEU A 83 91.794 6.666 -9.672 1.00 0.00 C ATOM 1275 CD1 LEU A 83 92.482 5.321 -9.918 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.514 7.348 -11.012 1.00 0.00 C ATOM 0 H LEU A 83 88.670 5.996 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 83 91.284 4.897 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.840 5.764 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.941 7.384 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 83 92.445 7.302 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 83 93.418 5.483 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.689 4.838 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.830 4.682 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.453 7.505 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 83 90.859 6.716 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.031 8.309 -10.837 1.00 0.00 H new ATOM 1288 N HIS A 84 91.211 7.934 -6.339 1.00 0.00 N ATOM 1289 CA HIS A 84 92.093 8.905 -5.628 1.00 0.00 C ATOM 1290 C HIS A 84 92.555 8.337 -4.292 1.00 0.00 C ATOM 1291 O HIS A 84 93.690 8.502 -3.893 1.00 0.00 O ATOM 1292 CB HIS A 84 91.322 10.192 -5.378 1.00 0.00 C ATOM 1293 CG HIS A 84 91.291 10.996 -6.641 1.00 0.00 C ATOM 1294 ND1 HIS A 84 90.278 10.866 -7.574 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.145 11.946 -7.141 1.00 0.00 C ATOM 1296 CE1 HIS A 84 90.545 11.721 -8.580 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.673 12.402 -8.365 1.00 0.00 N ATOM 0 H HIS A 84 90.234 8.214 -6.428 1.00 0.00 H new ATOM 0 HA HIS A 84 92.967 9.100 -6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.307 9.965 -5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 84 91.794 10.764 -4.579 1.00 0.00 H new ATOM 0 HD1 HIS A 84 89.476 10.238 -7.512 1.00 0.00 H new ATOM 0 HD2 HIS A 84 93.048 12.288 -6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 84 89.922 11.841 -9.454 1.00 0.00 H new ATOM 1305 N TYR A 85 91.683 7.681 -3.594 1.00 0.00 N ATOM 1306 CA TYR A 85 92.062 7.116 -2.276 1.00 0.00 C ATOM 1307 C TYR A 85 93.194 6.095 -2.442 1.00 0.00 C ATOM 1308 O TYR A 85 93.991 5.900 -1.547 1.00 0.00 O ATOM 1309 CB TYR A 85 90.836 6.449 -1.652 1.00 0.00 C ATOM 1310 CG TYR A 85 89.945 7.502 -1.028 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.532 8.616 -1.772 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.527 7.357 0.300 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.703 9.583 -1.185 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.700 8.323 0.886 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.288 9.436 0.144 1.00 0.00 C ATOM 1316 OH TYR A 85 87.469 10.387 0.723 1.00 0.00 O ATOM 0 H TYR A 85 90.719 7.510 -3.879 1.00 0.00 H new ATOM 0 HA TYR A 85 92.416 7.915 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.284 5.896 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.147 5.728 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.852 8.730 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.843 6.498 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.385 10.441 -1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.380 8.209 1.911 1.00 0.00 H new ATOM 0 HH TYR A 85 87.275 10.131 1.649 1.00 0.00 H new ATOM 1326 N GLN A 86 93.277 5.434 -3.567 1.00 0.00 N ATOM 1327 CA GLN A 86 94.369 4.430 -3.744 1.00 0.00 C ATOM 1328 C GLN A 86 95.727 5.143 -3.810 1.00 0.00 C ATOM 1329 O GLN A 86 96.766 4.524 -3.704 1.00 0.00 O ATOM 1330 CB GLN A 86 94.145 3.619 -5.029 1.00 0.00 C ATOM 1331 CG GLN A 86 94.401 4.496 -6.258 1.00 0.00 C ATOM 1332 CD GLN A 86 95.579 3.940 -7.063 1.00 0.00 C ATOM 1333 OE1 GLN A 86 95.601 4.034 -8.275 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.570 3.366 -6.438 1.00 0.00 N ATOM 0 H GLN A 86 92.646 5.543 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 86 94.360 3.749 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 86 94.811 2.756 -5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.125 3.235 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.508 4.531 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 86 94.613 5.519 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.554 3.286 -5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.361 2.997 -6.966 1.00 0.00 H new ATOM 1343 N HIS A 87 95.729 6.441 -3.987 1.00 0.00 N ATOM 1344 CA HIS A 87 97.026 7.182 -4.062 1.00 0.00 C ATOM 1345 C HIS A 87 97.288 7.914 -2.739 1.00 0.00 C ATOM 1346 O HIS A 87 98.419 8.110 -2.347 1.00 0.00 O ATOM 1347 CB HIS A 87 96.964 8.204 -5.203 1.00 0.00 C ATOM 1348 CG HIS A 87 98.331 8.792 -5.441 1.00 0.00 C ATOM 1349 ND1 HIS A 87 98.743 9.979 -4.849 1.00 0.00 N ATOM 1350 CD2 HIS A 87 99.386 8.378 -6.219 1.00 0.00 C ATOM 1351 CE1 HIS A 87 99.994 10.234 -5.277 1.00 0.00 C ATOM 1352 NE2 HIS A 87 100.433 9.289 -6.113 1.00 0.00 N ATOM 0 H HIS A 87 94.893 7.017 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 87 97.833 6.472 -4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.601 7.725 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.256 8.995 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 87 99.400 7.482 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 87 100.572 11.097 -4.981 1.00 0.00 H new ATOM 0 HE2 HIS A 87 101.341 9.245 -6.575 1.00 0.00 H new ATOM 1360 N THR A 88 96.256 8.335 -2.058 1.00 0.00 N ATOM 1361 CA THR A 88 96.462 9.070 -0.772 1.00 0.00 C ATOM 1362 C THR A 88 96.567 8.093 0.399 1.00 0.00 C ATOM 1363 O THR A 88 95.868 7.102 0.471 1.00 0.00 O ATOM 1364 CB THR A 88 95.290 10.025 -0.541 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.224 10.949 -1.617 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.494 10.781 0.774 1.00 0.00 C ATOM 0 H THR A 88 95.283 8.204 -2.333 1.00 0.00 H new ATOM 0 HA THR A 88 97.393 9.634 -0.836 1.00 0.00 H new ATOM 0 HB THR A 88 94.361 9.458 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.473 11.563 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.658 11.461 0.936 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.549 10.070 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.421 11.352 0.725 1.00 0.00 H new ATOM 1374 N SER A 89 97.442 8.385 1.324 1.00 0.00 N ATOM 1375 CA SER A 89 97.618 7.507 2.510 1.00 0.00 C ATOM 1376 C SER A 89 96.652 7.953 3.605 1.00 0.00 C ATOM 1377 O SER A 89 96.639 9.099 4.005 1.00 0.00 O ATOM 1378 CB SER A 89 99.053 7.641 3.004 1.00 0.00 C ATOM 1379 OG SER A 89 99.921 6.948 2.116 1.00 0.00 O ATOM 0 H SER A 89 98.048 9.205 1.305 1.00 0.00 H new ATOM 0 HA SER A 89 97.414 6.468 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.334 8.693 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.143 7.234 4.011 1.00 0.00 H new ATOM 0 HG SER A 89 100.846 7.033 2.429 1.00 0.00 H new ATOM 1385 N LEU A 90 95.832 7.061 4.079 1.00 0.00 N ATOM 1386 CA LEU A 90 94.847 7.440 5.133 1.00 0.00 C ATOM 1387 C LEU A 90 95.560 7.945 6.408 1.00 0.00 C ATOM 1388 O LEU A 90 95.124 8.901 7.005 1.00 0.00 O ATOM 1389 CB LEU A 90 93.969 6.229 5.451 1.00 0.00 C ATOM 1390 CG LEU A 90 93.065 5.928 4.253 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.632 4.462 4.299 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.825 6.821 4.302 1.00 0.00 C ATOM 0 H LEU A 90 95.799 6.085 3.784 1.00 0.00 H new ATOM 0 HA LEU A 90 94.226 8.256 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.592 5.364 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.365 6.427 6.336 1.00 0.00 H new ATOM 0 HG LEU A 90 93.614 6.122 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 90 91.988 4.246 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.513 3.821 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.086 4.273 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.185 6.602 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.276 6.631 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.129 7.867 4.270 1.00 0.00 H new ATOM 1404 N VAL A 91 96.648 7.325 6.822 1.00 0.00 N ATOM 1405 CA VAL A 91 97.375 7.801 8.058 1.00 0.00 C ATOM 1406 C VAL A 91 96.369 8.402 9.064 1.00 0.00 C ATOM 1407 O VAL A 91 95.947 7.744 9.999 1.00 0.00 O ATOM 1408 CB VAL A 91 98.389 8.876 7.637 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.739 9.762 8.828 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.667 8.210 7.119 1.00 0.00 C ATOM 0 H VAL A 91 97.064 6.515 6.362 1.00 0.00 H new ATOM 0 HA VAL A 91 97.886 6.964 8.534 1.00 0.00 H new ATOM 0 HB VAL A 91 97.945 9.484 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.458 10.520 8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 91 97.836 10.248 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.173 9.152 9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.382 8.977 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.101 7.594 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.428 7.584 6.259 1.00 0.00 H new ATOM 1420 N GLN A 92 95.984 9.646 8.867 1.00 0.00 N ATOM 1421 CA GLN A 92 94.992 10.319 9.776 1.00 0.00 C ATOM 1422 C GLN A 92 95.454 10.296 11.240 1.00 0.00 C ATOM 1423 O GLN A 92 96.624 10.157 11.534 1.00 0.00 O ATOM 1424 CB GLN A 92 93.630 9.625 9.651 1.00 0.00 C ATOM 1425 CG GLN A 92 92.862 10.207 8.459 1.00 0.00 C ATOM 1426 CD GLN A 92 91.634 9.340 8.176 1.00 0.00 C ATOM 1427 OE1 GLN A 92 91.759 8.159 7.911 1.00 0.00 O ATOM 1428 NE2 GLN A 92 90.445 9.876 8.221 1.00 0.00 N ATOM 0 H GLN A 92 96.321 10.232 8.103 1.00 0.00 H new ATOM 0 HA GLN A 92 94.910 11.362 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 92 93.768 8.552 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 92 93.056 9.761 10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 92 92.557 11.231 8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 92 93.506 10.244 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 92 90.340 10.866 8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 92 89.621 9.305 8.034 1.00 0.00 H new ATOM 1437 N HIS A 93 94.531 10.458 12.164 1.00 0.00 N ATOM 1438 CA HIS A 93 94.900 10.474 13.613 1.00 0.00 C ATOM 1439 C HIS A 93 95.662 9.197 13.953 1.00 0.00 C ATOM 1440 O HIS A 93 96.681 9.233 14.613 1.00 0.00 O ATOM 1441 CB HIS A 93 93.630 10.559 14.465 1.00 0.00 C ATOM 1442 CG HIS A 93 93.011 11.922 14.300 1.00 0.00 C ATOM 1443 ND1 HIS A 93 93.252 12.962 15.186 1.00 0.00 N ATOM 1444 CD2 HIS A 93 92.165 12.432 13.347 1.00 0.00 C ATOM 1445 CE1 HIS A 93 92.564 14.033 14.750 1.00 0.00 C ATOM 1446 NE2 HIS A 93 91.883 13.764 13.634 1.00 0.00 N ATOM 0 H HIS A 93 93.537 10.580 11.972 1.00 0.00 H new ATOM 0 HA HIS A 93 95.530 11.339 13.820 1.00 0.00 H new ATOM 0 HB2 HIS A 93 92.923 9.787 14.163 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.869 10.380 15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.777 11.882 12.502 1.00 0.00 H new ATOM 0 HE1 HIS A 93 92.563 14.994 15.243 1.00 0.00 H new ATOM 0 HE2 HIS A 93 91.285 14.398 13.105 1.00 0.00 H new ATOM 1454 N ASN A 94 95.203 8.073 13.484 1.00 0.00 N ATOM 1455 CA ASN A 94 95.937 6.813 13.758 1.00 0.00 C ATOM 1456 C ASN A 94 97.083 6.735 12.754 1.00 0.00 C ATOM 1457 O ASN A 94 96.929 6.252 11.651 1.00 0.00 O ATOM 1458 CB ASN A 94 95.000 5.616 13.590 1.00 0.00 C ATOM 1459 CG ASN A 94 93.973 5.611 14.722 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.799 5.825 14.492 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.367 5.379 15.944 1.00 0.00 N ATOM 0 H ASN A 94 94.355 7.974 12.926 1.00 0.00 H new ATOM 0 HA ASN A 94 96.319 6.796 14.779 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.494 5.669 12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.572 4.688 13.599 1.00 0.00 H new ATOM 0 HD21 ASN A 94 93.690 5.377 16.707 1.00 0.00 H new ATOM 0 HD22 ASN A 94 95.352 5.199 16.137 1.00 0.00 H new ATOM 1468 N ASP A 95 98.222 7.248 13.118 1.00 0.00 N ATOM 1469 CA ASP A 95 99.375 7.254 12.181 1.00 0.00 C ATOM 1470 C ASP A 95 99.494 5.905 11.473 1.00 0.00 C ATOM 1471 O ASP A 95 100.284 5.750 10.562 1.00 0.00 O ATOM 1472 CB ASP A 95 100.664 7.533 12.958 1.00 0.00 C ATOM 1473 CG ASP A 95 101.792 7.838 11.973 1.00 0.00 C ATOM 1474 OD1 ASP A 95 101.530 7.822 10.781 1.00 0.00 O ATOM 1475 OD2 ASP A 95 102.897 8.085 12.425 1.00 0.00 O ATOM 0 H ASP A 95 98.405 7.666 14.030 1.00 0.00 H new ATOM 0 HA ASP A 95 99.216 8.033 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.519 8.375 13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.925 6.672 13.573 1.00 0.00 H new ATOM 1480 N SER A 96 98.744 4.920 11.882 1.00 0.00 N ATOM 1481 CA SER A 96 98.872 3.595 11.215 1.00 0.00 C ATOM 1482 C SER A 96 97.927 3.456 10.020 1.00 0.00 C ATOM 1483 O SER A 96 97.939 2.445 9.346 1.00 0.00 O ATOM 1484 CB SER A 96 98.616 2.463 12.222 1.00 0.00 C ATOM 1485 OG SER A 96 97.275 2.546 12.689 1.00 0.00 O ATOM 0 H SER A 96 98.059 4.972 12.636 1.00 0.00 H new ATOM 0 HA SER A 96 99.892 3.522 10.837 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.790 1.495 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.310 2.541 13.059 1.00 0.00 H new ATOM 0 HG SER A 96 97.225 2.198 13.604 1.00 0.00 H new ATOM 1491 N LEU A 97 97.137 4.444 9.705 1.00 0.00 N ATOM 1492 CA LEU A 97 96.270 4.287 8.510 1.00 0.00 C ATOM 1493 C LEU A 97 97.117 4.666 7.301 1.00 0.00 C ATOM 1494 O LEU A 97 96.633 5.173 6.312 1.00 0.00 O ATOM 1495 CB LEU A 97 95.048 5.200 8.599 1.00 0.00 C ATOM 1496 CG LEU A 97 94.282 4.896 9.881 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.157 5.918 10.063 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.682 3.491 9.795 1.00 0.00 C ATOM 0 H LEU A 97 97.055 5.328 10.207 1.00 0.00 H new ATOM 0 HA LEU A 97 95.904 3.263 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.359 6.245 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.404 5.049 7.733 1.00 0.00 H new ATOM 0 HG LEU A 97 94.963 4.952 10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.611 5.698 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.582 6.920 10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 97 92.476 5.865 9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.134 3.273 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.003 3.437 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.481 2.761 9.668 1.00 0.00 H new ATOM 1510 N ASN A 98 98.399 4.427 7.389 1.00 0.00 N ATOM 1511 CA ASN A 98 99.306 4.784 6.269 1.00 0.00 C ATOM 1512 C ASN A 98 99.145 3.760 5.157 1.00 0.00 C ATOM 1513 O ASN A 98 100.094 3.171 4.684 1.00 0.00 O ATOM 1514 CB ASN A 98 100.758 4.779 6.770 1.00 0.00 C ATOM 1515 CG ASN A 98 101.184 3.352 7.137 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.392 2.521 6.275 1.00 0.00 O ATOM 1517 ND2 ASN A 98 101.335 3.033 8.392 1.00 0.00 N ATOM 0 H ASN A 98 98.855 3.998 8.194 1.00 0.00 H new ATOM 0 HA ASN A 98 99.059 5.776 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.418 5.177 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 98 100.853 5.430 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.627 2.089 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.162 3.727 9.119 1.00 0.00 H new ATOM 1524 N VAL A 99 97.938 3.561 4.725 1.00 0.00 N ATOM 1525 CA VAL A 99 97.697 2.591 3.636 1.00 0.00 C ATOM 1526 C VAL A 99 96.795 3.235 2.597 1.00 0.00 C ATOM 1527 O VAL A 99 95.988 4.091 2.898 1.00 0.00 O ATOM 1528 CB VAL A 99 97.029 1.338 4.199 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.719 1.720 4.893 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.735 0.359 3.063 1.00 0.00 C ATOM 0 H VAL A 99 97.106 4.031 5.082 1.00 0.00 H new ATOM 0 HA VAL A 99 98.644 2.308 3.176 1.00 0.00 H new ATOM 0 HB VAL A 99 97.698 0.868 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.245 0.824 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.927 2.415 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.051 2.193 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.258 -0.534 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.069 0.830 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.667 0.082 2.571 1.00 0.00 H new ATOM 1540 N THR A 100 96.930 2.832 1.378 1.00 0.00 N ATOM 1541 CA THR A 100 96.085 3.417 0.311 1.00 0.00 C ATOM 1542 C THR A 100 95.165 2.329 -0.234 1.00 0.00 C ATOM 1543 O THR A 100 95.505 1.161 -0.226 1.00 0.00 O ATOM 1544 CB THR A 100 96.987 3.939 -0.813 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.629 2.841 -1.453 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.046 4.872 -0.221 1.00 0.00 C ATOM 0 H THR A 100 97.591 2.119 1.069 1.00 0.00 H new ATOM 0 HA THR A 100 95.490 4.239 0.708 1.00 0.00 H new ATOM 0 HB THR A 100 96.385 4.484 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.708 3.023 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.689 5.245 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.556 5.711 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.648 4.325 0.505 1.00 0.00 H new ATOM 1554 N LEU A 101 94.009 2.687 -0.710 1.00 0.00 N ATOM 1555 CA LEU A 101 93.092 1.651 -1.252 1.00 0.00 C ATOM 1556 C LEU A 101 93.675 1.157 -2.577 1.00 0.00 C ATOM 1557 O LEU A 101 93.145 1.421 -3.637 1.00 0.00 O ATOM 1558 CB LEU A 101 91.715 2.278 -1.485 1.00 0.00 C ATOM 1559 CG LEU A 101 91.273 3.000 -0.211 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.836 3.498 -0.370 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.349 2.035 0.973 1.00 0.00 C ATOM 0 H LEU A 101 93.661 3.645 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 101 92.987 0.818 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.757 2.978 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.991 1.508 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 101 91.931 3.851 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.526 4.011 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.781 4.188 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.175 2.650 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.034 2.548 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.693 1.184 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.374 1.684 1.091 1.00 0.00 H new ATOM 1573 N ALA A 102 94.789 0.473 -2.527 1.00 0.00 N ATOM 1574 CA ALA A 102 95.427 0.005 -3.792 1.00 0.00 C ATOM 1575 C ALA A 102 95.141 -1.477 -4.073 1.00 0.00 C ATOM 1576 O ALA A 102 95.198 -1.904 -5.208 1.00 0.00 O ATOM 1577 CB ALA A 102 96.939 0.223 -3.699 1.00 0.00 C ATOM 0 H ALA A 102 95.281 0.220 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 102 95.003 0.582 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.413 -0.117 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.145 1.283 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.337 -0.342 -2.856 1.00 0.00 H new ATOM 1583 N TYR A 103 94.869 -2.281 -3.076 1.00 0.00 N ATOM 1584 CA TYR A 103 94.633 -3.726 -3.368 1.00 0.00 C ATOM 1585 C TYR A 103 93.197 -4.135 -3.017 1.00 0.00 C ATOM 1586 O TYR A 103 92.870 -4.342 -1.864 1.00 0.00 O ATOM 1587 CB TYR A 103 95.610 -4.569 -2.547 1.00 0.00 C ATOM 1588 CG TYR A 103 97.025 -4.230 -2.955 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.696 -3.175 -2.327 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.663 -4.962 -3.966 1.00 0.00 C ATOM 1591 CE1 TYR A 103 99.004 -2.851 -2.705 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.974 -4.636 -4.347 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.643 -3.580 -3.714 1.00 0.00 C ATOM 1594 OH TYR A 103 100.931 -3.253 -4.088 1.00 0.00 O ATOM 0 H TYR A 103 94.801 -2.008 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 103 94.788 -3.892 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.470 -4.377 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.417 -5.630 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 103 97.204 -2.610 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.146 -5.776 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.521 -2.038 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.466 -5.198 -5.127 1.00 0.00 H new ATOM 0 HH TYR A 103 101.228 -3.857 -4.800 1.00 0.00 H new ATOM 1604 N PRO A 104 92.357 -4.294 -4.011 1.00 0.00 N ATOM 1605 CA PRO A 104 90.947 -4.739 -3.809 1.00 0.00 C ATOM 1606 C PRO A 104 90.911 -6.088 -3.097 1.00 0.00 C ATOM 1607 O PRO A 104 91.875 -6.830 -3.117 1.00 0.00 O ATOM 1608 CB PRO A 104 90.398 -4.903 -5.224 1.00 0.00 C ATOM 1609 CG PRO A 104 91.285 -4.083 -6.100 1.00 0.00 C ATOM 1610 CD PRO A 104 92.657 -4.070 -5.433 1.00 0.00 C ATOM 0 HA PRO A 104 90.376 -4.035 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.407 -5.950 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.364 -4.562 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.344 -4.510 -7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.896 -3.071 -6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.304 -4.851 -5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.169 -3.120 -5.589 1.00 0.00 H new ATOM 1618 N VAL A 105 89.821 -6.434 -2.486 1.00 0.00 N ATOM 1619 CA VAL A 105 89.767 -7.755 -1.814 1.00 0.00 C ATOM 1620 C VAL A 105 89.534 -8.823 -2.883 1.00 0.00 C ATOM 1621 O VAL A 105 89.964 -9.953 -2.755 1.00 0.00 O ATOM 1622 CB VAL A 105 88.641 -7.760 -0.787 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.304 -7.560 -1.499 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.627 -9.093 -0.042 1.00 0.00 C ATOM 0 H VAL A 105 88.974 -5.869 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 105 90.701 -7.961 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 105 88.800 -6.952 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.497 -7.563 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.312 -6.606 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 105 87.148 -8.368 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.820 -9.092 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.471 -9.905 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.580 -9.235 0.468 1.00 0.00 H new ATOM 1634 N TYR A 106 88.879 -8.459 -3.954 1.00 0.00 N ATOM 1635 CA TYR A 106 88.637 -9.435 -5.056 1.00 0.00 C ATOM 1636 C TYR A 106 89.442 -9.013 -6.286 1.00 0.00 C ATOM 1637 O TYR A 106 89.053 -9.267 -7.410 1.00 0.00 O ATOM 1638 CB TYR A 106 87.148 -9.482 -5.411 1.00 0.00 C ATOM 1639 CG TYR A 106 86.388 -10.168 -4.307 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.599 -11.528 -4.055 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.475 -9.446 -3.532 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.896 -12.166 -3.028 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.774 -10.083 -2.503 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.984 -11.443 -2.251 1.00 0.00 C ATOM 1645 OH TYR A 106 84.292 -12.072 -1.237 1.00 0.00 O ATOM 0 H TYR A 106 88.500 -7.525 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 106 88.950 -10.426 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.766 -8.471 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 106 87.004 -10.015 -6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.305 -12.085 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.311 -8.397 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.057 -13.216 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.071 -9.525 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 106 83.701 -11.427 -0.795 1.00 0.00 H new ATOM 1655 N ALA A 107 90.564 -8.373 -6.085 1.00 0.00 N ATOM 1656 CA ALA A 107 91.390 -7.941 -7.248 1.00 0.00 C ATOM 1657 C ALA A 107 91.772 -9.169 -8.073 1.00 0.00 C ATOM 1658 O ALA A 107 92.060 -10.220 -7.538 1.00 0.00 O ATOM 1659 CB ALA A 107 92.664 -7.252 -6.752 1.00 0.00 C ATOM 0 H ALA A 107 90.942 -8.132 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 107 90.818 -7.244 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 107 93.264 -6.938 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.397 -6.379 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 107 93.239 -7.947 -6.140 1.00 0.00 H new