USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 837 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 Single : A 1 GLY N :NH3+ -118:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.424 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.666 K(o=-0.67,f=-1.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 7:sc= 1.22 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.481 F(o=-2.3,f=-0.48) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.78) USER MOD Single : A 27 GLN : amide:sc= -3.49! C(o=-3.5!,f=-5.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.9 F(o=-3!,f=-0.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -150:sc= -2.56! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.0316 F(o=-1.4,f=0.032) USER MOD Single : A 49 THR OG1 : rot 160:sc= -0.0268 USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0596) USER MOD Single : A 51 SER OG : rot 60:sc= 0.752 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 101:sc= 0.141 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.3! USER MOD Single : A 65 SER OG : rot -30:sc= -2.08! USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -2.77! USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -13.8! C(o=-15!,f=-14!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00236 X(o=-0.0024,f=-0.057) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -63:sc= 0.169 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 109 THR OG1 : rot -52:sc= 0.359 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 68.613 -3.557 3.722 1.00 0.00 N ATOM 2 CA GLY A 1 68.771 -4.915 3.128 1.00 0.00 C ATOM 3 C GLY A 1 69.505 -4.808 1.790 1.00 0.00 C ATOM 4 O GLY A 1 69.895 -3.737 1.370 1.00 0.00 O ATOM 0 H1 GLY A 1 69.117 -3.515 4.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 69.008 -2.846 3.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 67.603 -3.361 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 69.328 -5.558 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 67.794 -5.375 2.982 1.00 0.00 H new ATOM 10 N SER A 2 69.696 -5.910 1.117 1.00 0.00 N ATOM 11 CA SER A 2 70.405 -5.868 -0.195 1.00 0.00 C ATOM 12 C SER A 2 70.409 -7.259 -0.838 1.00 0.00 C ATOM 13 O SER A 2 69.938 -8.220 -0.264 1.00 0.00 O ATOM 14 CB SER A 2 71.829 -5.426 0.141 1.00 0.00 C ATOM 15 OG SER A 2 72.756 -6.261 -0.542 1.00 0.00 O ATOM 0 H SER A 2 69.393 -6.836 1.418 1.00 0.00 H new ATOM 0 HA SER A 2 69.926 -5.193 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 2 71.977 -4.386 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 71.995 -5.483 1.217 1.00 0.00 H new ATOM 0 HG SER A 2 73.657 -5.885 -0.460 1.00 0.00 H new ATOM 21 N LEU A 3 70.938 -7.370 -2.026 1.00 0.00 N ATOM 22 CA LEU A 3 70.974 -8.697 -2.706 1.00 0.00 C ATOM 23 C LEU A 3 72.387 -9.284 -2.648 1.00 0.00 C ATOM 24 O LEU A 3 72.850 -9.906 -3.583 1.00 0.00 O ATOM 25 CB LEU A 3 70.572 -8.408 -4.154 1.00 0.00 C ATOM 26 CG LEU A 3 70.229 -9.719 -4.862 1.00 0.00 C ATOM 27 CD1 LEU A 3 68.719 -9.791 -5.099 1.00 0.00 C ATOM 28 CD2 LEU A 3 70.958 -9.779 -6.206 1.00 0.00 C ATOM 0 H LEU A 3 71.347 -6.600 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 3 70.311 -9.422 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 3 69.715 -7.735 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.386 -7.904 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 3 70.541 -10.559 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 3 68.474 -10.726 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 3 68.198 -9.748 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 3 68.408 -8.951 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 3 70.714 -10.714 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 3 70.646 -8.939 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 3 72.034 -9.727 -6.039 1.00 0.00 H new ATOM 40 N GLN A 4 73.075 -9.090 -1.556 1.00 0.00 N ATOM 41 CA GLN A 4 74.458 -9.636 -1.440 1.00 0.00 C ATOM 42 C GLN A 4 74.437 -10.981 -0.711 1.00 0.00 C ATOM 43 O GLN A 4 73.711 -11.170 0.245 1.00 0.00 O ATOM 44 CB GLN A 4 75.226 -8.596 -0.624 1.00 0.00 C ATOM 45 CG GLN A 4 76.729 -8.778 -0.846 1.00 0.00 C ATOM 46 CD GLN A 4 77.268 -7.612 -1.677 1.00 0.00 C ATOM 47 OE1 GLN A 4 78.062 -6.826 -1.199 1.00 0.00 O ATOM 48 NE2 GLN A 4 76.867 -7.465 -2.910 1.00 0.00 N ATOM 0 H GLN A 4 72.740 -8.578 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 4 74.916 -9.811 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 4 74.923 -7.591 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 4 74.989 -8.702 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 4 77.246 -8.825 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 4 76.920 -9.722 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 4 76.201 -8.125 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 4 77.220 -6.691 -3.472 1.00 0.00 H new ATOM 57 N ASP A 5 75.229 -11.919 -1.154 1.00 0.00 N ATOM 58 CA ASP A 5 75.254 -13.252 -0.486 1.00 0.00 C ATOM 59 C ASP A 5 75.298 -13.079 1.034 1.00 0.00 C ATOM 60 O ASP A 5 76.013 -12.246 1.554 1.00 0.00 O ATOM 61 CB ASP A 5 76.534 -13.922 -0.988 1.00 0.00 C ATOM 62 CG ASP A 5 76.204 -14.824 -2.178 1.00 0.00 C ATOM 63 OD1 ASP A 5 75.097 -15.338 -2.218 1.00 0.00 O ATOM 64 OD2 ASP A 5 77.063 -14.986 -3.030 1.00 0.00 O ATOM 0 H ASP A 5 75.860 -11.820 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 5 74.368 -13.846 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 5 77.262 -13.166 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 76.988 -14.508 -0.189 1.00 0.00 H new ATOM 69 N ASN A 6 74.535 -13.859 1.751 1.00 0.00 N ATOM 70 CA ASN A 6 74.532 -13.736 3.238 1.00 0.00 C ATOM 71 C ASN A 6 74.457 -15.123 3.884 1.00 0.00 C ATOM 72 O ASN A 6 74.232 -16.116 3.221 1.00 0.00 O ATOM 73 CB ASN A 6 73.276 -12.926 3.562 1.00 0.00 C ATOM 74 CG ASN A 6 72.036 -13.795 3.341 1.00 0.00 C ATOM 75 OD1 ASN A 6 71.548 -14.421 4.261 1.00 0.00 O ATOM 76 ND2 ASN A 6 71.504 -13.862 2.152 1.00 0.00 N ATOM 0 H ASN A 6 73.915 -14.575 1.373 1.00 0.00 H new ATOM 0 HA ASN A 6 75.436 -13.259 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 6 73.311 -12.579 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 6 73.229 -12.039 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 6 70.678 -14.440 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 6 71.914 -13.337 1.380 1.00 0.00 H new ATOM 83 N SER A 7 74.643 -15.196 5.174 1.00 0.00 N ATOM 84 CA SER A 7 74.581 -16.518 5.863 1.00 0.00 C ATOM 85 C SER A 7 75.637 -17.465 5.287 1.00 0.00 C ATOM 86 O SER A 7 75.324 -18.400 4.576 1.00 0.00 O ATOM 87 CB SER A 7 73.176 -17.046 5.581 1.00 0.00 C ATOM 88 OG SER A 7 72.513 -17.296 6.813 1.00 0.00 O ATOM 0 H SER A 7 74.835 -14.399 5.781 1.00 0.00 H new ATOM 0 HA SER A 7 74.778 -16.436 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 7 72.614 -16.321 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 7 73.230 -17.961 4.992 1.00 0.00 H new ATOM 0 HG SER A 7 71.610 -17.633 6.636 1.00 0.00 H new ATOM 94 N SER A 8 76.885 -17.233 5.589 1.00 0.00 N ATOM 95 CA SER A 8 77.958 -18.122 5.060 1.00 0.00 C ATOM 96 C SER A 8 79.241 -17.948 5.880 1.00 0.00 C ATOM 97 O SER A 8 79.421 -18.576 6.903 1.00 0.00 O ATOM 98 CB SER A 8 78.171 -17.670 3.615 1.00 0.00 C ATOM 99 OG SER A 8 77.165 -18.246 2.791 1.00 0.00 O ATOM 0 H SER A 8 77.208 -16.466 6.179 1.00 0.00 H new ATOM 0 HA SER A 8 77.689 -19.177 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 8 78.131 -16.583 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 8 79.159 -17.973 3.269 1.00 0.00 H new ATOM 0 HG SER A 8 76.504 -18.703 3.352 1.00 0.00 H new ATOM 105 N TYR A 9 80.135 -17.102 5.442 1.00 0.00 N ATOM 106 CA TYR A 9 81.400 -16.896 6.202 1.00 0.00 C ATOM 107 C TYR A 9 82.044 -15.562 5.812 1.00 0.00 C ATOM 108 O TYR A 9 82.147 -15.241 4.644 1.00 0.00 O ATOM 109 CB TYR A 9 82.300 -18.063 5.794 1.00 0.00 C ATOM 110 CG TYR A 9 82.305 -19.105 6.888 1.00 0.00 C ATOM 111 CD1 TYR A 9 83.198 -18.988 7.962 1.00 0.00 C ATOM 112 CD2 TYR A 9 81.419 -20.187 6.830 1.00 0.00 C ATOM 113 CE1 TYR A 9 83.203 -19.953 8.975 1.00 0.00 C ATOM 114 CE2 TYR A 9 81.425 -21.152 7.843 1.00 0.00 C ATOM 115 CZ TYR A 9 82.316 -21.036 8.916 1.00 0.00 C ATOM 116 OH TYR A 9 82.323 -21.988 9.915 1.00 0.00 O ATOM 0 H TYR A 9 80.043 -16.546 4.592 1.00 0.00 H new ATOM 0 HA TYR A 9 81.233 -16.864 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 9 81.944 -18.501 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 9 83.314 -17.707 5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 9 83.882 -18.153 8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 9 80.730 -20.277 6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 9 83.891 -19.863 9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 9 80.742 -21.987 7.797 1.00 0.00 H new ATOM 0 HH TYR A 9 81.646 -22.670 9.722 1.00 0.00 H new ATOM 126 N PRO A 10 82.460 -14.829 6.809 1.00 0.00 N ATOM 127 CA PRO A 10 83.105 -13.514 6.570 1.00 0.00 C ATOM 128 C PRO A 10 84.332 -13.683 5.669 1.00 0.00 C ATOM 129 O PRO A 10 84.685 -14.780 5.286 1.00 0.00 O ATOM 130 CB PRO A 10 83.518 -13.040 7.964 1.00 0.00 C ATOM 131 CG PRO A 10 82.713 -13.859 8.923 1.00 0.00 C ATOM 132 CD PRO A 10 82.370 -15.152 8.234 1.00 0.00 C ATOM 0 HA PRO A 10 82.447 -12.804 6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 10 84.586 -13.184 8.126 1.00 0.00 H new ATOM 0 HB3 PRO A 10 83.317 -11.976 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 10 83.279 -14.049 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 10 81.807 -13.328 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 10 83.064 -15.946 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 10 81.371 -15.495 8.503 1.00 0.00 H new ATOM 140 N ASP A 11 84.986 -12.605 5.327 1.00 0.00 N ATOM 141 CA ASP A 11 86.188 -12.710 4.450 1.00 0.00 C ATOM 142 C ASP A 11 85.825 -13.423 3.145 1.00 0.00 C ATOM 143 O ASP A 11 85.547 -14.606 3.130 1.00 0.00 O ATOM 144 CB ASP A 11 87.193 -13.535 5.253 1.00 0.00 C ATOM 145 CG ASP A 11 88.173 -12.600 5.963 1.00 0.00 C ATOM 146 OD1 ASP A 11 87.825 -11.447 6.157 1.00 0.00 O ATOM 147 OD2 ASP A 11 89.255 -13.052 6.300 1.00 0.00 O ATOM 0 H ASP A 11 84.740 -11.658 5.616 1.00 0.00 H new ATOM 0 HA ASP A 11 86.590 -11.734 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 11 86.671 -14.153 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 11 87.734 -14.212 4.592 1.00 0.00 H new ATOM 152 N GLU A 12 85.824 -12.715 2.049 1.00 0.00 N ATOM 153 CA GLU A 12 85.477 -13.359 0.749 1.00 0.00 C ATOM 154 C GLU A 12 85.900 -12.466 -0.423 1.00 0.00 C ATOM 155 O GLU A 12 86.747 -12.842 -1.210 1.00 0.00 O ATOM 156 CB GLU A 12 83.957 -13.527 0.783 1.00 0.00 C ATOM 157 CG GLU A 12 83.606 -14.916 1.319 1.00 0.00 C ATOM 158 CD GLU A 12 82.221 -15.325 0.814 1.00 0.00 C ATOM 159 OE1 GLU A 12 81.246 -14.932 1.435 1.00 0.00 O ATOM 160 OE2 GLU A 12 82.159 -16.025 -0.183 1.00 0.00 O ATOM 0 H GLU A 12 86.048 -11.721 1.996 1.00 0.00 H new ATOM 0 HA GLU A 12 85.988 -14.312 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 12 83.510 -12.759 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 12 83.544 -13.397 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 12 84.352 -15.642 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 12 83.620 -14.911 2.409 1.00 0.00 H new ATOM 167 N PRO A 13 85.296 -11.309 -0.501 1.00 0.00 N ATOM 168 CA PRO A 13 85.620 -10.357 -1.591 1.00 0.00 C ATOM 169 C PRO A 13 87.134 -10.151 -1.688 1.00 0.00 C ATOM 170 O PRO A 13 87.706 -10.182 -2.759 1.00 0.00 O ATOM 171 CB PRO A 13 84.915 -9.059 -1.184 1.00 0.00 C ATOM 172 CG PRO A 13 84.367 -9.293 0.194 1.00 0.00 C ATOM 173 CD PRO A 13 84.274 -10.779 0.398 1.00 0.00 C ATOM 0 HA PRO A 13 85.296 -10.712 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 13 85.611 -8.220 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 13 84.116 -8.814 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 13 85.015 -8.843 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 13 83.386 -8.829 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 13 84.468 -11.055 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 13 83.283 -11.158 0.148 1.00 0.00 H new ATOM 181 N TRP A 14 87.790 -9.944 -0.578 1.00 0.00 N ATOM 182 CA TRP A 14 89.267 -9.739 -0.616 1.00 0.00 C ATOM 183 C TRP A 14 89.988 -11.083 -0.482 1.00 0.00 C ATOM 184 O TRP A 14 91.105 -11.247 -0.932 1.00 0.00 O ATOM 185 CB TRP A 14 89.576 -8.843 0.583 1.00 0.00 C ATOM 186 CG TRP A 14 90.073 -7.520 0.098 1.00 0.00 C ATOM 187 CD1 TRP A 14 91.332 -7.054 0.265 1.00 0.00 C ATOM 188 CD2 TRP A 14 89.347 -6.486 -0.628 1.00 0.00 C ATOM 189 NE1 TRP A 14 91.425 -5.800 -0.314 1.00 0.00 N ATOM 190 CE2 TRP A 14 90.228 -5.407 -0.877 1.00 0.00 C ATOM 191 CE3 TRP A 14 88.023 -6.382 -1.092 1.00 0.00 C ATOM 192 CZ2 TRP A 14 89.809 -4.264 -1.560 1.00 0.00 C ATOM 193 CZ3 TRP A 14 87.599 -5.233 -1.779 1.00 0.00 C ATOM 194 CH2 TRP A 14 88.490 -4.176 -2.012 1.00 0.00 C ATOM 0 H TRP A 14 87.369 -9.908 0.350 1.00 0.00 H new ATOM 0 HA TRP A 14 89.598 -9.291 -1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 14 88.681 -8.707 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 14 90.325 -9.314 1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 14 92.133 -7.575 0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 14 92.275 -5.236 -0.323 1.00 0.00 H new ATOM 0 HE3 TRP A 14 87.328 -7.191 -0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 90.500 -3.453 -1.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 86.580 -5.163 -2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 14 88.157 -3.295 -2.540 1.00 0.00 H new ATOM 205 N ARG A 15 89.356 -12.047 0.129 1.00 0.00 N ATOM 206 CA ARG A 15 90.004 -13.380 0.287 1.00 0.00 C ATOM 207 C ARG A 15 91.279 -13.257 1.126 1.00 0.00 C ATOM 208 O ARG A 15 92.220 -12.585 0.750 1.00 0.00 O ATOM 209 CB ARG A 15 90.344 -13.827 -1.135 1.00 0.00 C ATOM 210 CG ARG A 15 89.923 -15.286 -1.328 1.00 0.00 C ATOM 211 CD ARG A 15 91.165 -16.179 -1.324 1.00 0.00 C ATOM 212 NE ARG A 15 91.069 -16.978 -2.578 1.00 0.00 N ATOM 213 CZ ARG A 15 91.950 -16.812 -3.527 1.00 0.00 C ATOM 214 NH1 ARG A 15 93.225 -16.845 -3.247 1.00 0.00 N ATOM 215 NH2 ARG A 15 91.557 -16.613 -4.755 1.00 0.00 N ATOM 0 H ARG A 15 88.419 -11.970 0.526 1.00 0.00 H new ATOM 0 HA ARG A 15 89.356 -14.093 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 15 89.833 -13.192 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 15 91.414 -13.720 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 15 89.242 -15.588 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 15 89.384 -15.399 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 15 92.078 -15.585 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 15 91.185 -16.824 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 15 90.315 -17.655 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 15 93.532 -17.000 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 15 93.913 -16.715 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 15 90.561 -16.587 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 15 92.246 -16.483 -5.496 1.00 0.00 H new ATOM 229 N ILE A 16 91.318 -13.904 2.258 1.00 0.00 N ATOM 230 CA ILE A 16 92.533 -13.831 3.118 1.00 0.00 C ATOM 231 C ILE A 16 92.360 -14.730 4.347 1.00 0.00 C ATOM 232 O ILE A 16 91.645 -15.712 4.313 1.00 0.00 O ATOM 233 CB ILE A 16 92.654 -12.351 3.513 1.00 0.00 C ATOM 234 CG1 ILE A 16 94.118 -12.023 3.814 1.00 0.00 C ATOM 235 CG2 ILE A 16 91.799 -12.050 4.748 1.00 0.00 C ATOM 236 CD1 ILE A 16 94.600 -10.927 2.863 1.00 0.00 C ATOM 0 H ILE A 16 90.561 -14.480 2.625 1.00 0.00 H new ATOM 0 HA ILE A 16 93.432 -14.178 2.608 1.00 0.00 H new ATOM 0 HB ILE A 16 92.299 -11.738 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 16 94.223 -11.694 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 16 94.733 -12.916 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.898 -10.997 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.754 -12.273 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.135 -12.666 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 16 95.643 -10.693 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 16 94.509 -11.273 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 16 93.992 -10.033 3.000 1.00 0.00 H new ATOM 248 N THR A 17 93.010 -14.405 5.427 1.00 0.00 N ATOM 249 CA THR A 17 92.884 -15.244 6.655 1.00 0.00 C ATOM 250 C THR A 17 93.565 -14.552 7.837 1.00 0.00 C ATOM 251 O THR A 17 94.774 -14.529 7.939 1.00 0.00 O ATOM 252 CB THR A 17 93.595 -16.554 6.313 1.00 0.00 C ATOM 253 OG1 THR A 17 93.799 -17.305 7.502 1.00 0.00 O ATOM 254 CG2 THR A 17 94.945 -16.251 5.661 1.00 0.00 C ATOM 0 H THR A 17 93.624 -13.595 5.515 1.00 0.00 H new ATOM 0 HA THR A 17 91.845 -15.409 6.941 1.00 0.00 H new ATOM 0 HB THR A 17 92.981 -17.129 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 17 94.253 -18.146 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 17 95.450 -17.186 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 17 94.787 -15.676 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 17 95.561 -15.675 6.351 1.00 0.00 H new ATOM 262 N GLU A 18 92.793 -13.982 8.724 1.00 0.00 N ATOM 263 CA GLU A 18 93.384 -13.280 9.903 1.00 0.00 C ATOM 264 C GLU A 18 94.643 -12.514 9.490 1.00 0.00 C ATOM 265 O GLU A 18 95.538 -12.296 10.283 1.00 0.00 O ATOM 266 CB GLU A 18 93.720 -14.386 10.907 1.00 0.00 C ATOM 267 CG GLU A 18 94.930 -15.184 10.417 1.00 0.00 C ATOM 268 CD GLU A 18 95.456 -16.064 11.552 1.00 0.00 C ATOM 269 OE1 GLU A 18 96.133 -15.536 12.419 1.00 0.00 O ATOM 270 OE2 GLU A 18 95.173 -17.251 11.536 1.00 0.00 O ATOM 0 H GLU A 18 91.774 -13.972 8.683 1.00 0.00 H new ATOM 0 HA GLU A 18 92.699 -12.547 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 18 93.932 -13.951 11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.863 -15.048 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.650 -15.802 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 18 95.712 -14.506 10.076 1.00 0.00 H new ATOM 277 N GLU A 19 94.713 -12.096 8.256 1.00 0.00 N ATOM 278 CA GLU A 19 95.902 -11.338 7.788 1.00 0.00 C ATOM 279 C GLU A 19 95.474 -9.936 7.356 1.00 0.00 C ATOM 280 O GLU A 19 96.288 -9.051 7.177 1.00 0.00 O ATOM 281 CB GLU A 19 96.445 -12.132 6.599 1.00 0.00 C ATOM 282 CG GLU A 19 97.604 -13.017 7.065 1.00 0.00 C ATOM 283 CD GLU A 19 98.500 -13.355 5.872 1.00 0.00 C ATOM 284 OE1 GLU A 19 98.031 -13.239 4.752 1.00 0.00 O ATOM 285 OE2 GLU A 19 99.641 -13.723 6.101 1.00 0.00 O ATOM 0 H GLU A 19 93.993 -12.249 7.550 1.00 0.00 H new ATOM 0 HA GLU A 19 96.658 -11.221 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 19 95.655 -12.746 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 19 96.784 -11.452 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.182 -12.503 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.219 -13.932 7.515 1.00 0.00 H new ATOM 292 N GLN A 20 94.195 -9.724 7.206 1.00 0.00 N ATOM 293 CA GLN A 20 93.706 -8.382 6.806 1.00 0.00 C ATOM 294 C GLN A 20 92.953 -7.754 7.975 1.00 0.00 C ATOM 295 O GLN A 20 92.943 -6.553 8.151 1.00 0.00 O ATOM 296 CB GLN A 20 92.773 -8.623 5.610 1.00 0.00 C ATOM 297 CG GLN A 20 91.407 -9.130 6.089 1.00 0.00 C ATOM 298 CD GLN A 20 90.385 -8.977 4.959 1.00 0.00 C ATOM 299 OE1 GLN A 20 90.799 -8.926 3.723 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 89.197 -8.903 5.205 1.00 0.00 N flip ATOM 0 H GLN A 20 93.469 -10.427 7.344 1.00 0.00 H new ATOM 0 HA GLN A 20 94.514 -7.701 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 20 92.647 -7.698 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 20 93.221 -9.350 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 20 91.479 -10.175 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 20 91.084 -8.567 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 20 88.873 -8.943 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 20 88.524 -8.801 4.445 1.00 0.00 H new ATOM 309 N ARG A 21 92.327 -8.568 8.783 1.00 0.00 N ATOM 310 CA ARG A 21 91.578 -8.036 9.953 1.00 0.00 C ATOM 311 C ARG A 21 92.553 -7.404 10.945 1.00 0.00 C ATOM 312 O ARG A 21 92.165 -6.670 11.833 1.00 0.00 O ATOM 313 CB ARG A 21 90.897 -9.257 10.569 1.00 0.00 C ATOM 314 CG ARG A 21 89.461 -8.904 10.954 1.00 0.00 C ATOM 315 CD ARG A 21 89.210 -9.296 12.413 1.00 0.00 C ATOM 316 NE ARG A 21 89.122 -10.784 12.400 1.00 0.00 N ATOM 317 CZ ARG A 21 88.009 -11.368 12.049 1.00 0.00 C ATOM 318 NH1 ARG A 21 87.057 -10.677 11.486 1.00 0.00 N ATOM 319 NH2 ARG A 21 87.850 -12.647 12.263 1.00 0.00 N ATOM 0 H ARG A 21 92.304 -9.583 8.680 1.00 0.00 H new ATOM 0 HA ARG A 21 90.857 -7.266 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 21 90.901 -10.085 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 21 91.449 -9.589 11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.290 -7.836 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 21 88.760 -9.424 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 21 90.018 -8.954 13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 21 88.290 -8.849 12.790 1.00 0.00 H new ATOM 0 HE ARG A 21 89.931 -11.345 12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 21 87.182 -9.678 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 86.188 -11.135 11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 21 88.595 -13.187 12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 21 86.981 -13.106 11.990 1.00 0.00 H new ATOM 333 N GLU A 22 93.818 -7.683 10.797 1.00 0.00 N ATOM 334 CA GLU A 22 94.825 -7.099 11.726 1.00 0.00 C ATOM 335 C GLU A 22 95.001 -5.609 11.430 1.00 0.00 C ATOM 336 O GLU A 22 94.834 -4.770 12.294 1.00 0.00 O ATOM 337 CB GLU A 22 96.118 -7.863 11.438 1.00 0.00 C ATOM 338 CG GLU A 22 95.924 -9.342 11.775 1.00 0.00 C ATOM 339 CD GLU A 22 97.260 -10.074 11.648 1.00 0.00 C ATOM 340 OE1 GLU A 22 98.254 -9.414 11.391 1.00 0.00 O ATOM 341 OE2 GLU A 22 97.270 -11.284 11.809 1.00 0.00 O ATOM 0 H GLU A 22 94.198 -8.291 10.072 1.00 0.00 H new ATOM 0 HA GLU A 22 94.529 -7.185 12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 96.393 -7.751 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 22 96.936 -7.449 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 22 95.535 -9.447 12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 22 95.189 -9.786 11.103 1.00 0.00 H new ATOM 348 N TYR A 23 95.333 -5.273 10.215 1.00 0.00 N ATOM 349 CA TYR A 23 95.515 -3.837 9.864 1.00 0.00 C ATOM 350 C TYR A 23 94.157 -3.176 9.612 1.00 0.00 C ATOM 351 O TYR A 23 94.037 -1.967 9.607 1.00 0.00 O ATOM 352 CB TYR A 23 96.357 -3.841 8.588 1.00 0.00 C ATOM 353 CG TYR A 23 96.854 -2.443 8.310 1.00 0.00 C ATOM 354 CD1 TYR A 23 96.036 -1.531 7.631 1.00 0.00 C ATOM 355 CD2 TYR A 23 98.132 -2.056 8.731 1.00 0.00 C ATOM 356 CE1 TYR A 23 96.496 -0.234 7.374 1.00 0.00 C ATOM 357 CE2 TYR A 23 98.592 -0.760 8.473 1.00 0.00 C ATOM 358 CZ TYR A 23 97.774 0.152 7.795 1.00 0.00 C ATOM 359 OH TYR A 23 98.228 1.430 7.542 1.00 0.00 O ATOM 0 H TYR A 23 95.486 -5.930 9.450 1.00 0.00 H new ATOM 0 HA TYR A 23 95.996 -3.276 10.665 1.00 0.00 H new ATOM 0 HB2 TYR A 23 97.200 -4.523 8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.763 -4.201 7.748 1.00 0.00 H new ATOM 0 HD1 TYR A 23 95.050 -1.828 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.763 -2.758 9.255 1.00 0.00 H new ATOM 0 HE1 TYR A 23 95.865 0.469 6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 23 99.579 -0.463 8.797 1.00 0.00 H new ATOM 0 HH TYR A 23 99.134 1.533 7.902 1.00 0.00 H new ATOM 369 N TYR A 24 93.132 -3.960 9.409 1.00 0.00 N ATOM 370 CA TYR A 24 91.784 -3.371 9.165 1.00 0.00 C ATOM 371 C TYR A 24 91.146 -2.971 10.498 1.00 0.00 C ATOM 372 O TYR A 24 90.637 -1.879 10.651 1.00 0.00 O ATOM 373 CB TYR A 24 90.973 -4.481 8.490 1.00 0.00 C ATOM 374 CG TYR A 24 91.139 -4.395 6.990 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.103 -3.148 6.351 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.331 -5.562 6.234 1.00 0.00 C ATOM 377 CE1 TYR A 24 91.257 -3.067 4.962 1.00 0.00 C ATOM 378 CE2 TYR A 24 91.484 -5.478 4.844 1.00 0.00 C ATOM 379 CZ TYR A 24 91.448 -4.231 4.210 1.00 0.00 C ATOM 380 OH TYR A 24 91.599 -4.150 2.841 1.00 0.00 O ATOM 0 H TYR A 24 93.170 -4.979 9.402 1.00 0.00 H new ATOM 0 HA TYR A 24 91.828 -2.475 8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 24 91.306 -5.456 8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.920 -4.387 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 24 90.956 -2.249 6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 24 91.361 -6.524 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 24 91.228 -2.106 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 24 91.630 -6.376 4.262 1.00 0.00 H new ATOM 0 HH TYR A 24 91.723 -5.049 2.472 1.00 0.00 H new ATOM 390 N VAL A 25 91.175 -3.848 11.463 1.00 0.00 N ATOM 391 CA VAL A 25 90.576 -3.517 12.788 1.00 0.00 C ATOM 392 C VAL A 25 91.432 -2.468 13.501 1.00 0.00 C ATOM 393 O VAL A 25 90.959 -1.736 14.346 1.00 0.00 O ATOM 394 CB VAL A 25 90.577 -4.832 13.566 1.00 0.00 C ATOM 395 CG1 VAL A 25 90.119 -4.574 15.002 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.623 -5.822 12.895 1.00 0.00 C ATOM 0 H VAL A 25 91.587 -4.779 11.392 1.00 0.00 H new ATOM 0 HA VAL A 25 89.572 -3.102 12.698 1.00 0.00 H new ATOM 0 HB VAL A 25 91.584 -5.249 13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 25 90.119 -5.512 15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 90.799 -3.869 15.480 1.00 0.00 H new ATOM 0 HG13 VAL A 25 89.112 -4.158 14.993 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.623 -6.760 13.450 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.615 -5.407 12.885 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.950 -6.005 11.871 1.00 0.00 H new ATOM 406 N ASN A 26 92.692 -2.391 13.164 1.00 0.00 N ATOM 407 CA ASN A 26 93.577 -1.387 13.821 1.00 0.00 C ATOM 408 C ASN A 26 93.236 0.020 13.326 1.00 0.00 C ATOM 409 O ASN A 26 93.556 1.006 13.959 1.00 0.00 O ATOM 410 CB ASN A 26 94.995 -1.775 13.403 1.00 0.00 C ATOM 411 CG ASN A 26 95.966 -0.660 13.799 1.00 0.00 C ATOM 412 OD1 ASN A 26 96.130 0.303 13.076 1.00 0.00 O ATOM 413 ND2 ASN A 26 96.619 -0.751 14.924 1.00 0.00 N ATOM 0 H ASN A 26 93.145 -2.978 12.464 1.00 0.00 H new ATOM 0 HA ASN A 26 93.461 -1.379 14.905 1.00 0.00 H new ATOM 0 HB2 ASN A 26 95.284 -2.711 13.882 1.00 0.00 H new ATOM 0 HB3 ASN A 26 95.036 -1.942 12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.268 -0.013 15.198 1.00 0.00 H new ATOM 0 HD22 ASN A 26 96.481 -1.560 15.530 1.00 0.00 H new ATOM 420 N GLN A 27 92.582 0.122 12.201 1.00 0.00 N ATOM 421 CA GLN A 27 92.216 1.461 11.669 1.00 0.00 C ATOM 422 C GLN A 27 90.881 1.903 12.282 1.00 0.00 C ATOM 423 O GLN A 27 90.799 2.915 12.950 1.00 0.00 O ATOM 424 CB GLN A 27 92.106 1.247 10.152 1.00 0.00 C ATOM 425 CG GLN A 27 91.048 2.176 9.556 1.00 0.00 C ATOM 426 CD GLN A 27 91.505 3.629 9.697 1.00 0.00 C ATOM 427 OE1 GLN A 27 90.732 4.486 10.081 1.00 0.00 O ATOM 428 NE2 GLN A 27 92.736 3.945 9.402 1.00 0.00 N ATOM 0 H GLN A 27 92.286 -0.668 11.628 1.00 0.00 H new ATOM 0 HA GLN A 27 92.938 2.242 11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 27 93.071 1.435 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.847 0.209 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.888 1.935 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 27 90.095 2.033 10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 27 93.384 3.226 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 27 93.050 4.911 9.493 1.00 0.00 H new ATOM 437 N PHE A 28 89.839 1.147 12.070 1.00 0.00 N ATOM 438 CA PHE A 28 88.519 1.520 12.652 1.00 0.00 C ATOM 439 C PHE A 28 88.638 1.606 14.174 1.00 0.00 C ATOM 440 O PHE A 28 87.917 2.336 14.824 1.00 0.00 O ATOM 441 CB PHE A 28 87.571 0.389 12.238 1.00 0.00 C ATOM 442 CG PHE A 28 86.276 0.490 13.012 1.00 0.00 C ATOM 443 CD1 PHE A 28 86.247 0.194 14.382 1.00 0.00 C ATOM 444 CD2 PHE A 28 85.100 0.873 12.356 1.00 0.00 C ATOM 445 CE1 PHE A 28 85.045 0.284 15.093 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.898 0.962 13.067 1.00 0.00 C ATOM 447 CZ PHE A 28 83.870 0.667 14.435 1.00 0.00 C ATOM 0 H PHE A 28 89.844 0.288 11.520 1.00 0.00 H new ATOM 0 HA PHE A 28 88.160 2.489 12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.370 0.445 11.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 88.041 -0.577 12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 28 87.153 -0.104 14.889 1.00 0.00 H new ATOM 0 HD2 PHE A 28 85.120 1.100 11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.024 0.058 16.149 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.992 1.258 12.560 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.942 0.735 14.983 1.00 0.00 H new ATOM 457 N ARG A 29 89.547 0.864 14.748 1.00 0.00 N ATOM 458 CA ARG A 29 89.720 0.903 16.229 1.00 0.00 C ATOM 459 C ARG A 29 90.216 2.285 16.660 1.00 0.00 C ATOM 460 O ARG A 29 89.734 2.856 17.619 1.00 0.00 O ATOM 461 CB ARG A 29 90.770 -0.165 16.534 1.00 0.00 C ATOM 462 CG ARG A 29 91.224 -0.034 17.990 1.00 0.00 C ATOM 463 CD ARG A 29 92.738 0.189 18.035 1.00 0.00 C ATOM 464 NE ARG A 29 92.998 0.810 19.362 1.00 0.00 N ATOM 465 CZ ARG A 29 92.560 0.234 20.450 1.00 0.00 C ATOM 466 NH1 ARG A 29 92.938 -0.979 20.744 1.00 0.00 N ATOM 467 NH2 ARG A 29 91.744 0.874 21.242 1.00 0.00 N ATOM 0 H ARG A 29 90.178 0.232 14.255 1.00 0.00 H new ATOM 0 HA ARG A 29 88.788 0.717 16.762 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.356 -1.158 16.359 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.623 -0.053 15.865 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.709 0.798 18.469 1.00 0.00 H new ATOM 0 HG3 ARG A 29 90.962 -0.934 18.546 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.279 -0.751 17.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 93.065 0.840 17.224 1.00 0.00 H new ATOM 0 HE ARG A 29 93.518 1.685 19.422 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.576 -1.479 20.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.596 -1.428 21.593 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.449 1.823 21.011 1.00 0.00 H new ATOM 0 HH22 ARG A 29 91.401 0.426 22.092 1.00 0.00 H new ATOM 481 N SER A 30 91.170 2.830 15.957 1.00 0.00 N ATOM 482 CA SER A 30 91.688 4.179 16.326 1.00 0.00 C ATOM 483 C SER A 30 90.517 5.137 16.556 1.00 0.00 C ATOM 484 O SER A 30 90.627 6.107 17.279 1.00 0.00 O ATOM 485 CB SER A 30 92.520 4.625 15.127 1.00 0.00 C ATOM 486 OG SER A 30 92.975 5.956 15.339 1.00 0.00 O ATOM 0 H SER A 30 91.613 2.401 15.144 1.00 0.00 H new ATOM 0 HA SER A 30 92.277 4.165 17.243 1.00 0.00 H new ATOM 0 HB2 SER A 30 93.369 3.956 14.990 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.923 4.573 14.216 1.00 0.00 H new ATOM 0 HG SER A 30 93.511 6.245 14.571 1.00 0.00 H new ATOM 492 N LEU A 31 89.397 4.867 15.944 1.00 0.00 N ATOM 493 CA LEU A 31 88.215 5.753 16.123 1.00 0.00 C ATOM 494 C LEU A 31 87.220 5.111 17.093 1.00 0.00 C ATOM 495 O LEU A 31 86.432 5.785 17.726 1.00 0.00 O ATOM 496 CB LEU A 31 87.600 5.881 14.727 1.00 0.00 C ATOM 497 CG LEU A 31 88.674 6.328 13.732 1.00 0.00 C ATOM 498 CD1 LEU A 31 88.397 5.700 12.364 1.00 0.00 C ATOM 499 CD2 LEU A 31 88.651 7.851 13.606 1.00 0.00 C ATOM 0 H LEU A 31 89.250 4.069 15.326 1.00 0.00 H new ATOM 0 HA LEU A 31 88.483 6.724 16.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.177 4.926 14.416 1.00 0.00 H new ATOM 0 HB3 LEU A 31 86.782 6.602 14.743 1.00 0.00 H new ATOM 0 HG LEU A 31 89.653 6.007 14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 31 89.162 6.019 11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.414 4.614 12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.418 6.020 12.008 1.00 0.00 H new ATOM 0 HD21 LEU A 31 89.416 8.169 12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.672 8.172 13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 31 88.849 8.300 14.579 1.00 0.00 H new ATOM 511 N GLN A 32 87.253 3.812 17.216 1.00 0.00 N ATOM 512 CA GLN A 32 86.314 3.124 18.144 1.00 0.00 C ATOM 513 C GLN A 32 87.090 2.241 19.126 1.00 0.00 C ATOM 514 O GLN A 32 87.615 1.211 18.754 1.00 0.00 O ATOM 515 CB GLN A 32 85.419 2.271 17.245 1.00 0.00 C ATOM 516 CG GLN A 32 84.063 2.958 17.072 1.00 0.00 C ATOM 517 CD GLN A 32 83.468 3.273 18.447 1.00 0.00 C ATOM 518 OE1 GLN A 32 83.875 2.602 19.491 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 82.625 4.138 18.574 1.00 0.00 N flip ATOM 0 H GLN A 32 87.892 3.197 16.712 1.00 0.00 H new ATOM 0 HA GLN A 32 85.736 3.829 18.742 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.892 2.128 16.274 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.284 1.282 17.682 1.00 0.00 H new ATOM 0 HG2 GLN A 32 84.180 3.876 16.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 83.386 2.314 16.511 1.00 0.00 H new ATOM 0 HE21 GLN A 32 82.306 4.663 17.760 1.00 0.00 H new ATOM 0 HE22 GLN A 32 82.236 4.340 19.495 1.00 0.00 H new ATOM 528 N PRO A 33 87.135 2.680 20.355 1.00 0.00 N ATOM 529 CA PRO A 33 87.855 1.926 21.410 1.00 0.00 C ATOM 530 C PRO A 33 87.156 0.590 21.681 1.00 0.00 C ATOM 531 O PRO A 33 87.791 -0.424 21.893 1.00 0.00 O ATOM 532 CB PRO A 33 87.782 2.832 22.643 1.00 0.00 C ATOM 533 CG PRO A 33 87.267 4.155 22.157 1.00 0.00 C ATOM 534 CD PRO A 33 86.531 3.907 20.869 1.00 0.00 C ATOM 0 HA PRO A 33 88.881 1.690 21.129 1.00 0.00 H new ATOM 0 HB2 PRO A 33 87.119 2.410 23.398 1.00 0.00 H new ATOM 0 HB3 PRO A 33 88.763 2.942 23.105 1.00 0.00 H new ATOM 0 HG2 PRO A 33 86.605 4.604 22.897 1.00 0.00 H new ATOM 0 HG3 PRO A 33 88.090 4.853 22.001 1.00 0.00 H new ATOM 0 HD2 PRO A 33 85.461 3.787 21.036 1.00 0.00 H new ATOM 0 HD3 PRO A 33 86.653 4.736 20.172 1.00 0.00 H new ATOM 542 N ASP A 34 85.854 0.587 21.676 1.00 0.00 N ATOM 543 CA ASP A 34 85.108 -0.679 21.936 1.00 0.00 C ATOM 544 C ASP A 34 85.476 -1.735 20.888 1.00 0.00 C ATOM 545 O ASP A 34 85.445 -1.471 19.703 1.00 0.00 O ATOM 546 CB ASP A 34 83.632 -0.298 21.816 1.00 0.00 C ATOM 547 CG ASP A 34 82.905 -0.652 23.116 1.00 0.00 C ATOM 548 OD1 ASP A 34 82.508 -1.797 23.256 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.760 0.227 23.948 1.00 0.00 O ATOM 0 H ASP A 34 85.271 1.406 21.503 1.00 0.00 H new ATOM 0 HA ASP A 34 85.343 -1.105 22.912 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.536 0.769 21.612 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.177 -0.825 20.977 1.00 0.00 H new ATOM 554 N PRO A 35 85.813 -2.905 21.366 1.00 0.00 N ATOM 555 CA PRO A 35 86.190 -4.016 20.457 1.00 0.00 C ATOM 556 C PRO A 35 84.981 -4.450 19.622 1.00 0.00 C ATOM 557 O PRO A 35 85.121 -5.006 18.552 1.00 0.00 O ATOM 558 CB PRO A 35 86.627 -5.137 21.401 1.00 0.00 C ATOM 559 CG PRO A 35 86.040 -4.791 22.734 1.00 0.00 C ATOM 560 CD PRO A 35 85.871 -3.295 22.776 1.00 0.00 C ATOM 0 HA PRO A 35 86.972 -3.740 19.750 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.267 -6.105 21.053 1.00 0.00 H new ATOM 0 HB3 PRO A 35 87.714 -5.202 21.456 1.00 0.00 H new ATOM 0 HG2 PRO A 35 85.081 -5.290 22.872 1.00 0.00 H new ATOM 0 HG3 PRO A 35 86.693 -5.126 23.540 1.00 0.00 H new ATOM 0 HD2 PRO A 35 84.962 -3.011 23.306 1.00 0.00 H new ATOM 0 HD3 PRO A 35 86.703 -2.814 23.289 1.00 0.00 H new ATOM 568 N SER A 36 83.795 -4.198 20.106 1.00 0.00 N ATOM 569 CA SER A 36 82.577 -4.593 19.342 1.00 0.00 C ATOM 570 C SER A 36 81.619 -3.406 19.226 1.00 0.00 C ATOM 571 O SER A 36 80.466 -3.486 19.599 1.00 0.00 O ATOM 572 CB SER A 36 81.943 -5.715 20.164 1.00 0.00 C ATOM 573 OG SER A 36 81.789 -6.868 19.345 1.00 0.00 O ATOM 0 H SER A 36 83.617 -3.736 20.998 1.00 0.00 H new ATOM 0 HA SER A 36 82.811 -4.913 18.326 1.00 0.00 H new ATOM 0 HB2 SER A 36 82.568 -5.948 21.026 1.00 0.00 H new ATOM 0 HB3 SER A 36 80.974 -5.396 20.549 1.00 0.00 H new ATOM 0 HG SER A 36 81.384 -7.590 19.870 1.00 0.00 H new ATOM 579 N SER A 37 82.089 -2.301 18.714 1.00 0.00 N ATOM 580 CA SER A 37 81.206 -1.108 18.579 1.00 0.00 C ATOM 581 C SER A 37 80.845 -0.874 17.108 1.00 0.00 C ATOM 582 O SER A 37 80.989 -1.747 16.276 1.00 0.00 O ATOM 583 CB SER A 37 82.031 0.058 19.119 1.00 0.00 C ATOM 584 OG SER A 37 81.528 0.439 20.392 1.00 0.00 O ATOM 0 H SER A 37 83.046 -2.173 18.384 1.00 0.00 H new ATOM 0 HA SER A 37 80.267 -1.229 19.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 83.079 -0.230 19.201 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.985 0.901 18.430 1.00 0.00 H new ATOM 0 HG SER A 37 81.682 1.397 20.531 1.00 0.00 H new ATOM 590 N PHE A 38 80.376 0.300 16.786 1.00 0.00 N ATOM 591 CA PHE A 38 80.002 0.596 15.373 1.00 0.00 C ATOM 592 C PHE A 38 80.207 2.086 15.079 1.00 0.00 C ATOM 593 O PHE A 38 79.799 2.940 15.840 1.00 0.00 O ATOM 594 CB PHE A 38 78.520 0.234 15.276 1.00 0.00 C ATOM 595 CG PHE A 38 77.712 1.182 16.128 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.670 1.011 17.516 1.00 0.00 C ATOM 597 CD2 PHE A 38 77.005 2.230 15.529 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.919 1.889 18.308 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.254 3.109 16.320 1.00 0.00 C ATOM 600 CZ PHE A 38 76.211 2.938 17.709 1.00 0.00 C ATOM 0 H PHE A 38 80.235 1.069 17.441 1.00 0.00 H new ATOM 0 HA PHE A 38 80.607 0.040 14.657 1.00 0.00 H new ATOM 0 HB2 PHE A 38 78.189 0.288 14.239 1.00 0.00 H new ATOM 0 HB3 PHE A 38 78.363 -0.793 15.607 1.00 0.00 H new ATOM 0 HD1 PHE A 38 78.217 0.202 17.977 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.038 2.361 14.458 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.886 1.757 19.379 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.708 3.919 15.858 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.632 3.615 18.319 1.00 0.00 H new ATOM 610 N ILE A 39 80.825 2.405 13.975 1.00 0.00 N ATOM 611 CA ILE A 39 81.041 3.840 13.631 1.00 0.00 C ATOM 612 C ILE A 39 79.864 4.334 12.788 1.00 0.00 C ATOM 613 O ILE A 39 79.483 3.708 11.820 1.00 0.00 O ATOM 614 CB ILE A 39 82.344 3.860 12.825 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.534 3.861 13.788 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.395 5.116 11.954 1.00 0.00 C ATOM 617 CD1 ILE A 39 84.839 3.872 12.988 1.00 0.00 C ATOM 0 H ILE A 39 81.189 1.736 13.297 1.00 0.00 H new ATOM 0 HA ILE A 39 81.107 4.487 14.506 1.00 0.00 H new ATOM 0 HB ILE A 39 82.387 2.978 12.186 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.487 4.734 14.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.496 2.981 14.430 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.323 5.125 11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.547 5.118 11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.351 6.001 12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.686 3.873 13.674 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.885 2.986 12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.876 4.765 12.365 1.00 0.00 H new ATOM 629 N SER A 40 79.265 5.434 13.154 1.00 0.00 N ATOM 630 CA SER A 40 78.103 5.920 12.367 1.00 0.00 C ATOM 631 C SER A 40 78.046 7.446 12.299 1.00 0.00 C ATOM 632 O SER A 40 78.408 8.143 13.227 1.00 0.00 O ATOM 633 CB SER A 40 76.892 5.400 13.121 1.00 0.00 C ATOM 634 OG SER A 40 76.797 6.062 14.375 1.00 0.00 O ATOM 0 H SER A 40 79.528 6.009 13.954 1.00 0.00 H new ATOM 0 HA SER A 40 78.158 5.575 11.335 1.00 0.00 H new ATOM 0 HB2 SER A 40 75.987 5.570 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 40 76.978 4.324 13.271 1.00 0.00 H new ATOM 0 HG SER A 40 76.015 5.729 14.862 1.00 0.00 H new ATOM 640 N GLY A 41 77.565 7.959 11.203 1.00 0.00 N ATOM 641 CA GLY A 41 77.441 9.436 11.046 1.00 0.00 C ATOM 642 C GLY A 41 78.713 9.998 10.423 1.00 0.00 C ATOM 643 O GLY A 41 79.291 9.411 9.530 1.00 0.00 O ATOM 0 H GLY A 41 77.249 7.414 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 41 76.582 9.673 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.265 9.900 12.016 1.00 0.00 H new ATOM 647 N SER A 42 79.159 11.128 10.893 1.00 0.00 N ATOM 648 CA SER A 42 80.400 11.727 10.334 1.00 0.00 C ATOM 649 C SER A 42 81.625 11.067 10.970 1.00 0.00 C ATOM 650 O SER A 42 82.735 11.538 10.831 1.00 0.00 O ATOM 651 CB SER A 42 80.331 13.206 10.708 1.00 0.00 C ATOM 652 OG SER A 42 79.111 13.755 10.230 1.00 0.00 O ATOM 0 H SER A 42 78.717 11.663 11.641 1.00 0.00 H new ATOM 0 HA SER A 42 80.482 11.587 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 42 80.396 13.323 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 42 81.177 13.742 10.278 1.00 0.00 H new ATOM 0 HG SER A 42 79.063 14.704 10.470 1.00 0.00 H new ATOM 658 N VAL A 43 81.432 9.979 11.670 1.00 0.00 N ATOM 659 CA VAL A 43 82.588 9.297 12.310 1.00 0.00 C ATOM 660 C VAL A 43 83.455 8.619 11.245 1.00 0.00 C ATOM 661 O VAL A 43 84.665 8.734 11.255 1.00 0.00 O ATOM 662 CB VAL A 43 81.965 8.259 13.242 1.00 0.00 C ATOM 663 CG1 VAL A 43 83.063 7.365 13.821 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.237 8.972 14.384 1.00 0.00 C ATOM 0 H VAL A 43 80.526 9.537 11.824 1.00 0.00 H new ATOM 0 HA VAL A 43 83.235 9.990 12.849 1.00 0.00 H new ATOM 0 HB VAL A 43 81.257 7.648 12.682 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.617 6.625 14.486 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.584 6.857 13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.772 7.975 14.381 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.792 8.232 15.050 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.946 9.583 14.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.453 9.609 13.974 1.00 0.00 H new ATOM 674 N ALA A 44 82.852 7.913 10.323 1.00 0.00 N ATOM 675 CA ALA A 44 83.661 7.236 9.267 1.00 0.00 C ATOM 676 C ALA A 44 83.739 8.103 8.008 1.00 0.00 C ATOM 677 O ALA A 44 84.748 8.143 7.338 1.00 0.00 O ATOM 678 CB ALA A 44 82.922 5.932 8.969 1.00 0.00 C ATOM 0 H ALA A 44 81.843 7.777 10.256 1.00 0.00 H new ATOM 0 HA ALA A 44 84.686 7.061 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.459 5.377 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 44 82.865 5.331 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.915 6.157 8.619 1.00 0.00 H new ATOM 684 N LYS A 45 82.683 8.791 7.675 1.00 0.00 N ATOM 685 CA LYS A 45 82.712 9.644 6.452 1.00 0.00 C ATOM 686 C LYS A 45 83.738 10.769 6.614 1.00 0.00 C ATOM 687 O LYS A 45 84.051 11.479 5.678 1.00 0.00 O ATOM 688 CB LYS A 45 81.299 10.215 6.336 1.00 0.00 C ATOM 689 CG LYS A 45 80.492 9.367 5.353 1.00 0.00 C ATOM 690 CD LYS A 45 79.780 10.281 4.354 1.00 0.00 C ATOM 691 CE LYS A 45 78.371 10.597 4.863 1.00 0.00 C ATOM 692 NZ LYS A 45 78.000 11.876 4.195 1.00 0.00 N ATOM 0 H LYS A 45 81.804 8.801 8.193 1.00 0.00 H new ATOM 0 HA LYS A 45 82.999 9.083 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.815 10.220 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.339 11.249 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.151 8.677 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.763 8.762 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.346 11.203 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.726 9.798 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.671 9.801 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.357 10.699 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 77.045 12.159 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.680 12.617 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.016 11.746 3.163 1.00 0.00 H new ATOM 706 N ASN A 46 84.260 10.939 7.796 1.00 0.00 N ATOM 707 CA ASN A 46 85.261 12.020 8.025 1.00 0.00 C ATOM 708 C ASN A 46 86.650 11.583 7.547 1.00 0.00 C ATOM 709 O ASN A 46 87.191 12.122 6.603 1.00 0.00 O ATOM 710 CB ASN A 46 85.269 12.233 9.538 1.00 0.00 C ATOM 711 CG ASN A 46 84.720 13.623 9.863 1.00 0.00 C ATOM 712 OD1 ASN A 46 85.423 14.677 9.550 1.00 0.00 O flip ATOM 713 ND2 ASN A 46 83.642 13.751 10.406 1.00 0.00 N flip ATOM 0 H ASN A 46 84.037 10.375 8.616 1.00 0.00 H new ATOM 0 HA ASN A 46 85.010 12.929 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.664 11.469 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 46 86.283 12.132 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 46 83.093 12.927 10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 46 83.285 14.683 10.618 1.00 0.00 H new ATOM 720 N PHE A 47 87.233 10.622 8.207 1.00 0.00 N ATOM 721 CA PHE A 47 88.594 10.158 7.811 1.00 0.00 C ATOM 722 C PHE A 47 88.531 9.307 6.532 1.00 0.00 C ATOM 723 O PHE A 47 89.475 9.249 5.768 1.00 0.00 O ATOM 724 CB PHE A 47 89.088 9.349 9.023 1.00 0.00 C ATOM 725 CG PHE A 47 88.802 7.877 8.846 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.747 7.049 8.230 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.594 7.343 9.307 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.483 5.685 8.074 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.330 5.979 9.150 1.00 0.00 C ATOM 730 CZ PHE A 47 88.275 5.149 8.535 1.00 0.00 C ATOM 0 H PHE A 47 86.826 10.136 9.006 1.00 0.00 H new ATOM 0 HA PHE A 47 89.270 10.979 7.574 1.00 0.00 H new ATOM 0 HB2 PHE A 47 90.159 9.501 9.154 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.601 9.711 9.929 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.679 7.463 7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.866 7.983 9.783 1.00 0.00 H new ATOM 0 HE1 PHE A 47 90.211 5.045 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.397 5.566 9.503 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.072 4.095 8.416 1.00 0.00 H new ATOM 740 N PHE A 48 87.429 8.651 6.300 1.00 0.00 N ATOM 741 CA PHE A 48 87.298 7.804 5.077 1.00 0.00 C ATOM 742 C PHE A 48 87.929 8.497 3.865 1.00 0.00 C ATOM 743 O PHE A 48 88.850 7.989 3.258 1.00 0.00 O ATOM 744 CB PHE A 48 85.788 7.642 4.872 1.00 0.00 C ATOM 745 CG PHE A 48 85.310 6.382 5.559 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.085 5.792 6.566 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.089 5.804 5.189 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.641 4.628 7.201 1.00 0.00 C ATOM 749 CE2 PHE A 48 83.645 4.638 5.826 1.00 0.00 C ATOM 750 CZ PHE A 48 84.421 4.050 6.831 1.00 0.00 C ATOM 0 H PHE A 48 86.609 8.664 6.906 1.00 0.00 H new ATOM 0 HA PHE A 48 87.807 6.847 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 48 85.262 8.508 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.559 7.596 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 48 87.027 6.237 6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.490 6.257 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.240 4.175 7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 48 82.703 4.193 5.541 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.079 3.150 7.321 1.00 0.00 H new ATOM 760 N THR A 49 87.435 9.649 3.503 1.00 0.00 N ATOM 761 CA THR A 49 88.001 10.364 2.325 1.00 0.00 C ATOM 762 C THR A 49 89.182 11.245 2.743 1.00 0.00 C ATOM 763 O THR A 49 89.934 11.715 1.915 1.00 0.00 O ATOM 764 CB THR A 49 86.853 11.229 1.802 1.00 0.00 C ATOM 765 OG1 THR A 49 87.243 11.842 0.582 1.00 0.00 O ATOM 766 CG2 THR A 49 86.511 12.309 2.832 1.00 0.00 C ATOM 0 H THR A 49 86.665 10.126 3.972 1.00 0.00 H new ATOM 0 HA THR A 49 88.377 9.673 1.570 1.00 0.00 H new ATOM 0 HB THR A 49 85.976 10.604 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 49 86.445 12.123 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 49 85.693 12.924 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 49 86.211 11.837 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 49 87.386 12.936 3.006 1.00 0.00 H new ATOM 774 N LYS A 50 89.339 11.477 4.020 1.00 0.00 N ATOM 775 CA LYS A 50 90.461 12.338 4.507 1.00 0.00 C ATOM 776 C LYS A 50 90.166 13.812 4.196 1.00 0.00 C ATOM 777 O LYS A 50 89.768 14.565 5.061 1.00 0.00 O ATOM 778 CB LYS A 50 91.715 11.853 3.769 1.00 0.00 C ATOM 779 CG LYS A 50 92.958 12.319 4.528 1.00 0.00 C ATOM 780 CD LYS A 50 94.111 11.347 4.267 1.00 0.00 C ATOM 781 CE LYS A 50 93.950 10.111 5.155 1.00 0.00 C ATOM 782 NZ LYS A 50 94.550 10.497 6.462 1.00 0.00 N ATOM 0 H LYS A 50 88.735 11.105 4.753 1.00 0.00 H new ATOM 0 HA LYS A 50 90.594 12.265 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 50 91.708 10.766 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 91.727 12.245 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 50 93.236 13.324 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 92.747 12.371 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 50 94.123 11.054 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 50 95.064 11.834 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 50 92.900 9.839 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 94.459 9.248 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 94.006 10.064 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 95.535 10.165 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 94.529 11.532 6.562 1.00 0.00 H new ATOM 796 N SER A 51 90.345 14.233 2.971 1.00 0.00 N ATOM 797 CA SER A 51 90.060 15.653 2.626 1.00 0.00 C ATOM 798 C SER A 51 89.473 15.723 1.216 1.00 0.00 C ATOM 799 O SER A 51 89.994 16.407 0.359 1.00 0.00 O ATOM 800 CB SER A 51 91.416 16.356 2.678 1.00 0.00 C ATOM 801 OG SER A 51 92.220 15.903 1.597 1.00 0.00 O ATOM 0 H SER A 51 90.675 13.655 2.198 1.00 0.00 H new ATOM 0 HA SER A 51 89.343 16.116 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 51 91.281 17.436 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 51 91.911 16.148 3.627 1.00 0.00 H new ATOM 0 HG SER A 51 91.770 16.102 0.749 1.00 0.00 H new ATOM 807 N LYS A 52 88.404 15.001 0.973 1.00 0.00 N ATOM 808 CA LYS A 52 87.776 14.995 -0.384 1.00 0.00 C ATOM 809 C LYS A 52 88.859 15.093 -1.461 1.00 0.00 C ATOM 810 O LYS A 52 88.874 16.010 -2.256 1.00 0.00 O ATOM 811 CB LYS A 52 86.841 16.210 -0.418 1.00 0.00 C ATOM 812 CG LYS A 52 87.644 17.505 -0.266 1.00 0.00 C ATOM 813 CD LYS A 52 86.862 18.663 -0.889 1.00 0.00 C ATOM 814 CE LYS A 52 85.536 18.843 -0.148 1.00 0.00 C ATOM 815 NZ LYS A 52 85.811 19.885 0.881 1.00 0.00 N ATOM 0 H LYS A 52 87.938 14.412 1.663 1.00 0.00 H new ATOM 0 HA LYS A 52 87.223 14.076 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 52 86.288 16.225 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 52 86.106 16.134 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.835 17.706 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 52 88.614 17.404 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 52 87.448 19.581 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 86.676 18.464 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 84.743 19.158 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 52 85.210 17.910 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 84.948 20.065 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 86.565 19.555 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 86.113 20.764 0.413 1.00 0.00 H new ATOM 829 N LEU A 53 89.769 14.149 -1.468 1.00 0.00 N ATOM 830 CA LEU A 53 90.884 14.152 -2.465 1.00 0.00 C ATOM 831 C LEU A 53 90.455 14.824 -3.773 1.00 0.00 C ATOM 832 O LEU A 53 91.184 15.608 -4.349 1.00 0.00 O ATOM 833 CB LEU A 53 91.194 12.676 -2.710 1.00 0.00 C ATOM 834 CG LEU A 53 92.573 12.342 -2.141 1.00 0.00 C ATOM 835 CD1 LEU A 53 92.442 11.991 -0.658 1.00 0.00 C ATOM 836 CD2 LEU A 53 93.157 11.146 -2.896 1.00 0.00 C ATOM 0 H LEU A 53 89.786 13.365 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 53 91.748 14.708 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 90.434 12.051 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 53 91.168 12.461 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 53 93.232 13.203 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 53 93.425 11.753 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 53 92.023 12.840 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 53 91.784 11.129 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 53 94.141 10.906 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 92.497 10.286 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 53 93.250 11.393 -3.954 1.00 0.00 H new ATOM 848 N SER A 54 89.276 14.524 -4.242 1.00 0.00 N ATOM 849 CA SER A 54 88.797 15.146 -5.509 1.00 0.00 C ATOM 850 C SER A 54 87.369 14.687 -5.808 1.00 0.00 C ATOM 851 O SER A 54 86.922 13.672 -5.313 1.00 0.00 O ATOM 852 CB SER A 54 89.759 14.644 -6.584 1.00 0.00 C ATOM 853 OG SER A 54 90.319 15.757 -7.269 1.00 0.00 O ATOM 0 H SER A 54 88.623 13.875 -3.803 1.00 0.00 H new ATOM 0 HA SER A 54 88.779 16.235 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 54 90.549 14.046 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 54 89.233 13.997 -7.286 1.00 0.00 H new ATOM 0 HG SER A 54 90.938 15.439 -7.959 1.00 0.00 H new ATOM 859 N ILE A 55 86.653 15.431 -6.613 1.00 0.00 N ATOM 860 CA ILE A 55 85.247 15.053 -6.951 1.00 0.00 C ATOM 861 C ILE A 55 84.549 14.439 -5.734 1.00 0.00 C ATOM 862 O ILE A 55 84.277 13.256 -5.699 1.00 0.00 O ATOM 863 CB ILE A 55 85.363 14.036 -8.092 1.00 0.00 C ATOM 864 CG1 ILE A 55 83.972 13.503 -8.439 1.00 0.00 C ATOM 865 CG2 ILE A 55 86.260 12.869 -7.672 1.00 0.00 C ATOM 866 CD1 ILE A 55 83.765 13.574 -9.953 1.00 0.00 C ATOM 0 H ILE A 55 86.984 16.289 -7.053 1.00 0.00 H new ATOM 0 HA ILE A 55 84.650 15.917 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 55 85.801 14.527 -8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 55 83.868 12.474 -8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 55 83.208 14.089 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 55 86.334 12.154 -8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 55 87.254 13.244 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 55 85.832 12.377 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 55 82.774 13.195 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 55 83.851 14.609 -10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 55 84.522 12.969 -10.452 1.00 0.00 H new ATOM 878 N PRO A 56 84.283 15.278 -4.770 1.00 0.00 N ATOM 879 CA PRO A 56 83.611 14.831 -3.527 1.00 0.00 C ATOM 880 C PRO A 56 82.332 14.059 -3.860 1.00 0.00 C ATOM 881 O PRO A 56 81.516 14.496 -4.645 1.00 0.00 O ATOM 882 CB PRO A 56 83.287 16.129 -2.780 1.00 0.00 C ATOM 883 CG PRO A 56 83.623 17.250 -3.721 1.00 0.00 C ATOM 884 CD PRO A 56 84.577 16.707 -4.748 1.00 0.00 C ATOM 0 HA PRO A 56 84.230 14.159 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 56 82.235 16.162 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 83.868 16.205 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 56 82.721 17.632 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 56 84.074 18.082 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 56 84.417 17.164 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 56 85.614 16.899 -4.472 1.00 0.00 H new ATOM 892 N GLU A 57 82.155 12.910 -3.267 1.00 0.00 N ATOM 893 CA GLU A 57 80.934 12.104 -3.547 1.00 0.00 C ATOM 894 C GLU A 57 80.808 10.966 -2.531 1.00 0.00 C ATOM 895 O GLU A 57 80.287 9.912 -2.828 1.00 0.00 O ATOM 896 CB GLU A 57 81.148 11.537 -4.951 1.00 0.00 C ATOM 897 CG GLU A 57 80.102 12.119 -5.904 1.00 0.00 C ATOM 898 CD GLU A 57 80.284 11.504 -7.294 1.00 0.00 C ATOM 899 OE1 GLU A 57 81.334 10.932 -7.533 1.00 0.00 O ATOM 900 OE2 GLU A 57 79.370 11.617 -8.093 1.00 0.00 O ATOM 0 H GLU A 57 82.805 12.494 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 57 80.023 12.699 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 57 82.151 11.779 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.071 10.450 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 57 79.099 11.912 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 80.205 13.203 -5.957 1.00 0.00 H new ATOM 907 N LEU A 58 81.287 11.168 -1.335 1.00 0.00 N ATOM 908 CA LEU A 58 81.199 10.092 -0.304 1.00 0.00 C ATOM 909 C LEU A 58 79.776 9.524 -0.228 1.00 0.00 C ATOM 910 O LEU A 58 79.562 8.437 0.264 1.00 0.00 O ATOM 911 CB LEU A 58 81.570 10.776 1.011 1.00 0.00 C ATOM 912 CG LEU A 58 83.068 10.616 1.265 1.00 0.00 C ATOM 913 CD1 LEU A 58 83.669 11.969 1.645 1.00 0.00 C ATOM 914 CD2 LEU A 58 83.286 9.622 2.409 1.00 0.00 C ATOM 0 H LEU A 58 81.735 12.030 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 58 81.856 9.254 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 58 81.309 11.833 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 58 81.003 10.339 1.833 1.00 0.00 H new ATOM 0 HG LEU A 58 83.552 10.245 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 58 84.738 11.854 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 83.513 12.678 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 58 83.186 12.341 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 58 84.354 9.506 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 58 82.802 9.994 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 58 82.858 8.657 2.139 1.00 0.00 H new ATOM 926 N SER A 59 78.804 10.254 -0.699 1.00 0.00 N ATOM 927 CA SER A 59 77.397 9.756 -0.642 1.00 0.00 C ATOM 928 C SER A 59 77.302 8.303 -1.128 1.00 0.00 C ATOM 929 O SER A 59 76.481 7.541 -0.657 1.00 0.00 O ATOM 930 CB SER A 59 76.615 10.684 -1.568 1.00 0.00 C ATOM 931 OG SER A 59 77.105 12.011 -1.424 1.00 0.00 O ATOM 0 H SER A 59 78.921 11.175 -1.122 1.00 0.00 H new ATOM 0 HA SER A 59 77.007 9.761 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.718 10.356 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 59 75.553 10.648 -1.326 1.00 0.00 H new ATOM 0 HG SER A 59 77.705 12.221 -2.170 1.00 0.00 H new ATOM 937 N TYR A 60 78.120 7.910 -2.069 1.00 0.00 N ATOM 938 CA TYR A 60 78.046 6.504 -2.572 1.00 0.00 C ATOM 939 C TYR A 60 78.994 5.595 -1.779 1.00 0.00 C ATOM 940 O TYR A 60 78.742 4.418 -1.616 1.00 0.00 O ATOM 941 CB TYR A 60 78.441 6.583 -4.053 1.00 0.00 C ATOM 942 CG TYR A 60 79.943 6.533 -4.208 1.00 0.00 C ATOM 943 CD1 TYR A 60 80.615 5.307 -4.130 1.00 0.00 C ATOM 944 CD2 TYR A 60 80.663 7.712 -4.438 1.00 0.00 C ATOM 945 CE1 TYR A 60 82.007 5.261 -4.282 1.00 0.00 C ATOM 946 CE2 TYR A 60 82.053 7.666 -4.587 1.00 0.00 C ATOM 947 CZ TYR A 60 82.725 6.440 -4.509 1.00 0.00 C ATOM 948 OH TYR A 60 84.097 6.395 -4.658 1.00 0.00 O ATOM 0 H TYR A 60 78.831 8.495 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 60 77.051 6.074 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.986 5.757 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 60 78.056 7.505 -4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 60 80.061 4.397 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 60 80.145 8.657 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 60 82.526 4.315 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.608 8.576 -4.762 1.00 0.00 H new ATOM 0 HH TYR A 60 84.439 7.301 -4.810 1.00 0.00 H new ATOM 958 N ILE A 61 80.075 6.127 -1.278 1.00 0.00 N ATOM 959 CA ILE A 61 81.020 5.282 -0.491 1.00 0.00 C ATOM 960 C ILE A 61 80.351 4.840 0.812 1.00 0.00 C ATOM 961 O ILE A 61 80.633 3.785 1.345 1.00 0.00 O ATOM 962 CB ILE A 61 82.216 6.186 -0.194 1.00 0.00 C ATOM 963 CG1 ILE A 61 83.020 6.410 -1.478 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.111 5.523 0.856 1.00 0.00 C ATOM 965 CD1 ILE A 61 83.583 5.077 -1.970 1.00 0.00 C ATOM 0 H ILE A 61 80.345 7.106 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 61 81.318 4.382 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 61 81.859 7.144 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 61 82.384 6.853 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 61 83.832 7.113 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 61 83.964 6.168 1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.541 5.363 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.466 4.564 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 61 84.155 5.239 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.233 4.652 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 61 82.763 4.388 -2.172 1.00 0.00 H new ATOM 977 N TRP A 62 79.464 5.645 1.323 1.00 0.00 N ATOM 978 CA TRP A 62 78.767 5.291 2.589 1.00 0.00 C ATOM 979 C TRP A 62 77.491 4.508 2.276 1.00 0.00 C ATOM 980 O TRP A 62 77.140 3.573 2.968 1.00 0.00 O ATOM 981 CB TRP A 62 78.442 6.638 3.236 1.00 0.00 C ATOM 982 CG TRP A 62 77.458 6.448 4.343 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.115 6.489 4.200 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.714 6.199 5.756 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.527 6.275 5.435 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.473 6.091 6.426 1.00 0.00 C ATOM 987 CE3 TRP A 62 78.892 6.056 6.511 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.402 5.850 7.799 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.825 5.814 7.893 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.582 5.711 8.535 1.00 0.00 C ATOM 0 H TRP A 62 79.190 6.539 0.915 1.00 0.00 H new ATOM 0 HA TRP A 62 79.367 4.661 3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.353 7.094 3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.035 7.321 2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 62 75.587 6.661 3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.520 6.256 5.594 1.00 0.00 H new ATOM 0 HE3 TRP A 62 79.854 6.133 6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.443 5.772 8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.735 5.707 8.464 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.537 5.524 9.598 1.00 0.00 H new ATOM 1001 N GLU A 63 76.799 4.872 1.230 1.00 0.00 N ATOM 1002 CA GLU A 63 75.555 4.135 0.872 1.00 0.00 C ATOM 1003 C GLU A 63 75.886 2.661 0.636 1.00 0.00 C ATOM 1004 O GLU A 63 75.037 1.798 0.738 1.00 0.00 O ATOM 1005 CB GLU A 63 75.061 4.789 -0.419 1.00 0.00 C ATOM 1006 CG GLU A 63 73.661 5.366 -0.194 1.00 0.00 C ATOM 1007 CD GLU A 63 73.700 6.886 -0.363 1.00 0.00 C ATOM 1008 OE1 GLU A 63 74.050 7.333 -1.442 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.380 7.577 0.591 1.00 0.00 O ATOM 0 H GLU A 63 77.041 5.645 0.610 1.00 0.00 H new ATOM 0 HA GLU A 63 74.800 4.178 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 63 75.747 5.579 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.039 4.056 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.958 4.929 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 63 73.307 5.110 0.805 1.00 0.00 H new ATOM 1016 N LEU A 64 77.120 2.369 0.326 1.00 0.00 N ATOM 1017 CA LEU A 64 77.517 0.953 0.088 1.00 0.00 C ATOM 1018 C LEU A 64 78.142 0.367 1.355 1.00 0.00 C ATOM 1019 O LEU A 64 78.061 -0.819 1.607 1.00 0.00 O ATOM 1020 CB LEU A 64 78.546 1.012 -1.043 1.00 0.00 C ATOM 1021 CG LEU A 64 77.947 1.745 -2.244 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.071 2.227 -3.161 1.00 0.00 C ATOM 1023 CD2 LEU A 64 77.032 0.792 -3.018 1.00 0.00 C ATOM 0 H LEU A 64 77.871 3.052 0.227 1.00 0.00 H new ATOM 0 HA LEU A 64 76.668 0.321 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.446 1.525 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 64 78.843 0.004 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 64 77.370 2.602 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 78.644 2.749 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 64 79.724 2.905 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 64 79.648 1.371 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 64 76.604 1.313 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 64 77.610 -0.064 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 64 76.230 0.448 -2.365 1.00 0.00 H new ATOM 1035 N SER A 65 78.766 1.188 2.158 1.00 0.00 N ATOM 1036 CA SER A 65 79.390 0.670 3.408 1.00 0.00 C ATOM 1037 C SER A 65 78.307 0.146 4.353 1.00 0.00 C ATOM 1038 O SER A 65 78.466 -0.874 4.992 1.00 0.00 O ATOM 1039 CB SER A 65 80.104 1.873 4.023 1.00 0.00 C ATOM 1040 OG SER A 65 79.156 2.898 4.290 1.00 0.00 O ATOM 0 H SER A 65 78.870 2.191 2.002 1.00 0.00 H new ATOM 0 HA SER A 65 80.077 -0.155 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.608 1.579 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 80.872 2.241 3.343 1.00 0.00 H new ATOM 0 HG SER A 65 78.422 2.841 3.643 1.00 0.00 H new ATOM 1046 N ASP A 66 77.207 0.839 4.439 1.00 0.00 N ATOM 1047 CA ASP A 66 76.106 0.388 5.338 1.00 0.00 C ATOM 1048 C ASP A 66 75.262 -0.682 4.646 1.00 0.00 C ATOM 1049 O ASP A 66 75.377 -0.905 3.458 1.00 0.00 O ATOM 1050 CB ASP A 66 75.273 1.642 5.606 1.00 0.00 C ATOM 1051 CG ASP A 66 73.934 1.240 6.228 1.00 0.00 C ATOM 1052 OD1 ASP A 66 73.949 0.708 7.326 1.00 0.00 O ATOM 1053 OD2 ASP A 66 72.916 1.474 5.596 1.00 0.00 O ATOM 0 H ASP A 66 77.021 1.700 3.925 1.00 0.00 H new ATOM 0 HA ASP A 66 76.482 -0.055 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.811 2.313 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.106 2.186 4.677 1.00 0.00 H new ATOM 1058 N ALA A 67 74.414 -1.347 5.381 1.00 0.00 N ATOM 1059 CA ALA A 67 73.567 -2.401 4.764 1.00 0.00 C ATOM 1060 C ALA A 67 72.199 -2.460 5.451 1.00 0.00 C ATOM 1061 O ALA A 67 71.575 -3.500 5.517 1.00 0.00 O ATOM 1062 CB ALA A 67 74.334 -3.705 4.981 1.00 0.00 C ATOM 0 H ALA A 67 74.272 -1.205 6.381 1.00 0.00 H new ATOM 0 HA ALA A 67 73.379 -2.209 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.771 -4.534 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.308 -3.639 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 67 74.470 -3.874 6.049 1.00 0.00 H new ATOM 1068 N ASP A 68 71.724 -1.353 5.955 1.00 0.00 N ATOM 1069 CA ASP A 68 70.395 -1.347 6.630 1.00 0.00 C ATOM 1070 C ASP A 68 69.849 0.075 6.617 1.00 0.00 C ATOM 1071 O ASP A 68 68.989 0.435 7.396 1.00 0.00 O ATOM 1072 CB ASP A 68 70.663 -1.803 8.066 1.00 0.00 C ATOM 1073 CG ASP A 68 71.407 -3.140 8.054 1.00 0.00 C ATOM 1074 OD1 ASP A 68 70.767 -4.150 7.808 1.00 0.00 O ATOM 1075 OD2 ASP A 68 72.604 -3.132 8.292 1.00 0.00 O ATOM 0 H ASP A 68 72.200 -0.451 5.928 1.00 0.00 H new ATOM 0 HA ASP A 68 69.668 -1.995 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 68 71.253 -1.052 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.722 -1.905 8.607 1.00 0.00 H new ATOM 1080 N CYS A 69 70.369 0.883 5.738 1.00 0.00 N ATOM 1081 CA CYS A 69 69.934 2.294 5.646 1.00 0.00 C ATOM 1082 C CYS A 69 69.674 2.861 7.042 1.00 0.00 C ATOM 1083 O CYS A 69 68.839 3.722 7.233 1.00 0.00 O ATOM 1084 CB CYS A 69 68.653 2.275 4.812 1.00 0.00 C ATOM 1085 SG CYS A 69 68.417 3.892 4.032 1.00 0.00 S ATOM 0 H CYS A 69 71.091 0.615 5.069 1.00 0.00 H new ATOM 0 HA CYS A 69 70.694 2.928 5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 69 68.713 1.497 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 69 67.798 2.036 5.444 1.00 0.00 H new ATOM 0 HG CYS A 69 67.329 3.876 3.321 1.00 0.00 H new ATOM 1091 N ASP A 70 70.390 2.379 8.016 1.00 0.00 N ATOM 1092 CA ASP A 70 70.199 2.880 9.404 1.00 0.00 C ATOM 1093 C ASP A 70 71.117 4.079 9.658 1.00 0.00 C ATOM 1094 O ASP A 70 70.808 4.955 10.442 1.00 0.00 O ATOM 1095 CB ASP A 70 70.571 1.705 10.311 1.00 0.00 C ATOM 1096 CG ASP A 70 72.042 1.339 10.104 1.00 0.00 C ATOM 1097 OD1 ASP A 70 72.335 0.665 9.130 1.00 0.00 O ATOM 1098 OD2 ASP A 70 72.850 1.735 10.925 1.00 0.00 O ATOM 0 H ASP A 70 71.102 1.657 7.911 1.00 0.00 H new ATOM 0 HA ASP A 70 69.179 3.218 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.395 1.968 11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 70 69.938 0.846 10.088 1.00 0.00 H new ATOM 1103 N GLY A 71 72.239 4.133 8.991 1.00 0.00 N ATOM 1104 CA GLY A 71 73.166 5.286 9.185 1.00 0.00 C ATOM 1105 C GLY A 71 74.287 4.910 10.160 1.00 0.00 C ATOM 1106 O GLY A 71 74.882 5.763 10.787 1.00 0.00 O ATOM 0 H GLY A 71 72.553 3.430 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.593 5.583 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 71 72.614 6.144 9.568 1.00 0.00 H new ATOM 1110 N ALA A 72 74.584 3.646 10.295 1.00 0.00 N ATOM 1111 CA ALA A 72 75.672 3.234 11.229 1.00 0.00 C ATOM 1112 C ALA A 72 76.334 1.944 10.736 1.00 0.00 C ATOM 1113 O ALA A 72 75.774 1.215 9.940 1.00 0.00 O ATOM 1114 CB ALA A 72 74.981 3.006 12.574 1.00 0.00 C ATOM 0 H ALA A 72 74.122 2.882 9.801 1.00 0.00 H new ATOM 0 HA ALA A 72 76.459 3.985 11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 72 75.719 2.699 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.503 3.930 12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.227 2.226 12.468 1.00 0.00 H new ATOM 1120 N LEU A 73 77.525 1.654 11.195 1.00 0.00 N ATOM 1121 CA LEU A 73 78.209 0.411 10.738 1.00 0.00 C ATOM 1122 C LEU A 73 78.948 -0.259 11.899 1.00 0.00 C ATOM 1123 O LEU A 73 79.776 0.342 12.551 1.00 0.00 O ATOM 1124 CB LEU A 73 79.202 0.881 9.675 1.00 0.00 C ATOM 1125 CG LEU A 73 78.443 1.271 8.407 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.583 2.776 8.170 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.026 0.513 7.215 1.00 0.00 C ATOM 0 H LEU A 73 78.049 2.221 11.862 1.00 0.00 H new ATOM 0 HA LEU A 73 77.504 -0.325 10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.773 1.732 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.917 0.089 9.454 1.00 0.00 H new ATOM 0 HG LEU A 73 77.389 1.018 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 73 78.042 3.054 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.171 3.318 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.637 3.030 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.486 0.789 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.080 0.768 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.928 -0.560 7.383 1.00 0.00 H new ATOM 1139 N THR A 74 78.660 -1.506 12.154 1.00 0.00 N ATOM 1140 CA THR A 74 79.352 -2.221 13.264 1.00 0.00 C ATOM 1141 C THR A 74 80.812 -2.479 12.886 1.00 0.00 C ATOM 1142 O THR A 74 81.214 -2.262 11.760 1.00 0.00 O ATOM 1143 CB THR A 74 78.597 -3.544 13.409 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.818 -4.341 12.254 1.00 0.00 O ATOM 1145 CG2 THR A 74 77.101 -3.269 13.558 1.00 0.00 C ATOM 0 H THR A 74 77.975 -2.061 11.641 1.00 0.00 H new ATOM 0 HA THR A 74 79.356 -1.648 14.192 1.00 0.00 H new ATOM 0 HB THR A 74 78.957 -4.071 14.293 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.337 -5.190 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.566 -4.213 13.661 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.930 -2.657 14.443 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.739 -2.741 12.676 1.00 0.00 H new ATOM 1153 N LEU A 75 81.610 -2.950 13.805 1.00 0.00 N ATOM 1154 CA LEU A 75 83.033 -3.226 13.465 1.00 0.00 C ATOM 1155 C LEU A 75 83.090 -4.076 12.195 1.00 0.00 C ATOM 1156 O LEU A 75 83.816 -3.768 11.271 1.00 0.00 O ATOM 1157 CB LEU A 75 83.597 -3.997 14.661 1.00 0.00 C ATOM 1158 CG LEU A 75 84.963 -3.423 15.040 1.00 0.00 C ATOM 1159 CD1 LEU A 75 84.855 -2.685 16.374 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.975 -4.563 15.170 1.00 0.00 C ATOM 0 H LEU A 75 81.341 -3.154 14.768 1.00 0.00 H new ATOM 0 HA LEU A 75 83.605 -2.317 13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.914 -3.927 15.507 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.691 -5.054 14.414 1.00 0.00 H new ATOM 0 HG LEU A 75 85.292 -2.729 14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.829 -2.276 16.644 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.133 -1.873 16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.526 -3.378 17.148 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.949 -4.156 15.440 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.645 -5.256 15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 75 86.053 -5.090 14.219 1.00 0.00 H new ATOM 1172 N PRO A 76 82.303 -5.120 12.193 1.00 0.00 N ATOM 1173 CA PRO A 76 82.245 -6.027 11.020 1.00 0.00 C ATOM 1174 C PRO A 76 81.826 -5.247 9.771 1.00 0.00 C ATOM 1175 O PRO A 76 82.253 -5.541 8.672 1.00 0.00 O ATOM 1176 CB PRO A 76 81.172 -7.051 11.393 1.00 0.00 C ATOM 1177 CG PRO A 76 81.005 -6.942 12.875 1.00 0.00 C ATOM 1178 CD PRO A 76 81.400 -5.544 13.266 1.00 0.00 C ATOM 0 HA PRO A 76 83.206 -6.490 10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.235 -6.841 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 76 81.475 -8.058 11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.973 -7.145 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 76 81.628 -7.675 13.387 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.532 -4.889 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.896 -5.526 14.236 1.00 0.00 H new ATOM 1186 N GLU A 77 80.989 -4.257 9.929 1.00 0.00 N ATOM 1187 CA GLU A 77 80.542 -3.466 8.747 1.00 0.00 C ATOM 1188 C GLU A 77 81.706 -2.637 8.194 1.00 0.00 C ATOM 1189 O GLU A 77 81.776 -2.355 7.014 1.00 0.00 O ATOM 1190 CB GLU A 77 79.433 -2.555 9.275 1.00 0.00 C ATOM 1191 CG GLU A 77 78.124 -3.343 9.358 1.00 0.00 C ATOM 1192 CD GLU A 77 76.943 -2.372 9.417 1.00 0.00 C ATOM 1193 OE1 GLU A 77 76.860 -1.518 8.548 1.00 0.00 O ATOM 1194 OE2 GLU A 77 76.143 -2.498 10.329 1.00 0.00 O ATOM 0 H GLU A 77 80.596 -3.963 10.823 1.00 0.00 H new ATOM 0 HA GLU A 77 80.192 -4.101 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.701 -2.170 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.311 -1.694 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 77 78.026 -3.998 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 77 78.127 -3.981 10.242 1.00 0.00 H new ATOM 1201 N PHE A 78 82.620 -2.249 9.039 1.00 0.00 N ATOM 1202 CA PHE A 78 83.779 -1.443 8.562 1.00 0.00 C ATOM 1203 C PHE A 78 84.727 -2.318 7.735 1.00 0.00 C ATOM 1204 O PHE A 78 85.302 -1.879 6.759 1.00 0.00 O ATOM 1205 CB PHE A 78 84.471 -0.954 9.836 1.00 0.00 C ATOM 1206 CG PHE A 78 85.865 -0.479 9.504 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.081 0.855 9.140 1.00 0.00 C ATOM 1208 CD2 PHE A 78 86.940 -1.373 9.555 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.372 1.295 8.829 1.00 0.00 C ATOM 1210 CE2 PHE A 78 88.231 -0.934 9.243 1.00 0.00 C ATOM 1211 CZ PHE A 78 88.448 0.399 8.881 1.00 0.00 C ATOM 0 H PHE A 78 82.615 -2.455 10.038 1.00 0.00 H new ATOM 0 HA PHE A 78 83.473 -0.616 7.922 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.897 -0.144 10.286 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.515 -1.759 10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 78 85.251 1.545 9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.773 -2.403 9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.539 2.325 8.549 1.00 0.00 H new ATOM 0 HE2 PHE A 78 89.060 -1.625 9.282 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.445 0.738 8.641 1.00 0.00 H new ATOM 1221 N CYS A 79 84.897 -3.552 8.123 1.00 0.00 N ATOM 1222 CA CYS A 79 85.812 -4.454 7.366 1.00 0.00 C ATOM 1223 C CYS A 79 85.536 -4.361 5.861 1.00 0.00 C ATOM 1224 O CYS A 79 86.382 -4.673 5.048 1.00 0.00 O ATOM 1225 CB CYS A 79 85.498 -5.858 7.881 1.00 0.00 C ATOM 1226 SG CYS A 79 86.977 -6.893 7.748 1.00 0.00 S ATOM 0 H CYS A 79 84.442 -3.975 8.932 1.00 0.00 H new ATOM 0 HA CYS A 79 86.859 -4.188 7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 79 85.166 -5.811 8.918 1.00 0.00 H new ATOM 0 HB3 CYS A 79 84.682 -6.295 7.305 1.00 0.00 H new ATOM 0 HG CYS A 79 86.712 -8.087 8.188 1.00 0.00 H new ATOM 1232 N ALA A 80 84.361 -3.938 5.483 1.00 0.00 N ATOM 1233 CA ALA A 80 84.044 -3.835 4.030 1.00 0.00 C ATOM 1234 C ALA A 80 84.182 -2.384 3.559 1.00 0.00 C ATOM 1235 O ALA A 80 84.606 -2.111 2.449 1.00 0.00 O ATOM 1236 CB ALA A 80 82.595 -4.305 3.904 1.00 0.00 C ATOM 0 H ALA A 80 83.609 -3.660 6.114 1.00 0.00 H new ATOM 0 HA ALA A 80 84.720 -4.432 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.287 -4.258 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.513 -5.332 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.950 -3.661 4.502 1.00 0.00 H new ATOM 1242 N ALA A 81 83.829 -1.451 4.395 1.00 0.00 N ATOM 1243 CA ALA A 81 83.941 -0.019 3.999 1.00 0.00 C ATOM 1244 C ALA A 81 85.385 0.312 3.615 1.00 0.00 C ATOM 1245 O ALA A 81 85.643 0.908 2.589 1.00 0.00 O ATOM 1246 CB ALA A 81 83.519 0.769 5.241 1.00 0.00 C ATOM 0 H ALA A 81 83.468 -1.616 5.335 1.00 0.00 H new ATOM 0 HA ALA A 81 83.321 0.221 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.574 1.837 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.496 0.505 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 81 84.185 0.527 6.069 1.00 0.00 H new ATOM 1252 N PHE A 82 86.329 -0.070 4.432 1.00 0.00 N ATOM 1253 CA PHE A 82 87.757 0.229 4.117 1.00 0.00 C ATOM 1254 C PHE A 82 88.234 -0.582 2.906 1.00 0.00 C ATOM 1255 O PHE A 82 89.305 -0.351 2.382 1.00 0.00 O ATOM 1256 CB PHE A 82 88.533 -0.178 5.369 1.00 0.00 C ATOM 1257 CG PHE A 82 89.539 0.896 5.707 1.00 0.00 C ATOM 1258 CD1 PHE A 82 89.163 2.243 5.664 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.847 0.545 6.064 1.00 0.00 C ATOM 1260 CE1 PHE A 82 90.094 3.241 5.978 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.778 1.543 6.377 1.00 0.00 C ATOM 1262 CZ PHE A 82 91.401 2.891 6.334 1.00 0.00 C ATOM 0 H PHE A 82 86.174 -0.576 5.304 1.00 0.00 H new ATOM 0 HA PHE A 82 87.902 1.279 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.847 -0.325 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.041 -1.128 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 82 88.154 2.513 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.137 -0.495 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 82 89.803 4.281 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.787 1.273 6.652 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.119 3.661 6.576 1.00 0.00 H new ATOM 1272 N HIS A 83 87.456 -1.529 2.456 1.00 0.00 N ATOM 1273 CA HIS A 83 87.888 -2.337 1.282 1.00 0.00 C ATOM 1274 C HIS A 83 87.678 -1.532 -0.004 1.00 0.00 C ATOM 1275 O HIS A 83 88.494 -1.560 -0.904 1.00 0.00 O ATOM 1276 CB HIS A 83 87.020 -3.616 1.333 1.00 0.00 C ATOM 1277 CG HIS A 83 85.832 -3.538 0.395 1.00 0.00 C ATOM 1278 ND1 HIS A 83 85.721 -3.196 -0.930 1.00 0.00 N flip ATOM 1279 CD2 HIS A 83 84.549 -3.876 0.800 1.00 0.00 C flip ATOM 1280 CE1 HIS A 83 84.399 -3.321 -1.342 1.00 0.00 C flip ATOM 1281 NE2 HIS A 83 83.734 -3.733 -0.262 1.00 0.00 N flip ATOM 0 H HIS A 83 86.547 -1.776 2.847 1.00 0.00 H new ATOM 0 HA HIS A 83 88.947 -2.595 1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 83 87.632 -4.479 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 83 86.667 -3.773 2.352 1.00 0.00 H new ATOM 0 HD1 HIS A 83 86.494 -2.895 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 83 84.257 -4.196 1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 83 83.997 -3.126 -2.325 1.00 0.00 H new ATOM 1289 N LEU A 84 86.587 -0.822 -0.100 1.00 0.00 N ATOM 1290 CA LEU A 84 86.329 -0.026 -1.335 1.00 0.00 C ATOM 1291 C LEU A 84 87.021 1.341 -1.259 1.00 0.00 C ATOM 1292 O LEU A 84 87.249 1.984 -2.265 1.00 0.00 O ATOM 1293 CB LEU A 84 84.811 0.144 -1.388 1.00 0.00 C ATOM 1294 CG LEU A 84 84.358 1.059 -0.251 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.558 2.231 -0.824 1.00 0.00 C ATOM 1296 CD2 LEU A 84 83.477 0.268 0.718 1.00 0.00 C ATOM 0 H LEU A 84 85.866 -0.758 0.619 1.00 0.00 H new ATOM 0 HA LEU A 84 86.719 -0.521 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.516 0.567 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 84 84.323 -0.827 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 84 85.232 1.440 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 83.235 2.883 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.184 2.795 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.684 1.851 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.153 0.919 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 84 82.604 -0.113 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 84 84.045 -0.567 1.128 1.00 0.00 H new ATOM 1308 N ILE A 85 87.363 1.791 -0.082 1.00 0.00 N ATOM 1309 CA ILE A 85 88.041 3.116 0.036 1.00 0.00 C ATOM 1310 C ILE A 85 89.548 2.954 -0.190 1.00 0.00 C ATOM 1311 O ILE A 85 90.131 3.601 -1.037 1.00 0.00 O ATOM 1312 CB ILE A 85 87.740 3.593 1.461 1.00 0.00 C ATOM 1313 CG1 ILE A 85 86.374 4.285 1.481 1.00 0.00 C ATOM 1314 CG2 ILE A 85 88.810 4.588 1.921 1.00 0.00 C ATOM 1315 CD1 ILE A 85 85.383 3.437 2.278 1.00 0.00 C ATOM 0 H ILE A 85 87.204 1.302 0.799 1.00 0.00 H new ATOM 0 HA ILE A 85 87.690 3.834 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 85 87.737 2.734 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 85 86.463 5.275 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.011 4.426 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 85 88.586 4.920 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 85 89.787 4.105 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 85 88.819 5.448 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 85 84.411 3.930 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.286 2.457 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 85 85.744 3.319 3.300 1.00 0.00 H new ATOM 1327 N VAL A 86 90.182 2.094 0.558 1.00 0.00 N ATOM 1328 CA VAL A 86 91.649 1.892 0.378 1.00 0.00 C ATOM 1329 C VAL A 86 91.936 1.393 -1.041 1.00 0.00 C ATOM 1330 O VAL A 86 93.011 1.584 -1.574 1.00 0.00 O ATOM 1331 CB VAL A 86 92.031 0.828 1.408 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.407 0.256 1.065 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.075 1.461 2.800 1.00 0.00 C ATOM 0 H VAL A 86 89.750 1.523 1.285 1.00 0.00 H new ATOM 0 HA VAL A 86 92.216 2.812 0.516 1.00 0.00 H new ATOM 0 HB VAL A 86 91.292 0.027 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 93.679 -0.502 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.377 -0.194 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.147 1.056 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.347 0.704 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 92.815 2.261 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.095 1.869 3.045 1.00 0.00 H new ATOM 1343 N ALA A 87 90.979 0.752 -1.652 1.00 0.00 N ATOM 1344 CA ALA A 87 91.185 0.233 -3.035 1.00 0.00 C ATOM 1345 C ALA A 87 91.696 1.345 -3.957 1.00 0.00 C ATOM 1346 O ALA A 87 92.276 1.087 -4.992 1.00 0.00 O ATOM 1347 CB ALA A 87 89.800 -0.238 -3.483 1.00 0.00 C ATOM 0 H ALA A 87 90.060 0.564 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 87 91.926 -0.566 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.861 -0.637 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.444 -1.016 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 87 89.106 0.603 -3.465 1.00 0.00 H new ATOM 1353 N ARG A 88 91.479 2.579 -3.594 1.00 0.00 N ATOM 1354 CA ARG A 88 91.947 3.703 -4.456 1.00 0.00 C ATOM 1355 C ARG A 88 93.157 4.398 -3.823 1.00 0.00 C ATOM 1356 O ARG A 88 94.117 4.723 -4.492 1.00 0.00 O ATOM 1357 CB ARG A 88 90.758 4.662 -4.533 1.00 0.00 C ATOM 1358 CG ARG A 88 90.686 5.277 -5.931 1.00 0.00 C ATOM 1359 CD ARG A 88 89.538 6.289 -5.984 1.00 0.00 C ATOM 1360 NE ARG A 88 90.181 7.581 -6.353 1.00 0.00 N ATOM 1361 CZ ARG A 88 89.442 8.611 -6.662 1.00 0.00 C ATOM 1362 NH1 ARG A 88 88.327 8.831 -6.022 1.00 0.00 N ATOM 1363 NH2 ARG A 88 89.819 9.422 -7.614 1.00 0.00 N ATOM 0 H ARG A 88 90.998 2.858 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 88 92.263 3.360 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 88 89.833 4.130 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 88 90.862 5.447 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 88 91.629 5.767 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 88 90.532 4.496 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 88 88.788 5.997 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 88 89.030 6.361 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 88 91.198 7.660 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 88 88.032 8.198 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 88 87.750 9.637 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 88 90.691 9.250 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 88 89.242 10.227 -7.856 1.00 0.00 H new ATOM 1377 N LYS A 89 93.117 4.628 -2.539 1.00 0.00 N ATOM 1378 CA LYS A 89 94.265 5.304 -1.869 1.00 0.00 C ATOM 1379 C LYS A 89 95.570 4.563 -2.173 1.00 0.00 C ATOM 1380 O LYS A 89 96.543 5.151 -2.598 1.00 0.00 O ATOM 1381 CB LYS A 89 93.946 5.241 -0.375 1.00 0.00 C ATOM 1382 CG LYS A 89 93.769 6.661 0.169 1.00 0.00 C ATOM 1383 CD LYS A 89 92.835 7.449 -0.753 1.00 0.00 C ATOM 1384 CE LYS A 89 91.798 8.197 0.089 1.00 0.00 C ATOM 1385 NZ LYS A 89 90.634 8.392 -0.819 1.00 0.00 N ATOM 0 H LYS A 89 92.341 4.378 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 89 94.397 6.329 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 89 93.038 4.661 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 89 94.750 4.733 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 89 93.357 6.627 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 89 94.736 7.159 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 89 93.409 8.155 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 89 92.336 6.773 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 89 91.518 7.623 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 89 92.189 9.152 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 89.880 8.899 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 90.929 8.947 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 90.279 7.466 -1.132 1.00 0.00 H new ATOM 1399 N ASN A 90 95.598 3.277 -1.957 1.00 0.00 N ATOM 1400 CA ASN A 90 96.841 2.501 -2.235 1.00 0.00 C ATOM 1401 C ASN A 90 97.119 2.467 -3.740 1.00 0.00 C ATOM 1402 O ASN A 90 98.218 2.184 -4.171 1.00 0.00 O ATOM 1403 CB ASN A 90 96.556 1.093 -1.710 1.00 0.00 C ATOM 1404 CG ASN A 90 97.844 0.484 -1.155 1.00 0.00 C ATOM 1405 OD1 ASN A 90 98.630 -0.079 -1.890 1.00 0.00 O ATOM 1406 ND2 ASN A 90 98.095 0.572 0.123 1.00 0.00 N ATOM 0 H ASN A 90 94.815 2.729 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 90 97.717 2.943 -1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 90 95.794 1.131 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 90 96.162 0.468 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 90 98.951 0.168 0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 90 97.435 1.045 0.741 1.00 0.00 H new ATOM 1413 N GLY A 91 96.129 2.753 -4.541 1.00 0.00 N ATOM 1414 CA GLY A 91 96.337 2.737 -6.017 1.00 0.00 C ATOM 1415 C GLY A 91 95.801 1.425 -6.592 1.00 0.00 C ATOM 1416 O GLY A 91 96.028 1.102 -7.741 1.00 0.00 O ATOM 0 H GLY A 91 95.186 2.997 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 91 95.827 3.583 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 91 97.397 2.841 -6.247 1.00 0.00 H new ATOM 1420 N TYR A 92 95.093 0.666 -5.802 1.00 0.00 N ATOM 1421 CA TYR A 92 94.544 -0.627 -6.304 1.00 0.00 C ATOM 1422 C TYR A 92 93.436 -0.371 -7.328 1.00 0.00 C ATOM 1423 O TYR A 92 92.801 0.666 -7.311 1.00 0.00 O ATOM 1424 CB TYR A 92 93.981 -1.326 -5.066 1.00 0.00 C ATOM 1425 CG TYR A 92 95.082 -2.093 -4.376 1.00 0.00 C ATOM 1426 CD1 TYR A 92 96.390 -1.592 -4.375 1.00 0.00 C ATOM 1427 CD2 TYR A 92 94.797 -3.307 -3.739 1.00 0.00 C ATOM 1428 CE1 TYR A 92 97.411 -2.305 -3.735 1.00 0.00 C ATOM 1429 CE2 TYR A 92 95.819 -4.019 -3.099 1.00 0.00 C ATOM 1430 CZ TYR A 92 97.127 -3.517 -3.098 1.00 0.00 C ATOM 1431 OH TYR A 92 98.134 -4.219 -2.469 1.00 0.00 O ATOM 0 H TYR A 92 94.870 0.884 -4.831 1.00 0.00 H new ATOM 0 HA TYR A 92 95.302 -1.231 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 92 93.553 -0.592 -4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 92 93.176 -2.003 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 92 96.611 -0.657 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 92 93.789 -3.694 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 92 98.419 -1.918 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 92 95.599 -4.955 -2.606 1.00 0.00 H new ATOM 0 HH TYR A 92 97.766 -5.038 -2.076 1.00 0.00 H new ATOM 1441 N PRO A 93 93.241 -1.332 -8.189 1.00 0.00 N ATOM 1442 CA PRO A 93 92.197 -1.215 -9.238 1.00 0.00 C ATOM 1443 C PRO A 93 90.829 -0.958 -8.600 1.00 0.00 C ATOM 1444 O PRO A 93 90.312 -1.776 -7.864 1.00 0.00 O ATOM 1445 CB PRO A 93 92.222 -2.573 -9.939 1.00 0.00 C ATOM 1446 CG PRO A 93 93.542 -3.185 -9.585 1.00 0.00 C ATOM 1447 CD PRO A 93 93.967 -2.602 -8.264 1.00 0.00 C ATOM 0 HA PRO A 93 92.377 -0.388 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 93 91.396 -3.202 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 93 92.120 -2.459 -11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 93 93.457 -4.269 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 93 94.283 -2.972 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 93 93.707 -3.260 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 93 95.045 -2.449 -8.223 1.00 0.00 H new ATOM 1455 N LEU A 94 90.237 0.171 -8.879 1.00 0.00 N ATOM 1456 CA LEU A 94 88.903 0.480 -8.289 1.00 0.00 C ATOM 1457 C LEU A 94 87.918 -0.654 -8.590 1.00 0.00 C ATOM 1458 O LEU A 94 87.798 -1.089 -9.718 1.00 0.00 O ATOM 1459 CB LEU A 94 88.458 1.774 -8.973 1.00 0.00 C ATOM 1460 CG LEU A 94 88.528 1.599 -10.491 1.00 0.00 C ATOM 1461 CD1 LEU A 94 87.111 1.502 -11.061 1.00 0.00 C ATOM 1462 CD2 LEU A 94 89.243 2.802 -11.113 1.00 0.00 C ATOM 0 H LEU A 94 90.619 0.893 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 94 88.944 0.586 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 94 87.441 2.026 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 94 89.097 2.601 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 94 89.078 0.687 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 94 87.162 1.377 -12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 86.599 0.646 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 94 86.561 2.413 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 94 89.292 2.677 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 94 88.693 3.713 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 94 90.253 2.874 -10.709 1.00 0.00 H new ATOM 1474 N PRO A 95 87.242 -1.096 -7.563 1.00 0.00 N ATOM 1475 CA PRO A 95 86.254 -2.194 -7.718 1.00 0.00 C ATOM 1476 C PRO A 95 85.091 -1.741 -8.606 1.00 0.00 C ATOM 1477 O PRO A 95 85.013 -2.086 -9.768 1.00 0.00 O ATOM 1478 CB PRO A 95 85.775 -2.468 -6.293 1.00 0.00 C ATOM 1479 CG PRO A 95 86.151 -1.257 -5.499 1.00 0.00 C ATOM 1480 CD PRO A 95 87.334 -0.623 -6.180 1.00 0.00 C ATOM 0 HA PRO A 95 86.676 -3.080 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 95 84.698 -2.634 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 95 86.245 -3.364 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 95 85.317 -0.557 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 95 86.400 -1.532 -4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 95 87.290 0.465 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 95 88.272 -0.927 -5.716 1.00 0.00 H new ATOM 1488 N GLU A 96 84.187 -0.970 -8.066 1.00 0.00 N ATOM 1489 CA GLU A 96 83.030 -0.495 -8.878 1.00 0.00 C ATOM 1490 C GLU A 96 82.525 0.847 -8.344 1.00 0.00 C ATOM 1491 O GLU A 96 82.959 1.319 -7.312 1.00 0.00 O ATOM 1492 CB GLU A 96 81.959 -1.575 -8.714 1.00 0.00 C ATOM 1493 CG GLU A 96 82.053 -2.568 -9.874 1.00 0.00 C ATOM 1494 CD GLU A 96 80.944 -3.613 -9.743 1.00 0.00 C ATOM 1495 OE1 GLU A 96 79.787 -3.232 -9.814 1.00 0.00 O ATOM 1496 OE2 GLU A 96 81.270 -4.776 -9.574 1.00 0.00 O ATOM 0 H GLU A 96 84.199 -0.648 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 96 83.296 -0.341 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 96 82.094 -2.094 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 96 80.969 -1.120 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 96 81.962 -2.043 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 96 83.028 -3.055 -9.872 1.00 0.00 H new ATOM 1503 N GLY A 97 81.612 1.470 -9.039 1.00 0.00 N ATOM 1504 CA GLY A 97 81.084 2.781 -8.568 1.00 0.00 C ATOM 1505 C GLY A 97 79.604 2.901 -8.937 1.00 0.00 C ATOM 1506 O GLY A 97 79.045 3.978 -8.952 1.00 0.00 O ATOM 0 H GLY A 97 81.210 1.128 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 97 81.208 2.868 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 97 81.649 3.596 -9.020 1.00 0.00 H new ATOM 1510 N LEU A 98 78.965 1.802 -9.233 1.00 0.00 N ATOM 1511 CA LEU A 98 77.521 1.858 -9.599 1.00 0.00 C ATOM 1512 C LEU A 98 76.733 0.812 -8.807 1.00 0.00 C ATOM 1513 O LEU A 98 77.281 -0.181 -8.372 1.00 0.00 O ATOM 1514 CB LEU A 98 77.477 1.547 -11.096 1.00 0.00 C ATOM 1515 CG LEU A 98 77.925 0.104 -11.337 1.00 0.00 C ATOM 1516 CD1 LEU A 98 77.330 -0.402 -12.652 1.00 0.00 C ATOM 1517 CD2 LEU A 98 79.453 0.052 -11.418 1.00 0.00 C ATOM 0 H LEU A 98 79.379 0.870 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 98 77.076 2.827 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 98 76.467 1.693 -11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 98 78.125 2.235 -11.639 1.00 0.00 H new ATOM 0 HG LEU A 98 77.581 -0.525 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 98 77.649 -1.430 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 98 76.242 -0.364 -12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 98 77.674 0.227 -13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 98 79.773 -0.976 -11.590 1.00 0.00 H new ATOM 0 HD22 LEU A 98 79.795 0.681 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 98 79.879 0.414 -10.482 1.00 0.00 H new ATOM 1529 N PRO A 99 75.465 1.073 -8.651 1.00 0.00 N ATOM 1530 CA PRO A 99 74.582 0.142 -7.906 1.00 0.00 C ATOM 1531 C PRO A 99 74.531 -1.216 -8.610 1.00 0.00 C ATOM 1532 O PRO A 99 75.114 -1.392 -9.661 1.00 0.00 O ATOM 1533 CB PRO A 99 73.212 0.822 -7.932 1.00 0.00 C ATOM 1534 CG PRO A 99 73.295 1.871 -8.998 1.00 0.00 C ATOM 1535 CD PRO A 99 74.744 2.245 -9.151 1.00 0.00 C ATOM 0 HA PRO A 99 74.928 -0.050 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 99 72.423 0.103 -8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 99 72.978 1.266 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 99 72.895 1.494 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 99 72.701 2.743 -8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 99 74.995 2.455 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 99 74.989 3.139 -8.578 1.00 0.00 H new ATOM 1543 N PRO A 100 73.829 -2.134 -8.003 1.00 0.00 N ATOM 1544 CA PRO A 100 73.697 -3.494 -8.578 1.00 0.00 C ATOM 1545 C PRO A 100 73.067 -3.423 -9.972 1.00 0.00 C ATOM 1546 O PRO A 100 71.863 -3.494 -10.126 1.00 0.00 O ATOM 1547 CB PRO A 100 72.775 -4.230 -7.602 1.00 0.00 C ATOM 1548 CG PRO A 100 72.168 -3.170 -6.733 1.00 0.00 C ATOM 1549 CD PRO A 100 73.103 -1.992 -6.742 1.00 0.00 C ATOM 0 HA PRO A 100 74.657 -3.996 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 100 72.004 -4.786 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 100 73.333 -4.952 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 100 71.185 -2.883 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 100 72.027 -3.540 -5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 100 72.559 -1.049 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 100 73.779 -2.011 -5.887 1.00 0.00 H new ATOM 1557 N THR A 101 73.872 -3.280 -10.990 1.00 0.00 N ATOM 1558 CA THR A 101 73.320 -3.203 -12.372 1.00 0.00 C ATOM 1559 C THR A 101 74.447 -3.340 -13.399 1.00 0.00 C ATOM 1560 O THR A 101 74.673 -2.463 -14.209 1.00 0.00 O ATOM 1561 CB THR A 101 72.675 -1.819 -12.464 1.00 0.00 C ATOM 1562 OG1 THR A 101 72.007 -1.692 -13.711 1.00 0.00 O ATOM 1563 CG2 THR A 101 73.754 -0.741 -12.348 1.00 0.00 C ATOM 0 H THR A 101 74.888 -3.213 -10.924 1.00 0.00 H new ATOM 0 HA THR A 101 72.605 -4.000 -12.577 1.00 0.00 H new ATOM 0 HB THR A 101 71.957 -1.698 -11.653 1.00 0.00 H new ATOM 0 HG1 THR A 101 72.659 -1.758 -14.440 1.00 0.00 H new ATOM 0 HG21 THR A 101 73.293 0.244 -12.414 1.00 0.00 H new ATOM 0 HG22 THR A 101 74.265 -0.839 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 101 74.475 -0.859 -13.157 1.00 0.00 H new ATOM 1571 N LEU A 102 75.156 -4.435 -13.373 1.00 0.00 N ATOM 1572 CA LEU A 102 76.267 -4.630 -14.346 1.00 0.00 C ATOM 1573 C LEU A 102 76.794 -6.064 -14.256 1.00 0.00 C ATOM 1574 O LEU A 102 77.980 -6.293 -14.118 1.00 0.00 O ATOM 1575 CB LEU A 102 77.346 -3.635 -13.924 1.00 0.00 C ATOM 1576 CG LEU A 102 78.075 -3.115 -15.164 1.00 0.00 C ATOM 1577 CD1 LEU A 102 78.505 -4.295 -16.036 1.00 0.00 C ATOM 1578 CD2 LEU A 102 77.138 -2.206 -15.963 1.00 0.00 C ATOM 0 H LEU A 102 75.013 -5.204 -12.719 1.00 0.00 H new ATOM 0 HA LEU A 102 75.949 -4.469 -15.376 1.00 0.00 H new ATOM 0 HB2 LEU A 102 76.897 -2.805 -13.379 1.00 0.00 H new ATOM 0 HB3 LEU A 102 78.054 -4.115 -13.248 1.00 0.00 H new ATOM 0 HG LEU A 102 78.955 -2.550 -14.857 1.00 0.00 H new ATOM 0 HD11 LEU A 102 79.024 -3.924 -16.920 1.00 0.00 H new ATOM 0 HD12 LEU A 102 79.172 -4.943 -15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 102 77.625 -4.860 -16.343 1.00 0.00 H new ATOM 0 HD21 LEU A 102 77.657 -1.835 -16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 76.257 -2.771 -16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 102 76.831 -1.364 -15.342 1.00 0.00 H new ATOM 1590 N GLN A 103 75.921 -7.031 -14.331 1.00 0.00 N ATOM 1591 CA GLN A 103 76.368 -8.447 -14.247 1.00 0.00 C ATOM 1592 C GLN A 103 75.601 -9.314 -15.251 1.00 0.00 C ATOM 1593 O GLN A 103 74.965 -10.276 -14.870 1.00 0.00 O ATOM 1594 CB GLN A 103 76.022 -8.868 -12.825 1.00 0.00 C ATOM 1595 CG GLN A 103 74.521 -8.681 -12.608 1.00 0.00 C ATOM 1596 CD GLN A 103 73.954 -9.891 -11.864 1.00 0.00 C ATOM 1597 OE1 GLN A 103 74.484 -10.296 -10.848 1.00 0.00 O ATOM 1598 NE2 GLN A 103 72.892 -10.490 -12.330 1.00 0.00 N ATOM 0 H GLN A 103 74.916 -6.900 -14.447 1.00 0.00 H new ATOM 0 HA GLN A 103 77.428 -8.560 -14.476 1.00 0.00 H new ATOM 0 HB2 GLN A 103 76.300 -9.909 -12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 103 76.584 -8.271 -12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 103 74.337 -7.771 -12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 103 74.017 -8.562 -13.567 1.00 0.00 H new ATOM 0 HE21 GLN A 103 72.447 -10.150 -13.183 1.00 0.00 H new ATOM 0 HE22 GLN A 103 72.507 -11.298 -11.841 1.00 0.00 H new ATOM 1607 N PRO A 104 75.681 -8.949 -16.503 1.00 0.00 N ATOM 1608 CA PRO A 104 74.975 -9.715 -17.562 1.00 0.00 C ATOM 1609 C PRO A 104 75.576 -11.117 -17.690 1.00 0.00 C ATOM 1610 O PRO A 104 74.872 -12.107 -17.676 1.00 0.00 O ATOM 1611 CB PRO A 104 75.220 -8.898 -18.835 1.00 0.00 C ATOM 1612 CG PRO A 104 75.721 -7.570 -18.362 1.00 0.00 C ATOM 1613 CD PRO A 104 76.415 -7.810 -17.055 1.00 0.00 C ATOM 0 HA PRO A 104 73.914 -9.852 -17.354 1.00 0.00 H new ATOM 0 HB2 PRO A 104 75.950 -9.386 -19.481 1.00 0.00 H new ATOM 0 HB3 PRO A 104 74.303 -8.789 -19.415 1.00 0.00 H new ATOM 0 HG2 PRO A 104 76.406 -7.134 -19.089 1.00 0.00 H new ATOM 0 HG3 PRO A 104 74.897 -6.867 -18.239 1.00 0.00 H new ATOM 0 HD2 PRO A 104 77.472 -8.039 -17.194 1.00 0.00 H new ATOM 0 HD3 PRO A 104 76.361 -6.939 -16.402 1.00 0.00 H new ATOM 1621 N GLU A 105 76.872 -11.207 -17.813 1.00 0.00 N ATOM 1622 CA GLU A 105 77.517 -12.544 -17.939 1.00 0.00 C ATOM 1623 C GLU A 105 77.847 -13.102 -16.551 1.00 0.00 C ATOM 1624 O GLU A 105 77.929 -14.298 -16.356 1.00 0.00 O ATOM 1625 CB GLU A 105 78.797 -12.293 -18.735 1.00 0.00 C ATOM 1626 CG GLU A 105 78.443 -12.003 -20.195 1.00 0.00 C ATOM 1627 CD GLU A 105 78.050 -13.306 -20.893 1.00 0.00 C ATOM 1628 OE1 GLU A 105 77.019 -13.855 -20.542 1.00 0.00 O ATOM 1629 OE2 GLU A 105 78.787 -13.732 -21.766 1.00 0.00 O ATOM 0 H GLU A 105 77.512 -10.413 -17.832 1.00 0.00 H new ATOM 0 HA GLU A 105 76.870 -13.272 -18.429 1.00 0.00 H new ATOM 0 HB2 GLU A 105 79.344 -11.452 -18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 105 79.452 -13.162 -18.674 1.00 0.00 H new ATOM 0 HG2 GLU A 105 77.621 -11.288 -20.246 1.00 0.00 H new ATOM 0 HG3 GLU A 105 79.293 -11.548 -20.703 1.00 0.00 H new ATOM 1636 N PHE A 106 78.038 -12.243 -15.588 1.00 0.00 N ATOM 1637 CA PHE A 106 78.363 -12.722 -14.214 1.00 0.00 C ATOM 1638 C PHE A 106 77.079 -13.047 -13.446 1.00 0.00 C ATOM 1639 O PHE A 106 76.916 -12.669 -12.303 1.00 0.00 O ATOM 1640 CB PHE A 106 79.102 -11.559 -13.550 1.00 0.00 C ATOM 1641 CG PHE A 106 80.121 -10.990 -14.509 1.00 0.00 C ATOM 1642 CD1 PHE A 106 80.718 -11.818 -15.467 1.00 0.00 C ATOM 1643 CD2 PHE A 106 80.468 -9.635 -14.440 1.00 0.00 C ATOM 1644 CE1 PHE A 106 81.663 -11.292 -16.355 1.00 0.00 C ATOM 1645 CE2 PHE A 106 81.413 -9.109 -15.329 1.00 0.00 C ATOM 1646 CZ PHE A 106 82.010 -9.937 -16.287 1.00 0.00 C ATOM 0 H PHE A 106 77.983 -11.230 -15.693 1.00 0.00 H new ATOM 0 HA PHE A 106 78.963 -13.632 -14.229 1.00 0.00 H new ATOM 0 HB2 PHE A 106 78.393 -10.785 -13.256 1.00 0.00 H new ATOM 0 HB3 PHE A 106 79.596 -11.901 -12.640 1.00 0.00 H new ATOM 0 HD1 PHE A 106 80.449 -12.863 -15.521 1.00 0.00 H new ATOM 0 HD2 PHE A 106 80.007 -8.996 -13.701 1.00 0.00 H new ATOM 0 HE1 PHE A 106 82.125 -11.931 -17.093 1.00 0.00 H new ATOM 0 HE2 PHE A 106 81.681 -8.064 -15.276 1.00 0.00 H new ATOM 0 HZ PHE A 106 82.738 -9.531 -16.974 1.00 0.00 H new ATOM 1656 N ILE A 107 76.166 -13.743 -14.065 1.00 0.00 N ATOM 1657 CA ILE A 107 74.895 -14.089 -13.368 1.00 0.00 C ATOM 1658 C ILE A 107 75.137 -15.210 -12.354 1.00 0.00 C ATOM 1659 O ILE A 107 74.687 -15.149 -11.226 1.00 0.00 O ATOM 1660 CB ILE A 107 73.952 -14.559 -14.475 1.00 0.00 C ATOM 1661 CG1 ILE A 107 73.523 -13.358 -15.320 1.00 0.00 C ATOM 1662 CG2 ILE A 107 72.715 -15.209 -13.851 1.00 0.00 C ATOM 1663 CD1 ILE A 107 72.947 -13.848 -16.649 1.00 0.00 C ATOM 0 H ILE A 107 76.245 -14.087 -15.022 1.00 0.00 H new ATOM 0 HA ILE A 107 74.483 -13.245 -12.815 1.00 0.00 H new ATOM 0 HB ILE A 107 74.465 -15.285 -15.105 1.00 0.00 H new ATOM 0 HG12 ILE A 107 72.778 -12.770 -14.784 1.00 0.00 H new ATOM 0 HG13 ILE A 107 74.376 -12.704 -15.500 1.00 0.00 H new ATOM 0 HG21 ILE A 107 72.043 -15.544 -14.641 1.00 0.00 H new ATOM 0 HG22 ILE A 107 73.019 -16.063 -13.246 1.00 0.00 H new ATOM 0 HG23 ILE A 107 72.201 -14.483 -13.221 1.00 0.00 H new ATOM 0 HD11 ILE A 107 72.641 -12.992 -17.251 1.00 0.00 H new ATOM 0 HD12 ILE A 107 73.705 -14.417 -17.186 1.00 0.00 H new ATOM 0 HD13 ILE A 107 72.083 -14.485 -16.458 1.00 0.00 H new ATOM 1675 N VAL A 108 75.844 -16.236 -12.746 1.00 0.00 N ATOM 1676 CA VAL A 108 76.112 -17.359 -11.804 1.00 0.00 C ATOM 1677 C VAL A 108 77.265 -16.997 -10.861 1.00 0.00 C ATOM 1678 O VAL A 108 77.987 -16.047 -11.090 1.00 0.00 O ATOM 1679 CB VAL A 108 76.499 -18.539 -12.696 1.00 0.00 C ATOM 1680 CG1 VAL A 108 76.574 -19.812 -11.851 1.00 0.00 C ATOM 1681 CG2 VAL A 108 75.447 -18.717 -13.792 1.00 0.00 C ATOM 0 H VAL A 108 76.247 -16.344 -13.677 1.00 0.00 H new ATOM 0 HA VAL A 108 75.250 -17.587 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 108 77.470 -18.347 -13.152 1.00 0.00 H new ATOM 0 HG11 VAL A 108 76.850 -20.654 -12.486 1.00 0.00 H new ATOM 0 HG12 VAL A 108 77.323 -19.686 -11.069 1.00 0.00 H new ATOM 0 HG13 VAL A 108 75.603 -20.004 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 108 75.723 -19.558 -14.428 1.00 0.00 H new ATOM 0 HG22 VAL A 108 74.476 -18.910 -13.336 1.00 0.00 H new ATOM 0 HG23 VAL A 108 75.392 -17.810 -14.394 1.00 0.00 H new ATOM 1691 N THR A 109 77.436 -17.752 -9.807 1.00 0.00 N ATOM 1692 CA THR A 109 78.539 -17.466 -8.839 1.00 0.00 C ATOM 1693 C THR A 109 78.722 -15.957 -8.659 1.00 0.00 C ATOM 1694 O THR A 109 79.826 -15.450 -8.665 1.00 0.00 O ATOM 1695 CB THR A 109 79.789 -18.094 -9.459 1.00 0.00 C ATOM 1696 OG1 THR A 109 80.862 -18.021 -8.532 1.00 0.00 O ATOM 1697 CG2 THR A 109 80.167 -17.344 -10.739 1.00 0.00 C ATOM 0 H THR A 109 76.857 -18.558 -9.573 1.00 0.00 H new ATOM 0 HA THR A 109 78.329 -17.872 -7.850 1.00 0.00 H new ATOM 0 HB THR A 109 79.586 -19.137 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 109 80.955 -17.100 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 109 81.058 -17.796 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 109 79.344 -17.402 -11.451 1.00 0.00 H new ATOM 0 HG23 THR A 109 80.369 -16.299 -10.502 1.00 0.00 H new ATOM 1705 N ASP A 110 77.647 -15.235 -8.498 1.00 0.00 N ATOM 1706 CA ASP A 110 77.761 -13.760 -8.318 1.00 0.00 C ATOM 1707 C ASP A 110 78.465 -13.439 -6.997 1.00 0.00 C ATOM 1708 O ASP A 110 79.058 -12.376 -6.909 1.00 0.00 O ATOM 1709 CB ASP A 110 76.317 -13.253 -8.296 1.00 0.00 C ATOM 1710 CG ASP A 110 75.506 -14.069 -7.289 1.00 0.00 C ATOM 1711 OD1 ASP A 110 75.962 -14.210 -6.166 1.00 0.00 O ATOM 1712 OD2 ASP A 110 74.442 -14.539 -7.656 1.00 0.00 O ATOM 1713 OXT ASP A 110 78.401 -14.261 -6.098 1.00 0.00 O ATOM 0 H ASP A 110 76.696 -15.602 -8.483 1.00 0.00 H new ATOM 0 HA ASP A 110 78.346 -13.291 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 110 76.295 -12.197 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 110 75.875 -13.338 -9.289 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.292 -1.060 9.212 1.00 0.00 CA