USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.53) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.155 X(o=-0.17,f=-0.19) USER MOD Set 2.2: A 118 ASN : amide:sc= -0.0178 X(o=-0.17,f=-0.4) USER MOD Set 3.1: A 30 MET CE :methyl 177:sc= -1.05 (180deg=-1.06) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 THR OG1 : rot -84:sc= 1.21 USER MOD Set 4.2: A 12 ASN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Single : A 8 THR OG1 : rot 18:sc= 0.432 USER MOD Single : A 18 ASN : amide:sc= 1.15 K(o=1.1,f=-0.029) USER MOD Single : A 20 MET CE :methyl -161:sc= -0.561 (180deg=-1.24) USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0067) USER MOD Single : A 22 SER OG : rot 78:sc= 0.00785 USER MOD Single : A 24 MET CE :methyl -132:sc= -0.474 (180deg=-2.27) USER MOD Single : A 25 GLN : amide:sc= -0.821 K(o=-0.82,f=-4.1!) USER MOD Single : A 28 SER OG : rot -31:sc= 0.339 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.1!) USER MOD Single : A 41 MET CE :methyl -135:sc= -0.275 (180deg=-2.23) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 80:sc= 0.901 USER MOD Single : A 46 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 157:sc= -0.253 (180deg=-0.955) USER MOD Single : A 50 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.8) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= -0.464 (180deg=-1.26) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.2!) USER MOD Single : A 71 MET CE :methyl -139:sc= -1.21 (180deg=-1.35) USER MOD Single : A 75 SER OG : rot 18:sc= -1.07 USER MOD Single : A 76 SER OG : rot -56:sc= 1.27 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.46! (180deg=-1.5) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 170:sc= -2.2! USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= -0.285 (180deg=-0.342) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 95 SER OG : rot 84:sc= 0.158 USER MOD Single : A 96 SER OG : rot 73:sc= 0.577 USER MOD Single : A 101 MET CE :methyl 162:sc= -1.64 (180deg=-2.44) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00367 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.12) USER MOD Single : A 108 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 109 THR OG1 : rot -17:sc= 0.203 USER MOD Single : A 113 ASN : amide:sc= -0.418 K(o=-0.42,f=-4.7!) USER MOD Single : A 121 THR OG1 : rot -102:sc= 1.31 USER MOD Single : A 122 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.2!) USER MOD Single : A 126 MET CE :methyl 158:sc= -0.264 (180deg=-0.956) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.424 -1.842 -7.795 1.00 0.00 N ATOM 82 CA THR A 8 15.109 -1.055 -8.804 1.00 0.00 C ATOM 83 C THR A 8 16.602 -1.364 -8.722 1.00 0.00 C ATOM 84 O THR A 8 17.164 -1.395 -7.632 1.00 0.00 O ATOM 85 CB THR A 8 14.878 0.455 -8.590 1.00 0.00 C ATOM 86 OG1 THR A 8 13.550 0.681 -8.094 1.00 0.00 O ATOM 87 CG2 THR A 8 15.072 1.242 -9.882 1.00 0.00 C ATOM 0 HA THR A 8 14.715 -1.314 -9.787 1.00 0.00 H new ATOM 0 HB THR A 8 15.613 0.802 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.186 -0.157 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.901 2.302 -9.692 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.089 1.098 -10.246 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.365 0.889 -10.633 1.00 0.00 H new ATOM 95 N PRO A 9 17.261 -1.587 -9.863 1.00 0.00 N ATOM 96 CA PRO A 9 18.652 -2.055 -9.897 1.00 0.00 C ATOM 97 C PRO A 9 19.669 -0.967 -9.565 1.00 0.00 C ATOM 98 O PRO A 9 20.837 -1.255 -9.319 1.00 0.00 O ATOM 99 CB PRO A 9 18.823 -2.507 -11.347 1.00 0.00 C ATOM 100 CG PRO A 9 17.887 -1.643 -12.119 1.00 0.00 C ATOM 101 CD PRO A 9 16.710 -1.391 -11.214 1.00 0.00 C ATOM 0 HA PRO A 9 18.830 -2.830 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.852 -2.379 -11.684 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.578 -3.563 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.367 -0.707 -12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.573 -2.134 -13.040 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.314 -0.384 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.893 -2.083 -11.418 1.00 0.00 H new ATOM 109 N TRP A 10 19.223 0.282 -9.551 1.00 0.00 N ATOM 110 CA TRP A 10 20.137 1.405 -9.382 1.00 0.00 C ATOM 111 C TRP A 10 20.061 1.969 -7.962 1.00 0.00 C ATOM 112 O TRP A 10 20.570 3.057 -7.693 1.00 0.00 O ATOM 113 CB TRP A 10 19.820 2.518 -10.389 1.00 0.00 C ATOM 114 CG TRP A 10 19.616 2.062 -11.811 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.665 2.528 -12.673 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.359 1.070 -12.543 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.767 1.899 -13.889 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.795 0.995 -13.833 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.440 0.234 -12.237 1.00 0.00 C ATOM 120 CZ2 TRP A 10 20.274 0.126 -14.810 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.915 -0.625 -13.210 1.00 0.00 C ATOM 122 CH2 TRP A 10 21.332 -0.674 -14.480 1.00 0.00 C ATOM 0 H TRP A 10 18.242 0.543 -9.654 1.00 0.00 H new ATOM 0 HA TRP A 10 21.147 1.035 -9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.921 3.038 -10.059 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.633 3.244 -10.371 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.934 3.286 -12.432 1.00 0.00 H new ATOM 0 HE1 TRP A 10 18.175 2.076 -14.701 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.895 0.260 -11.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.826 0.086 -15.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.752 -1.270 -12.985 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.726 -1.359 -15.216 1.00 0.00 H new ATOM 133 N THR A 11 19.426 1.233 -7.059 1.00 0.00 N ATOM 134 CA THR A 11 19.267 1.682 -5.688 1.00 0.00 C ATOM 135 C THR A 11 20.567 1.537 -4.905 1.00 0.00 C ATOM 136 O THR A 11 21.061 2.494 -4.307 1.00 0.00 O ATOM 137 CB THR A 11 18.158 0.885 -4.987 1.00 0.00 C ATOM 138 OG1 THR A 11 18.292 -0.509 -5.298 1.00 0.00 O ATOM 139 CG2 THR A 11 16.785 1.385 -5.404 1.00 0.00 C ATOM 0 H THR A 11 19.013 0.321 -7.255 1.00 0.00 H new ATOM 0 HA THR A 11 18.993 2.737 -5.717 1.00 0.00 H new ATOM 0 HB THR A 11 18.258 1.025 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.862 -0.695 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.016 0.805 -4.894 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.684 2.437 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.669 1.273 -6.482 1.00 0.00 H new ATOM 147 N ASN A 12 21.113 0.332 -4.909 1.00 0.00 N ATOM 148 CA ASN A 12 22.359 0.063 -4.216 1.00 0.00 C ATOM 149 C ASN A 12 23.500 -0.025 -5.218 1.00 0.00 C ATOM 150 O ASN A 12 23.366 -0.662 -6.263 1.00 0.00 O ATOM 151 CB ASN A 12 22.272 -1.241 -3.413 1.00 0.00 C ATOM 152 CG ASN A 12 21.236 -1.187 -2.306 1.00 0.00 C ATOM 153 OD1 ASN A 12 20.068 -1.520 -2.512 1.00 0.00 O ATOM 154 ND2 ASN A 12 21.660 -0.778 -1.121 1.00 0.00 N ATOM 0 H ASN A 12 20.711 -0.475 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 12 22.546 0.882 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.032 -2.062 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.248 -1.460 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.011 -0.730 -0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.636 -0.511 -0.993 1.00 0.00 H new ATOM 161 N PRO A 13 24.637 0.612 -4.913 1.00 0.00 N ATOM 162 CA PRO A 13 25.798 0.616 -5.805 1.00 0.00 C ATOM 163 C PRO A 13 26.380 -0.781 -5.986 1.00 0.00 C ATOM 164 O PRO A 13 26.828 -1.145 -7.076 1.00 0.00 O ATOM 165 CB PRO A 13 26.799 1.541 -5.107 1.00 0.00 C ATOM 166 CG PRO A 13 26.364 1.600 -3.681 1.00 0.00 C ATOM 167 CD PRO A 13 24.879 1.373 -3.677 1.00 0.00 C ATOM 0 HA PRO A 13 25.540 0.951 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.815 1.154 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.797 2.533 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.874 0.840 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.610 2.566 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.562 0.816 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.330 2.315 -3.673 1.00 0.00 H new ATOM 175 N GLY A 14 26.353 -1.566 -4.915 1.00 0.00 N ATOM 176 CA GLY A 14 26.799 -2.943 -4.992 1.00 0.00 C ATOM 177 C GLY A 14 25.841 -3.792 -5.802 1.00 0.00 C ATOM 178 O GLY A 14 26.247 -4.744 -6.469 1.00 0.00 O ATOM 0 H GLY A 14 26.029 -1.272 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.791 -2.981 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.890 -3.354 -3.987 1.00 0.00 H new ATOM 182 N LEU A 15 24.564 -3.432 -5.753 1.00 0.00 N ATOM 183 CA LEU A 15 23.547 -4.126 -6.528 1.00 0.00 C ATOM 184 C LEU A 15 23.759 -3.867 -8.012 1.00 0.00 C ATOM 185 O LEU A 15 23.734 -4.792 -8.816 1.00 0.00 O ATOM 186 CB LEU A 15 22.144 -3.680 -6.104 1.00 0.00 C ATOM 187 CG LEU A 15 20.987 -4.339 -6.860 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.992 -5.846 -6.660 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.658 -3.748 -6.419 1.00 0.00 C ATOM 0 H LEU A 15 24.210 -2.663 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 15 23.635 -5.196 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.023 -3.884 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.071 -2.600 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 15 21.121 -4.139 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.160 -6.288 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.930 -6.259 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.889 -6.073 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.847 -4.228 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.523 -3.914 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.650 -2.677 -6.624 1.00 0.00 H new ATOM 201 N ALA A 16 23.991 -2.607 -8.362 1.00 0.00 N ATOM 202 CA ALA A 16 24.260 -2.230 -9.746 1.00 0.00 C ATOM 203 C ALA A 16 25.495 -2.951 -10.282 1.00 0.00 C ATOM 204 O ALA A 16 25.507 -3.424 -11.420 1.00 0.00 O ATOM 205 CB ALA A 16 24.437 -0.724 -9.857 1.00 0.00 C ATOM 0 H ALA A 16 23.998 -1.827 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 16 23.405 -2.530 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.637 -0.457 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.527 -0.225 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.274 -0.409 -9.233 1.00 0.00 H new ATOM 211 N GLU A 17 26.528 -3.030 -9.445 1.00 0.00 N ATOM 212 CA GLU A 17 27.756 -3.743 -9.783 1.00 0.00 C ATOM 213 C GLU A 17 27.452 -5.199 -10.141 1.00 0.00 C ATOM 214 O GLU A 17 27.838 -5.688 -11.207 1.00 0.00 O ATOM 215 CB GLU A 17 28.730 -3.675 -8.599 1.00 0.00 C ATOM 216 CG GLU A 17 30.012 -4.473 -8.784 1.00 0.00 C ATOM 217 CD GLU A 17 30.903 -3.930 -9.883 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.752 -4.360 -11.044 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.781 -3.096 -9.583 1.00 0.00 O ATOM 0 H GLU A 17 26.537 -2.604 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 17 28.214 -3.270 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.990 -2.632 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.220 -4.035 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.567 -4.479 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.758 -5.508 -9.010 1.00 0.00 H new ATOM 226 N ASN A 18 26.738 -5.881 -9.257 1.00 0.00 N ATOM 227 CA ASN A 18 26.393 -7.278 -9.465 1.00 0.00 C ATOM 228 C ASN A 18 25.404 -7.441 -10.613 1.00 0.00 C ATOM 229 O ASN A 18 25.486 -8.400 -11.377 1.00 0.00 O ATOM 230 CB ASN A 18 25.815 -7.878 -8.184 1.00 0.00 C ATOM 231 CG ASN A 18 26.879 -8.240 -7.165 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.411 -9.349 -7.178 1.00 0.00 O ATOM 233 ND2 ASN A 18 27.189 -7.317 -6.267 1.00 0.00 N ATOM 0 H ASN A 18 26.385 -5.486 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 18 27.306 -7.811 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.120 -7.167 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.241 -8.770 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.891 -7.515 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.726 -6.408 -6.289 1.00 0.00 H new ATOM 240 N PHE A 19 24.479 -6.494 -10.735 1.00 0.00 N ATOM 241 CA PHE A 19 23.460 -6.540 -11.777 1.00 0.00 C ATOM 242 C PHE A 19 24.099 -6.551 -13.159 1.00 0.00 C ATOM 243 O PHE A 19 23.776 -7.397 -13.987 1.00 0.00 O ATOM 244 CB PHE A 19 22.504 -5.349 -11.647 1.00 0.00 C ATOM 245 CG PHE A 19 21.375 -5.361 -12.644 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.277 -6.184 -12.456 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.413 -4.550 -13.769 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.240 -6.199 -13.368 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.377 -4.561 -14.686 1.00 0.00 C ATOM 250 CZ PHE A 19 19.290 -5.388 -14.484 1.00 0.00 C ATOM 0 H PHE A 19 24.415 -5.682 -10.122 1.00 0.00 H new ATOM 0 HA PHE A 19 22.891 -7.461 -11.653 1.00 0.00 H new ATOM 0 HB2 PHE A 19 22.086 -5.339 -10.640 1.00 0.00 H new ATOM 0 HB3 PHE A 19 23.071 -4.426 -11.766 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.231 -6.822 -11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.262 -3.902 -13.931 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.390 -6.845 -13.208 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.418 -3.924 -15.557 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.480 -5.400 -15.198 1.00 0.00 H new ATOM 260 N MET A 20 25.019 -5.622 -13.397 1.00 0.00 N ATOM 261 CA MET A 20 25.692 -5.527 -14.689 1.00 0.00 C ATOM 262 C MET A 20 26.528 -6.773 -14.967 1.00 0.00 C ATOM 263 O MET A 20 26.691 -7.180 -16.118 1.00 0.00 O ATOM 264 CB MET A 20 26.582 -4.285 -14.752 1.00 0.00 C ATOM 265 CG MET A 20 25.816 -2.971 -14.801 1.00 0.00 C ATOM 266 SD MET A 20 24.773 -2.826 -16.266 1.00 0.00 S ATOM 267 CE MET A 20 24.316 -1.093 -16.200 1.00 0.00 C ATOM 0 H MET A 20 25.316 -4.925 -12.714 1.00 0.00 H new ATOM 0 HA MET A 20 24.919 -5.447 -15.453 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.239 -4.278 -13.882 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.221 -4.354 -15.633 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.196 -2.883 -13.909 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.523 -2.142 -14.780 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.431 -0.926 -16.814 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.100 -0.813 -15.169 1.00 0.00 H new ATOM 0 HE3 MET A 20 25.139 -0.485 -16.576 1.00 0.00 H new ATOM 277 N ASN A 21 27.050 -7.381 -13.909 1.00 0.00 N ATOM 278 CA ASN A 21 27.838 -8.591 -14.044 1.00 0.00 C ATOM 279 C ASN A 21 26.965 -9.750 -14.492 1.00 0.00 C ATOM 280 O ASN A 21 27.253 -10.395 -15.499 1.00 0.00 O ATOM 281 CB ASN A 21 28.534 -8.919 -12.725 1.00 0.00 C ATOM 282 CG ASN A 21 29.927 -8.325 -12.654 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.906 -8.957 -13.055 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.028 -7.110 -12.145 1.00 0.00 N ATOM 0 H ASN A 21 26.940 -7.053 -12.950 1.00 0.00 H new ATOM 0 HA ASN A 21 28.600 -8.426 -14.805 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.936 -8.541 -11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.595 -10.001 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.941 -6.662 -12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.193 -6.620 -11.824 1.00 0.00 H new ATOM 291 N SER A 22 25.886 -9.999 -13.759 1.00 0.00 N ATOM 292 CA SER A 22 24.948 -11.043 -14.109 1.00 0.00 C ATOM 293 C SER A 22 24.284 -10.743 -15.452 1.00 0.00 C ATOM 294 O SER A 22 23.895 -11.655 -16.187 1.00 0.00 O ATOM 295 CB SER A 22 23.909 -11.160 -13.006 1.00 0.00 C ATOM 296 OG SER A 22 24.522 -11.489 -11.772 1.00 0.00 O ATOM 0 H SER A 22 25.643 -9.484 -12.913 1.00 0.00 H new ATOM 0 HA SER A 22 25.477 -11.991 -14.209 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.367 -10.219 -12.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.177 -11.924 -13.269 1.00 0.00 H new ATOM 0 HG SER A 22 24.933 -10.687 -11.387 1.00 0.00 H new ATOM 302 N PHE A 23 24.161 -9.454 -15.759 1.00 0.00 N ATOM 303 CA PHE A 23 23.665 -9.008 -17.051 1.00 0.00 C ATOM 304 C PHE A 23 24.545 -9.550 -18.171 1.00 0.00 C ATOM 305 O PHE A 23 24.051 -10.175 -19.107 1.00 0.00 O ATOM 306 CB PHE A 23 23.618 -7.476 -17.095 1.00 0.00 C ATOM 307 CG PHE A 23 23.256 -6.906 -18.436 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.976 -7.048 -18.945 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.200 -6.224 -19.187 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.646 -6.522 -20.180 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.874 -5.696 -20.421 1.00 0.00 C ATOM 312 CZ PHE A 23 22.596 -5.845 -20.917 1.00 0.00 C ATOM 0 H PHE A 23 24.402 -8.696 -15.121 1.00 0.00 H new ATOM 0 HA PHE A 23 22.655 -9.391 -17.193 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.896 -7.125 -16.358 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.592 -7.086 -16.799 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.228 -7.575 -18.371 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.202 -6.104 -18.803 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.645 -6.641 -20.568 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.619 -5.167 -20.997 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.339 -5.432 -21.881 1.00 0.00 H new ATOM 322 N MET A 24 25.852 -9.343 -18.047 1.00 0.00 N ATOM 323 CA MET A 24 26.798 -9.792 -19.062 1.00 0.00 C ATOM 324 C MET A 24 26.944 -11.304 -19.069 1.00 0.00 C ATOM 325 O MET A 24 27.155 -11.901 -20.122 1.00 0.00 O ATOM 326 CB MET A 24 28.160 -9.125 -18.873 1.00 0.00 C ATOM 327 CG MET A 24 28.204 -7.738 -19.477 1.00 0.00 C ATOM 328 SD MET A 24 27.772 -7.768 -21.227 1.00 0.00 S ATOM 329 CE MET A 24 27.453 -6.038 -21.529 1.00 0.00 C ATOM 0 H MET A 24 26.280 -8.867 -17.253 1.00 0.00 H new ATOM 0 HA MET A 24 26.396 -9.494 -20.030 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.389 -9.064 -17.809 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.932 -9.743 -19.330 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.515 -7.085 -18.942 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.202 -7.318 -19.354 1.00 0.00 H new ATOM 0 HE1 MET A 24 26.510 -5.930 -22.065 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.393 -5.508 -20.579 1.00 0.00 H new ATOM 0 HE3 MET A 24 28.261 -5.618 -22.128 1.00 0.00 H new ATOM 339 N GLN A 25 26.815 -11.922 -17.900 1.00 0.00 N ATOM 340 CA GLN A 25 26.863 -13.378 -17.804 1.00 0.00 C ATOM 341 C GLN A 25 25.777 -14.003 -18.674 1.00 0.00 C ATOM 342 O GLN A 25 25.958 -15.082 -19.239 1.00 0.00 O ATOM 343 CB GLN A 25 26.707 -13.836 -16.352 1.00 0.00 C ATOM 344 CG GLN A 25 27.849 -13.398 -15.447 1.00 0.00 C ATOM 345 CD GLN A 25 27.687 -13.881 -14.017 1.00 0.00 C ATOM 346 OE1 GLN A 25 27.087 -13.205 -13.179 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.230 -15.052 -13.727 1.00 0.00 N ATOM 0 H GLN A 25 26.677 -11.442 -17.011 1.00 0.00 H new ATOM 0 HA GLN A 25 27.837 -13.710 -18.164 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.770 -13.445 -15.955 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.633 -14.923 -16.329 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.789 -13.775 -15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.914 -12.310 -15.453 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.718 -15.581 -14.450 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.160 -15.426 -12.781 1.00 0.00 H new ATOM 356 N GLY A 26 24.651 -13.310 -18.783 1.00 0.00 N ATOM 357 CA GLY A 26 23.584 -13.763 -19.650 1.00 0.00 C ATOM 358 C GLY A 26 23.712 -13.205 -21.056 1.00 0.00 C ATOM 359 O GLY A 26 23.497 -13.917 -22.034 1.00 0.00 O ATOM 0 H GLY A 26 24.459 -12.441 -18.285 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.589 -14.852 -19.691 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.624 -13.465 -19.228 1.00 0.00 H new ATOM 363 N LEU A 27 24.080 -11.931 -21.152 1.00 0.00 N ATOM 364 CA LEU A 27 24.188 -11.237 -22.434 1.00 0.00 C ATOM 365 C LEU A 27 25.217 -11.919 -23.337 1.00 0.00 C ATOM 366 O LEU A 27 25.036 -11.995 -24.550 1.00 0.00 O ATOM 367 CB LEU A 27 24.573 -9.770 -22.194 1.00 0.00 C ATOM 368 CG LEU A 27 23.963 -8.731 -23.153 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.457 -8.914 -24.574 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.443 -8.789 -23.126 1.00 0.00 C ATOM 0 H LEU A 27 24.312 -11.350 -20.346 1.00 0.00 H new ATOM 0 HA LEU A 27 23.222 -11.276 -22.938 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.286 -9.504 -21.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.659 -9.689 -22.250 1.00 0.00 H new ATOM 0 HG LEU A 27 24.289 -7.751 -22.804 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.002 -8.161 -25.217 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.541 -8.806 -24.599 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.183 -9.908 -24.929 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.038 -8.045 -23.812 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.111 -9.782 -23.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.089 -8.582 -22.116 1.00 0.00 H new ATOM 382 N SER A 28 26.277 -12.446 -22.733 1.00 0.00 N ATOM 383 CA SER A 28 27.336 -13.108 -23.484 1.00 0.00 C ATOM 384 C SER A 28 26.850 -14.434 -24.072 1.00 0.00 C ATOM 385 O SER A 28 27.556 -15.070 -24.853 1.00 0.00 O ATOM 386 CB SER A 28 28.559 -13.339 -22.585 1.00 0.00 C ATOM 387 OG SER A 28 29.638 -13.903 -23.313 1.00 0.00 O ATOM 0 H SER A 28 26.425 -12.427 -21.724 1.00 0.00 H new ATOM 0 HA SER A 28 27.622 -12.458 -24.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.871 -12.393 -22.143 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.288 -14.001 -21.762 1.00 0.00 H new ATOM 0 HG SER A 28 29.287 -14.472 -24.030 1.00 0.00 H new ATOM 393 N SER A 29 25.651 -14.853 -23.686 1.00 0.00 N ATOM 394 CA SER A 29 25.060 -16.069 -24.208 1.00 0.00 C ATOM 395 C SER A 29 23.754 -15.765 -24.942 1.00 0.00 C ATOM 396 O SER A 29 22.974 -16.669 -25.254 1.00 0.00 O ATOM 397 CB SER A 29 24.817 -17.046 -23.064 1.00 0.00 C ATOM 398 OG SER A 29 26.039 -17.391 -22.429 1.00 0.00 O ATOM 0 H SER A 29 25.069 -14.361 -23.008 1.00 0.00 H new ATOM 0 HA SER A 29 25.748 -16.519 -24.924 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.137 -16.601 -22.338 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.333 -17.945 -23.444 1.00 0.00 H new ATOM 0 HG SER A 29 25.862 -18.017 -21.697 1.00 0.00 H new ATOM 404 N MET A 30 23.520 -14.488 -25.215 1.00 0.00 N ATOM 405 CA MET A 30 22.326 -14.073 -25.935 1.00 0.00 C ATOM 406 C MET A 30 22.611 -13.957 -27.426 1.00 0.00 C ATOM 407 O MET A 30 23.660 -13.456 -27.833 1.00 0.00 O ATOM 408 CB MET A 30 21.812 -12.734 -25.410 1.00 0.00 C ATOM 409 CG MET A 30 21.353 -12.760 -23.961 1.00 0.00 C ATOM 410 SD MET A 30 19.998 -13.911 -23.664 1.00 0.00 S ATOM 411 CE MET A 30 19.666 -13.582 -21.933 1.00 0.00 C ATOM 0 H MET A 30 24.141 -13.724 -24.949 1.00 0.00 H new ATOM 0 HA MET A 30 21.561 -14.833 -25.775 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.601 -11.990 -25.515 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.981 -12.407 -26.035 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.196 -13.030 -23.325 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.040 -11.758 -23.668 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.814 -14.178 -21.606 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.541 -13.844 -21.339 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.441 -12.524 -21.800 1.00 0.00 H new ATOM 421 N PRO A 31 21.671 -14.427 -28.256 1.00 0.00 N ATOM 422 CA PRO A 31 21.807 -14.392 -29.713 1.00 0.00 C ATOM 423 C PRO A 31 21.719 -12.977 -30.288 1.00 0.00 C ATOM 424 O PRO A 31 20.912 -12.155 -29.839 1.00 0.00 O ATOM 425 CB PRO A 31 20.625 -15.237 -30.197 1.00 0.00 C ATOM 426 CG PRO A 31 19.617 -15.141 -29.105 1.00 0.00 C ATOM 427 CD PRO A 31 20.401 -15.042 -27.829 1.00 0.00 C ATOM 0 HA PRO A 31 22.781 -14.761 -30.034 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.226 -14.858 -31.138 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.923 -16.271 -30.371 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.978 -14.268 -29.239 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.966 -16.015 -29.097 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.887 -14.430 -27.088 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.560 -16.021 -27.378 1.00 0.00 H new ATOM 435 N GLY A 32 22.567 -12.697 -31.270 1.00 0.00 N ATOM 436 CA GLY A 32 22.496 -11.437 -31.983 1.00 0.00 C ATOM 437 C GLY A 32 23.717 -10.571 -31.762 1.00 0.00 C ATOM 438 O GLY A 32 24.210 -9.926 -32.690 1.00 0.00 O ATOM 0 H GLY A 32 23.306 -13.324 -31.586 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.383 -11.634 -33.049 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.607 -10.893 -31.663 1.00 0.00 H new ATOM 442 N PHE A 33 24.207 -10.554 -30.533 1.00 0.00 N ATOM 443 CA PHE A 33 25.366 -9.744 -30.191 1.00 0.00 C ATOM 444 C PHE A 33 26.660 -10.523 -30.416 1.00 0.00 C ATOM 445 O PHE A 33 26.641 -11.653 -30.906 1.00 0.00 O ATOM 446 CB PHE A 33 25.283 -9.267 -28.742 1.00 0.00 C ATOM 447 CG PHE A 33 24.111 -8.362 -28.463 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.139 -7.023 -28.832 1.00 0.00 C ATOM 449 CD2 PHE A 33 22.986 -8.848 -27.815 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.072 -6.192 -28.562 1.00 0.00 C ATOM 451 CE2 PHE A 33 21.915 -8.019 -27.544 1.00 0.00 C ATOM 452 CZ PHE A 33 21.959 -6.689 -27.917 1.00 0.00 C ATOM 0 H PHE A 33 23.821 -11.091 -29.756 1.00 0.00 H new ATOM 0 HA PHE A 33 25.370 -8.872 -30.845 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.222 -10.136 -28.087 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.204 -8.741 -28.490 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.008 -6.628 -29.337 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.947 -9.886 -27.519 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.108 -5.153 -28.855 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.043 -8.410 -27.041 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.123 -6.040 -27.704 1.00 0.00 H new ATOM 462 N THR A 34 27.780 -9.911 -30.058 1.00 0.00 N ATOM 463 CA THR A 34 29.089 -10.513 -30.255 1.00 0.00 C ATOM 464 C THR A 34 30.095 -9.904 -29.279 1.00 0.00 C ATOM 465 O THR A 34 29.801 -8.891 -28.644 1.00 0.00 O ATOM 466 CB THR A 34 29.576 -10.321 -31.711 1.00 0.00 C ATOM 467 OG1 THR A 34 30.920 -10.792 -31.868 1.00 0.00 O ATOM 468 CG2 THR A 34 29.496 -8.860 -32.122 1.00 0.00 C ATOM 0 H THR A 34 27.806 -8.988 -29.625 1.00 0.00 H new ATOM 0 HA THR A 34 29.006 -11.583 -30.064 1.00 0.00 H new ATOM 0 HB THR A 34 28.920 -10.906 -32.356 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.206 -10.662 -32.796 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.844 -8.751 -33.149 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.464 -8.518 -32.050 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.123 -8.261 -31.461 1.00 0.00 H new ATOM 476 N ALA A 35 31.271 -10.516 -29.174 1.00 0.00 N ATOM 477 CA ALA A 35 32.300 -10.092 -28.226 1.00 0.00 C ATOM 478 C ALA A 35 32.671 -8.619 -28.399 1.00 0.00 C ATOM 479 O ALA A 35 32.895 -7.913 -27.418 1.00 0.00 O ATOM 480 CB ALA A 35 33.537 -10.967 -28.367 1.00 0.00 C ATOM 0 H ALA A 35 31.539 -11.319 -29.743 1.00 0.00 H new ATOM 0 HA ALA A 35 31.887 -10.208 -27.224 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.296 -10.641 -27.656 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.273 -12.005 -28.166 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.929 -10.882 -29.380 1.00 0.00 H new ATOM 486 N SER A 36 32.719 -8.156 -29.642 1.00 0.00 N ATOM 487 CA SER A 36 33.063 -6.764 -29.915 1.00 0.00 C ATOM 488 C SER A 36 31.981 -5.836 -29.366 1.00 0.00 C ATOM 489 O SER A 36 32.272 -4.766 -28.830 1.00 0.00 O ATOM 490 CB SER A 36 33.248 -6.543 -31.421 1.00 0.00 C ATOM 491 OG SER A 36 33.698 -5.223 -31.699 1.00 0.00 O ATOM 0 H SER A 36 32.526 -8.718 -30.471 1.00 0.00 H new ATOM 0 HA SER A 36 34.005 -6.533 -29.417 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.967 -7.264 -31.811 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.304 -6.724 -31.936 1.00 0.00 H new ATOM 0 HG SER A 36 33.808 -5.112 -32.666 1.00 0.00 H new ATOM 497 N GLN A 37 30.734 -6.269 -29.481 1.00 0.00 N ATOM 498 CA GLN A 37 29.608 -5.499 -28.980 1.00 0.00 C ATOM 499 C GLN A 37 29.534 -5.574 -27.457 1.00 0.00 C ATOM 500 O GLN A 37 29.165 -4.604 -26.796 1.00 0.00 O ATOM 501 CB GLN A 37 28.309 -5.998 -29.608 1.00 0.00 C ATOM 502 CG GLN A 37 28.193 -5.649 -31.085 1.00 0.00 C ATOM 503 CD GLN A 37 26.986 -6.274 -31.752 1.00 0.00 C ATOM 504 OE1 GLN A 37 25.962 -6.517 -31.122 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.100 -6.536 -33.042 1.00 0.00 N ATOM 0 H GLN A 37 30.477 -7.154 -29.919 1.00 0.00 H new ATOM 0 HA GLN A 37 29.751 -4.455 -29.258 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.246 -7.080 -29.489 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.463 -5.569 -29.071 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.139 -4.566 -31.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 29.096 -5.976 -31.601 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.968 -6.319 -33.532 1.00 0.00 H new ATOM 0 HE22 GLN A 37 26.320 -6.955 -33.548 1.00 0.00 H new ATOM 514 N LEU A 38 29.900 -6.728 -26.908 1.00 0.00 N ATOM 515 CA LEU A 38 29.922 -6.922 -25.463 1.00 0.00 C ATOM 516 C LEU A 38 30.968 -6.025 -24.816 1.00 0.00 C ATOM 517 O LEU A 38 30.739 -5.459 -23.751 1.00 0.00 O ATOM 518 CB LEU A 38 30.219 -8.385 -25.120 1.00 0.00 C ATOM 519 CG LEU A 38 29.214 -9.401 -25.665 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.651 -10.819 -25.329 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.823 -9.125 -25.115 1.00 0.00 C ATOM 0 H LEU A 38 30.187 -7.546 -27.445 1.00 0.00 H new ATOM 0 HA LEU A 38 28.939 -6.658 -25.075 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.208 -8.637 -25.502 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.261 -8.486 -24.035 1.00 0.00 H new ATOM 0 HG LEU A 38 29.180 -9.301 -26.750 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.923 -11.527 -25.725 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.627 -11.014 -25.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.716 -10.933 -24.247 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.122 -9.858 -25.514 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.841 -9.195 -24.027 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.508 -8.124 -25.409 1.00 0.00 H new ATOM 533 N ASP A 39 32.113 -5.898 -25.480 1.00 0.00 N ATOM 534 CA ASP A 39 33.209 -5.067 -24.990 1.00 0.00 C ATOM 535 C ASP A 39 32.749 -3.627 -24.792 1.00 0.00 C ATOM 536 O ASP A 39 32.957 -3.032 -23.731 1.00 0.00 O ATOM 537 CB ASP A 39 34.369 -5.109 -25.982 1.00 0.00 C ATOM 538 CG ASP A 39 35.588 -4.351 -25.498 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.619 -3.112 -25.630 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.532 -5.000 -25.000 1.00 0.00 O ATOM 0 H ASP A 39 32.307 -6.364 -26.366 1.00 0.00 H new ATOM 0 HA ASP A 39 33.538 -5.458 -24.027 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.644 -6.147 -26.168 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.042 -4.690 -26.934 1.00 0.00 H new ATOM 545 N ASP A 40 32.103 -3.086 -25.817 1.00 0.00 N ATOM 546 CA ASP A 40 31.604 -1.717 -25.785 1.00 0.00 C ATOM 547 C ASP A 40 30.510 -1.587 -24.731 1.00 0.00 C ATOM 548 O ASP A 40 30.550 -0.703 -23.872 1.00 0.00 O ATOM 549 CB ASP A 40 31.040 -1.337 -27.158 1.00 0.00 C ATOM 550 CG ASP A 40 31.028 0.159 -27.399 1.00 0.00 C ATOM 551 OD1 ASP A 40 30.219 0.870 -26.771 1.00 0.00 O ATOM 552 OD2 ASP A 40 31.836 0.629 -28.227 1.00 0.00 O ATOM 0 H ASP A 40 31.911 -3.580 -26.689 1.00 0.00 H new ATOM 0 HA ASP A 40 32.426 -1.047 -25.534 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.633 -1.820 -27.935 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.024 -1.722 -27.247 1.00 0.00 H new ATOM 557 N MET A 41 29.557 -2.511 -24.788 1.00 0.00 N ATOM 558 CA MET A 41 28.387 -2.491 -23.924 1.00 0.00 C ATOM 559 C MET A 41 28.780 -2.606 -22.451 1.00 0.00 C ATOM 560 O MET A 41 28.258 -1.884 -21.603 1.00 0.00 O ATOM 561 CB MET A 41 27.451 -3.637 -24.318 1.00 0.00 C ATOM 562 CG MET A 41 26.065 -3.535 -23.708 1.00 0.00 C ATOM 563 SD MET A 41 24.948 -4.833 -24.278 1.00 0.00 S ATOM 564 CE MET A 41 24.883 -4.484 -26.036 1.00 0.00 C ATOM 0 H MET A 41 29.576 -3.297 -25.438 1.00 0.00 H new ATOM 0 HA MET A 41 27.874 -1.538 -24.052 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.359 -3.661 -25.404 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.902 -4.582 -24.015 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.147 -3.585 -22.622 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.637 -2.562 -23.951 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.849 -4.533 -26.379 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.281 -3.487 -26.224 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.479 -5.220 -26.575 1.00 0.00 H new ATOM 574 N SER A 42 29.710 -3.505 -22.153 1.00 0.00 N ATOM 575 CA SER A 42 30.143 -3.734 -20.780 1.00 0.00 C ATOM 576 C SER A 42 30.824 -2.495 -20.211 1.00 0.00 C ATOM 577 O SER A 42 30.652 -2.165 -19.036 1.00 0.00 O ATOM 578 CB SER A 42 31.087 -4.940 -20.709 1.00 0.00 C ATOM 579 OG SER A 42 31.437 -5.242 -19.370 1.00 0.00 O ATOM 0 H SER A 42 30.180 -4.089 -22.845 1.00 0.00 H new ATOM 0 HA SER A 42 29.260 -3.946 -20.177 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.609 -5.806 -21.166 1.00 0.00 H new ATOM 0 HB3 SER A 42 31.989 -4.733 -21.285 1.00 0.00 H new ATOM 0 HG SER A 42 32.038 -6.016 -19.356 1.00 0.00 H new ATOM 585 N THR A 43 31.575 -1.799 -21.054 1.00 0.00 N ATOM 586 CA THR A 43 32.273 -0.598 -20.633 1.00 0.00 C ATOM 587 C THR A 43 31.284 0.504 -20.257 1.00 0.00 C ATOM 588 O THR A 43 31.460 1.194 -19.253 1.00 0.00 O ATOM 589 CB THR A 43 33.232 -0.106 -21.734 1.00 0.00 C ATOM 590 OG1 THR A 43 34.199 -1.130 -22.008 1.00 0.00 O ATOM 591 CG2 THR A 43 33.943 1.176 -21.318 1.00 0.00 C ATOM 0 H THR A 43 31.715 -2.048 -22.033 1.00 0.00 H new ATOM 0 HA THR A 43 32.862 -0.846 -19.750 1.00 0.00 H new ATOM 0 HB THR A 43 32.649 0.110 -22.630 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.803 -1.804 -22.599 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.612 1.497 -22.117 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.206 1.956 -21.128 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.521 0.994 -20.412 1.00 0.00 H new ATOM 599 N ILE A 44 30.227 0.644 -21.045 1.00 0.00 N ATOM 600 CA ILE A 44 29.197 1.624 -20.745 1.00 0.00 C ATOM 601 C ILE A 44 28.469 1.234 -19.463 1.00 0.00 C ATOM 602 O ILE A 44 28.116 2.087 -18.646 1.00 0.00 O ATOM 603 CB ILE A 44 28.170 1.755 -21.885 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.873 2.013 -23.222 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.184 2.871 -21.570 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.763 3.235 -23.218 1.00 0.00 C ATOM 0 H ILE A 44 30.062 0.096 -21.889 1.00 0.00 H new ATOM 0 HA ILE A 44 29.693 2.587 -20.624 1.00 0.00 H new ATOM 0 HB ILE A 44 27.621 0.817 -21.971 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.472 1.140 -23.481 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.120 2.126 -24.002 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.461 2.957 -22.381 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.662 2.643 -20.641 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.722 3.813 -21.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.225 3.352 -24.198 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.167 4.119 -22.991 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.540 3.117 -22.462 1.00 0.00 H new ATOM 618 N ALA A 45 28.262 -0.066 -19.295 1.00 0.00 N ATOM 619 CA ALA A 45 27.660 -0.595 -18.079 1.00 0.00 C ATOM 620 C ALA A 45 28.484 -0.201 -16.859 1.00 0.00 C ATOM 621 O ALA A 45 27.935 0.138 -15.809 1.00 0.00 O ATOM 622 CB ALA A 45 27.530 -2.108 -18.169 1.00 0.00 C ATOM 0 H ALA A 45 28.503 -0.775 -19.988 1.00 0.00 H new ATOM 0 HA ALA A 45 26.663 -0.167 -17.972 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.079 -2.490 -17.253 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.901 -2.369 -19.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.517 -2.551 -18.299 1.00 0.00 H new ATOM 628 N GLN A 46 29.805 -0.226 -17.013 1.00 0.00 N ATOM 629 CA GLN A 46 30.704 0.173 -15.939 1.00 0.00 C ATOM 630 C GLN A 46 30.501 1.639 -15.589 1.00 0.00 C ATOM 631 O GLN A 46 30.575 2.021 -14.421 1.00 0.00 O ATOM 632 CB GLN A 46 32.168 -0.048 -16.324 1.00 0.00 C ATOM 633 CG GLN A 46 32.532 -1.489 -16.637 1.00 0.00 C ATOM 634 CD GLN A 46 32.010 -2.464 -15.606 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.649 -2.707 -14.579 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.865 -3.062 -15.893 1.00 0.00 N ATOM 0 H GLN A 46 30.274 -0.518 -17.870 1.00 0.00 H new ATOM 0 HA GLN A 46 30.469 -0.448 -15.075 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.398 0.567 -17.194 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.801 0.303 -15.509 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.133 -1.755 -17.616 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.616 -1.579 -16.699 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.370 -2.830 -16.754 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.477 -3.755 -15.253 1.00 0.00 H new ATOM 645 N SER A 47 30.221 2.448 -16.603 1.00 0.00 N ATOM 646 CA SER A 47 30.069 3.881 -16.420 1.00 0.00 C ATOM 647 C SER A 47 28.898 4.173 -15.485 1.00 0.00 C ATOM 648 O SER A 47 28.964 5.085 -14.657 1.00 0.00 O ATOM 649 CB SER A 47 29.864 4.564 -17.777 1.00 0.00 C ATOM 650 OG SER A 47 30.178 5.945 -17.718 1.00 0.00 O ATOM 0 H SER A 47 30.095 2.131 -17.564 1.00 0.00 H new ATOM 0 HA SER A 47 30.976 4.279 -15.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.489 4.080 -18.527 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.829 4.439 -18.096 1.00 0.00 H new ATOM 0 HG SER A 47 30.038 6.350 -18.599 1.00 0.00 H new ATOM 656 N MET A 48 27.837 3.378 -15.606 1.00 0.00 N ATOM 657 CA MET A 48 26.669 3.535 -14.746 1.00 0.00 C ATOM 658 C MET A 48 27.015 3.146 -13.317 1.00 0.00 C ATOM 659 O MET A 48 26.731 3.885 -12.376 1.00 0.00 O ATOM 660 CB MET A 48 25.494 2.683 -15.235 1.00 0.00 C ATOM 661 CG MET A 48 25.078 2.972 -16.666 1.00 0.00 C ATOM 662 SD MET A 48 23.464 2.280 -17.072 1.00 0.00 S ATOM 663 CE MET A 48 22.398 3.220 -15.982 1.00 0.00 C ATOM 0 H MET A 48 27.763 2.623 -16.288 1.00 0.00 H new ATOM 0 HA MET A 48 26.372 4.583 -14.781 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.762 1.630 -15.151 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.640 2.848 -14.578 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.057 4.050 -16.824 1.00 0.00 H new ATOM 0 HG3 MET A 48 25.825 2.565 -17.347 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.382 3.220 -16.378 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.401 2.767 -14.991 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.761 4.246 -15.914 1.00 0.00 H new ATOM 673 N VAL A 49 27.654 1.989 -13.172 1.00 0.00 N ATOM 674 CA VAL A 49 28.030 1.476 -11.859 1.00 0.00 C ATOM 675 C VAL A 49 28.914 2.472 -11.117 1.00 0.00 C ATOM 676 O VAL A 49 28.663 2.786 -9.956 1.00 0.00 O ATOM 677 CB VAL A 49 28.777 0.128 -11.969 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.154 -0.400 -10.592 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.935 -0.890 -12.719 1.00 0.00 C ATOM 0 H VAL A 49 27.923 1.387 -13.951 1.00 0.00 H new ATOM 0 HA VAL A 49 27.105 1.324 -11.303 1.00 0.00 H new ATOM 0 HB VAL A 49 29.696 0.296 -12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.679 -1.350 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.803 0.319 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.251 -0.548 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.478 -1.833 -12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.997 -1.049 -12.187 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.725 -0.520 -13.723 1.00 0.00 H new ATOM 689 N GLN A 50 29.930 2.984 -11.801 1.00 0.00 N ATOM 690 CA GLN A 50 30.876 3.912 -11.191 1.00 0.00 C ATOM 691 C GLN A 50 30.207 5.223 -10.777 1.00 0.00 C ATOM 692 O GLN A 50 30.668 5.895 -9.854 1.00 0.00 O ATOM 693 CB GLN A 50 32.038 4.182 -12.142 1.00 0.00 C ATOM 694 CG GLN A 50 32.926 2.968 -12.339 1.00 0.00 C ATOM 695 CD GLN A 50 33.543 2.489 -11.039 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.818 3.280 -10.139 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.741 1.187 -10.919 1.00 0.00 N ATOM 0 H GLN A 50 30.121 2.772 -12.780 1.00 0.00 H new ATOM 0 HA GLN A 50 31.258 3.443 -10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.646 4.501 -13.108 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.637 5.006 -11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.341 2.161 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.718 3.211 -13.047 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.500 0.562 -11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.134 0.808 -10.058 1.00 0.00 H new ATOM 706 N SER A 51 29.123 5.577 -11.449 1.00 0.00 N ATOM 707 CA SER A 51 28.375 6.774 -11.100 1.00 0.00 C ATOM 708 C SER A 51 27.534 6.507 -9.854 1.00 0.00 C ATOM 709 O SER A 51 27.543 7.288 -8.898 1.00 0.00 O ATOM 710 CB SER A 51 27.479 7.195 -12.271 1.00 0.00 C ATOM 711 OG SER A 51 26.815 8.419 -12.005 1.00 0.00 O ATOM 0 H SER A 51 28.742 5.054 -12.237 1.00 0.00 H new ATOM 0 HA SER A 51 29.071 7.586 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 51 28.082 7.296 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.742 6.415 -12.465 1.00 0.00 H new ATOM 0 HG SER A 51 26.254 8.660 -12.771 1.00 0.00 H new ATOM 717 N ILE A 52 26.842 5.374 -9.862 1.00 0.00 N ATOM 718 CA ILE A 52 25.973 4.987 -8.757 1.00 0.00 C ATOM 719 C ILE A 52 26.776 4.770 -7.474 1.00 0.00 C ATOM 720 O ILE A 52 26.273 5.012 -6.376 1.00 0.00 O ATOM 721 CB ILE A 52 25.177 3.711 -9.109 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.348 3.957 -10.370 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.275 3.290 -7.953 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.678 2.717 -10.907 1.00 0.00 C ATOM 0 H ILE A 52 26.867 4.702 -10.629 1.00 0.00 H new ATOM 0 HA ILE A 52 25.270 5.802 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 52 25.882 2.900 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.586 4.706 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.994 4.374 -11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.727 2.389 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.883 3.089 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.569 4.091 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.108 2.970 -11.801 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.435 1.974 -11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.006 2.310 -10.151 1.00 0.00 H new ATOM 736 N GLN A 53 28.033 4.341 -7.623 1.00 0.00 N ATOM 737 CA GLN A 53 28.934 4.162 -6.482 1.00 0.00 C ATOM 738 C GLN A 53 28.961 5.405 -5.598 1.00 0.00 C ATOM 739 O GLN A 53 28.989 5.304 -4.373 1.00 0.00 O ATOM 740 CB GLN A 53 30.357 3.844 -6.958 1.00 0.00 C ATOM 741 CG GLN A 53 30.521 2.445 -7.532 1.00 0.00 C ATOM 742 CD GLN A 53 30.194 1.356 -6.527 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.349 1.539 -5.319 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.742 0.212 -7.018 1.00 0.00 N ATOM 0 H GLN A 53 28.450 4.111 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 53 28.555 3.324 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.647 4.572 -7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.044 3.965 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.874 2.336 -8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.546 2.317 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.627 0.099 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.509 -0.556 -6.389 1.00 0.00 H new ATOM 753 N SER A 54 28.944 6.572 -6.224 1.00 0.00 N ATOM 754 CA SER A 54 28.966 7.823 -5.490 1.00 0.00 C ATOM 755 C SER A 54 27.554 8.382 -5.322 1.00 0.00 C ATOM 756 O SER A 54 27.214 8.919 -4.269 1.00 0.00 O ATOM 757 CB SER A 54 29.851 8.829 -6.219 1.00 0.00 C ATOM 758 OG SER A 54 31.112 8.256 -6.523 1.00 0.00 O ATOM 0 H SER A 54 28.915 6.676 -7.238 1.00 0.00 H new ATOM 0 HA SER A 54 29.374 7.638 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 54 29.362 9.153 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.988 9.716 -5.601 1.00 0.00 H new ATOM 0 HG SER A 54 31.666 8.914 -6.992 1.00 0.00 H new ATOM 764 N LEU A 55 26.727 8.233 -6.355 1.00 0.00 N ATOM 765 CA LEU A 55 25.377 8.789 -6.353 1.00 0.00 C ATOM 766 C LEU A 55 24.546 8.223 -5.204 1.00 0.00 C ATOM 767 O LEU A 55 23.830 8.960 -4.521 1.00 0.00 O ATOM 768 CB LEU A 55 24.686 8.500 -7.689 1.00 0.00 C ATOM 769 CG LEU A 55 23.386 9.269 -7.939 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.670 10.756 -8.084 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.682 8.736 -9.179 1.00 0.00 C ATOM 0 H LEU A 55 26.971 7.729 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 55 25.458 9.867 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 55 25.383 8.728 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.473 7.433 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 55 22.728 9.125 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.736 11.289 -8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 55 24.133 11.129 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 24.345 10.917 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.760 9.294 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.334 8.851 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.448 7.681 -9.039 1.00 0.00 H new ATOM 783 N ALA A 56 24.665 6.919 -4.980 1.00 0.00 N ATOM 784 CA ALA A 56 23.889 6.243 -3.949 1.00 0.00 C ATOM 785 C ALA A 56 24.500 6.438 -2.565 1.00 0.00 C ATOM 786 O ALA A 56 23.855 6.171 -1.555 1.00 0.00 O ATOM 787 CB ALA A 56 23.773 4.762 -4.264 1.00 0.00 C ATOM 0 H ALA A 56 25.294 6.308 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 56 22.894 6.688 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.191 4.269 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.276 4.632 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 56 24.768 4.320 -4.307 1.00 0.00 H new ATOM 793 N ALA A 57 25.735 6.925 -2.522 1.00 0.00 N ATOM 794 CA ALA A 57 26.426 7.131 -1.261 1.00 0.00 C ATOM 795 C ALA A 57 26.187 8.550 -0.790 1.00 0.00 C ATOM 796 O ALA A 57 26.137 8.831 0.408 1.00 0.00 O ATOM 797 CB ALA A 57 27.916 6.860 -1.414 1.00 0.00 C ATOM 0 H ALA A 57 26.276 7.184 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 57 26.036 6.434 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.415 7.020 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.067 5.829 -1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.334 7.537 -2.159 1.00 0.00 H new ATOM 803 N GLN A 58 26.027 9.445 -1.755 1.00 0.00 N ATOM 804 CA GLN A 58 25.711 10.829 -1.465 1.00 0.00 C ATOM 805 C GLN A 58 24.209 11.003 -1.240 1.00 0.00 C ATOM 806 O GLN A 58 23.745 12.091 -0.904 1.00 0.00 O ATOM 807 CB GLN A 58 26.188 11.735 -2.601 1.00 0.00 C ATOM 808 CG GLN A 58 27.694 11.698 -2.813 1.00 0.00 C ATOM 809 CD GLN A 58 28.151 12.562 -3.971 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.305 12.700 -4.980 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.260 13.095 -3.964 1.00 0.00 N flip ATOM 0 H GLN A 58 26.112 9.232 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 58 26.231 11.115 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 58 25.691 11.439 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 58 25.884 12.760 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.192 12.029 -1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.005 10.668 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 58 29.884 12.965 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 58 29.556 13.667 -4.755 1.00 0.00 H new ATOM 820 N GLY A 59 23.459 9.921 -1.441 1.00 0.00 N ATOM 821 CA GLY A 59 22.021 9.946 -1.240 1.00 0.00 C ATOM 822 C GLY A 59 21.312 10.852 -2.225 1.00 0.00 C ATOM 823 O GLY A 59 20.280 11.438 -1.912 1.00 0.00 O ATOM 0 H GLY A 59 23.828 9.019 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 59 21.627 8.934 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.805 10.279 -0.225 1.00 0.00 H new ATOM 827 N ARG A 60 21.860 10.951 -3.429 1.00 0.00 N ATOM 828 CA ARG A 60 21.329 11.864 -4.431 1.00 0.00 C ATOM 829 C ARG A 60 20.681 11.103 -5.579 1.00 0.00 C ATOM 830 O ARG A 60 20.481 11.647 -6.664 1.00 0.00 O ATOM 831 CB ARG A 60 22.435 12.774 -4.952 1.00 0.00 C ATOM 832 CG ARG A 60 23.058 13.625 -3.860 1.00 0.00 C ATOM 833 CD ARG A 60 24.017 14.646 -4.427 1.00 0.00 C ATOM 834 NE ARG A 60 24.705 15.381 -3.368 1.00 0.00 N ATOM 835 CZ ARG A 60 25.898 15.962 -3.504 1.00 0.00 C ATOM 836 NH1 ARG A 60 26.535 15.934 -4.668 1.00 0.00 N ATOM 837 NH2 ARG A 60 26.451 16.578 -2.468 1.00 0.00 N ATOM 0 H ARG A 60 22.670 10.412 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 60 20.561 12.477 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.210 12.166 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.029 13.425 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.272 14.134 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.585 12.983 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.750 14.146 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.472 15.345 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 60 24.241 15.455 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 60 26.113 15.465 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 60 27.447 16.381 -4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.964 16.606 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.363 17.024 -2.567 1.00 0.00 H new ATOM 851 N THR A 61 20.344 9.845 -5.336 1.00 0.00 N ATOM 852 CA THR A 61 19.721 9.024 -6.359 1.00 0.00 C ATOM 853 C THR A 61 18.202 8.955 -6.154 1.00 0.00 C ATOM 854 O THR A 61 17.632 7.925 -5.787 1.00 0.00 O ATOM 855 CB THR A 61 20.354 7.606 -6.420 1.00 0.00 C ATOM 856 OG1 THR A 61 19.739 6.825 -7.453 1.00 0.00 O ATOM 857 CG2 THR A 61 20.243 6.883 -5.082 1.00 0.00 C ATOM 0 H THR A 61 20.491 9.374 -4.443 1.00 0.00 H new ATOM 0 HA THR A 61 19.906 9.497 -7.323 1.00 0.00 H new ATOM 0 HB THR A 61 21.413 7.730 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.150 5.936 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.696 5.895 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.761 7.458 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.192 6.779 -4.811 1.00 0.00 H new ATOM 865 N SER A 62 17.556 10.090 -6.364 1.00 0.00 N ATOM 866 CA SER A 62 16.108 10.172 -6.314 1.00 0.00 C ATOM 867 C SER A 62 15.515 9.534 -7.572 1.00 0.00 C ATOM 868 O SER A 62 16.211 9.397 -8.577 1.00 0.00 O ATOM 869 CB SER A 62 15.684 11.641 -6.204 1.00 0.00 C ATOM 870 OG SER A 62 16.329 12.269 -5.110 1.00 0.00 O ATOM 0 H SER A 62 18.018 10.975 -6.573 1.00 0.00 H new ATOM 0 HA SER A 62 15.737 9.633 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.930 12.166 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.603 11.704 -6.080 1.00 0.00 H new ATOM 0 HG SER A 62 16.047 13.206 -5.058 1.00 0.00 H new ATOM 876 N PRO A 63 14.227 9.134 -7.536 1.00 0.00 N ATOM 877 CA PRO A 63 13.536 8.514 -8.679 1.00 0.00 C ATOM 878 C PRO A 63 13.769 9.253 -10.002 1.00 0.00 C ATOM 879 O PRO A 63 13.821 8.635 -11.066 1.00 0.00 O ATOM 880 CB PRO A 63 12.049 8.571 -8.287 1.00 0.00 C ATOM 881 CG PRO A 63 11.989 9.356 -7.014 1.00 0.00 C ATOM 882 CD PRO A 63 13.337 9.219 -6.374 1.00 0.00 C ATOM 0 HA PRO A 63 13.906 7.505 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.457 9.048 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.643 7.569 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.757 10.402 -7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.206 8.975 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.575 10.074 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.401 8.330 -5.747 1.00 0.00 H new ATOM 890 N ASN A 64 13.927 10.572 -9.923 1.00 0.00 N ATOM 891 CA ASN A 64 14.174 11.398 -11.106 1.00 0.00 C ATOM 892 C ASN A 64 15.462 10.988 -11.814 1.00 0.00 C ATOM 893 O ASN A 64 15.546 11.039 -13.041 1.00 0.00 O ATOM 894 CB ASN A 64 14.249 12.876 -10.722 1.00 0.00 C ATOM 895 CG ASN A 64 12.949 13.394 -10.142 1.00 0.00 C ATOM 896 OD1 ASN A 64 12.718 13.301 -8.935 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.095 13.950 -10.986 1.00 0.00 N ATOM 0 H ASN A 64 13.888 11.095 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 64 13.340 11.244 -11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.049 13.019 -9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.509 13.464 -11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.208 14.321 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.323 14.008 -11.978 1.00 0.00 H new ATOM 904 N LYS A 65 16.460 10.565 -11.042 1.00 0.00 N ATOM 905 CA LYS A 65 17.730 10.142 -11.616 1.00 0.00 C ATOM 906 C LYS A 65 17.517 8.888 -12.446 1.00 0.00 C ATOM 907 O LYS A 65 17.997 8.788 -13.575 1.00 0.00 O ATOM 908 CB LYS A 65 18.774 9.844 -10.534 1.00 0.00 C ATOM 909 CG LYS A 65 18.899 10.907 -9.453 1.00 0.00 C ATOM 910 CD LYS A 65 19.322 12.273 -9.977 1.00 0.00 C ATOM 911 CE LYS A 65 20.715 12.270 -10.600 1.00 0.00 C ATOM 912 NZ LYS A 65 20.699 11.908 -12.044 1.00 0.00 N ATOM 0 H LYS A 65 16.413 10.507 -10.025 1.00 0.00 H new ATOM 0 HA LYS A 65 18.101 10.959 -12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.525 8.894 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.745 9.717 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.941 11.005 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.624 10.573 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.599 12.610 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.298 12.993 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.163 13.257 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 21.348 11.566 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.423 12.459 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.900 10.893 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.763 12.119 -12.444 1.00 0.00 H new ATOM 926 N LEU A 66 16.771 7.941 -11.883 1.00 0.00 N ATOM 927 CA LEU A 66 16.527 6.666 -12.543 1.00 0.00 C ATOM 928 C LEU A 66 15.646 6.865 -13.770 1.00 0.00 C ATOM 929 O LEU A 66 15.766 6.143 -14.758 1.00 0.00 O ATOM 930 CB LEU A 66 15.887 5.651 -11.586 1.00 0.00 C ATOM 931 CG LEU A 66 16.695 5.303 -10.322 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.191 5.453 -10.551 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.254 6.148 -9.144 1.00 0.00 C ATOM 0 H LEU A 66 16.326 8.035 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 66 17.490 6.265 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.916 6.038 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.702 4.730 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 66 16.496 4.256 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.726 5.199 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.505 4.785 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.415 6.483 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.841 5.881 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.406 7.202 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.198 5.969 -8.943 1.00 0.00 H new ATOM 945 N GLN A 67 14.766 7.852 -13.695 1.00 0.00 N ATOM 946 CA GLN A 67 13.945 8.243 -14.833 1.00 0.00 C ATOM 947 C GLN A 67 14.830 8.718 -15.985 1.00 0.00 C ATOM 948 O GLN A 67 14.604 8.372 -17.145 1.00 0.00 O ATOM 949 CB GLN A 67 12.992 9.370 -14.425 1.00 0.00 C ATOM 950 CG GLN A 67 12.181 9.939 -15.579 1.00 0.00 C ATOM 951 CD GLN A 67 11.671 11.333 -15.284 1.00 0.00 C ATOM 952 OE1 GLN A 67 10.574 11.515 -14.756 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.473 12.333 -15.621 1.00 0.00 N ATOM 0 H GLN A 67 14.601 8.401 -12.851 1.00 0.00 H new ATOM 0 HA GLN A 67 13.367 7.378 -15.159 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.308 8.996 -13.663 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.570 10.174 -13.969 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.797 9.962 -16.478 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.337 9.281 -15.787 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.375 12.139 -16.057 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.189 13.297 -15.444 1.00 0.00 H new ATOM 962 N ALA A 68 15.845 9.505 -15.649 1.00 0.00 N ATOM 963 CA ALA A 68 16.727 10.088 -16.646 1.00 0.00 C ATOM 964 C ALA A 68 17.657 9.048 -17.255 1.00 0.00 C ATOM 965 O ALA A 68 17.766 8.949 -18.477 1.00 0.00 O ATOM 966 CB ALA A 68 17.525 11.235 -16.043 1.00 0.00 C ATOM 0 H ALA A 68 16.076 9.754 -14.687 1.00 0.00 H new ATOM 0 HA ALA A 68 16.104 10.478 -17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.181 11.661 -16.802 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.841 12.003 -15.682 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.125 10.864 -15.212 1.00 0.00 H new ATOM 972 N LEU A 69 18.307 8.252 -16.410 1.00 0.00 N ATOM 973 CA LEU A 69 19.247 7.253 -16.902 1.00 0.00 C ATOM 974 C LEU A 69 18.520 6.137 -17.646 1.00 0.00 C ATOM 975 O LEU A 69 19.120 5.449 -18.454 1.00 0.00 O ATOM 976 CB LEU A 69 20.127 6.693 -15.769 1.00 0.00 C ATOM 977 CG LEU A 69 19.413 6.267 -14.494 1.00 0.00 C ATOM 978 CD1 LEU A 69 18.671 4.965 -14.714 1.00 0.00 C ATOM 979 CD2 LEU A 69 20.410 6.130 -13.354 1.00 0.00 C ATOM 0 H LEU A 69 18.202 8.279 -15.396 1.00 0.00 H new ATOM 0 HA LEU A 69 19.912 7.748 -17.610 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.673 5.833 -16.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.867 7.449 -15.508 1.00 0.00 H new ATOM 0 HG LEU A 69 18.686 7.034 -14.227 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.166 4.674 -13.793 1.00 0.00 H new ATOM 0 HD12 LEU A 69 17.934 5.096 -15.506 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.378 4.187 -15.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 19.887 5.825 -12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 69 21.157 5.379 -13.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 20.902 7.088 -13.184 1.00 0.00 H new ATOM 991 N ASN A 70 17.225 5.979 -17.371 1.00 0.00 N ATOM 992 CA ASN A 70 16.385 5.005 -18.080 1.00 0.00 C ATOM 993 C ASN A 70 16.532 5.198 -19.590 1.00 0.00 C ATOM 994 O ASN A 70 16.804 4.252 -20.331 1.00 0.00 O ATOM 995 CB ASN A 70 14.914 5.186 -17.644 1.00 0.00 C ATOM 996 CG ASN A 70 13.897 4.314 -18.380 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.038 4.002 -19.558 1.00 0.00 O ATOM 998 ND2 ASN A 70 12.843 3.931 -17.676 1.00 0.00 N ATOM 0 H ASN A 70 16.730 6.515 -16.658 1.00 0.00 H new ATOM 0 HA ASN A 70 16.702 3.992 -17.832 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.841 4.976 -16.577 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.638 6.231 -17.783 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.119 3.360 -18.112 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.755 4.207 -16.698 1.00 0.00 H new ATOM 1005 N MET A 71 16.399 6.445 -20.020 1.00 0.00 N ATOM 1006 CA MET A 71 16.453 6.790 -21.434 1.00 0.00 C ATOM 1007 C MET A 71 17.837 6.536 -22.015 1.00 0.00 C ATOM 1008 O MET A 71 17.983 5.822 -23.005 1.00 0.00 O ATOM 1009 CB MET A 71 16.068 8.257 -21.624 1.00 0.00 C ATOM 1010 CG MET A 71 14.605 8.532 -21.337 1.00 0.00 C ATOM 1011 SD MET A 71 14.211 10.290 -21.303 1.00 0.00 S ATOM 1012 CE MET A 71 15.046 10.796 -19.796 1.00 0.00 C ATOM 0 H MET A 71 16.251 7.243 -19.402 1.00 0.00 H new ATOM 0 HA MET A 71 15.744 6.155 -21.965 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.683 8.875 -20.969 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.293 8.555 -22.648 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.994 8.043 -22.096 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.339 8.087 -20.378 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.415 11.495 -19.247 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.242 9.920 -19.177 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.989 11.280 -20.048 1.00 0.00 H new ATOM 1022 N ARG A 72 18.849 7.115 -21.383 1.00 0.00 N ATOM 1023 CA ARG A 72 20.223 7.007 -21.874 1.00 0.00 C ATOM 1024 C ARG A 72 20.760 5.584 -21.773 1.00 0.00 C ATOM 1025 O ARG A 72 21.597 5.175 -22.578 1.00 0.00 O ATOM 1026 CB ARG A 72 21.146 7.982 -21.140 1.00 0.00 C ATOM 1027 CG ARG A 72 20.952 9.429 -21.565 1.00 0.00 C ATOM 1028 CD ARG A 72 21.075 9.577 -23.076 1.00 0.00 C ATOM 1029 NE ARG A 72 21.026 10.971 -23.514 1.00 0.00 N ATOM 1030 CZ ARG A 72 20.128 11.453 -24.375 1.00 0.00 C ATOM 1031 NH1 ARG A 72 19.161 10.674 -24.849 1.00 0.00 N ATOM 1032 NH2 ARG A 72 20.199 12.716 -24.767 1.00 0.00 N ATOM 0 H ARG A 72 18.748 7.665 -20.530 1.00 0.00 H new ATOM 0 HA ARG A 72 20.203 7.274 -22.931 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.971 7.899 -20.067 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.182 7.694 -21.318 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.972 9.778 -21.241 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.694 10.058 -21.073 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.013 9.130 -23.405 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.271 9.021 -23.558 1.00 0.00 H new ATOM 0 HE ARG A 72 21.722 11.615 -23.138 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.101 9.699 -24.555 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.479 11.051 -25.507 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.940 13.320 -24.411 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.513 13.085 -25.425 1.00 0.00 H new ATOM 1046 N PHE A 73 20.283 4.833 -20.792 1.00 0.00 N ATOM 1047 CA PHE A 73 20.637 3.427 -20.669 1.00 0.00 C ATOM 1048 C PHE A 73 20.161 2.669 -21.901 1.00 0.00 C ATOM 1049 O PHE A 73 20.949 2.030 -22.591 1.00 0.00 O ATOM 1050 CB PHE A 73 20.019 2.833 -19.397 1.00 0.00 C ATOM 1051 CG PHE A 73 20.181 1.345 -19.248 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.437 0.765 -19.180 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.066 0.527 -19.162 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.578 -0.602 -19.030 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.198 -0.840 -19.013 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.456 -1.406 -18.948 1.00 0.00 C ATOM 0 H PHE A 73 19.649 5.174 -20.069 1.00 0.00 H new ATOM 0 HA PHE A 73 21.721 3.335 -20.596 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.467 3.321 -18.531 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.955 3.071 -19.382 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.317 1.388 -19.245 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.080 0.964 -19.212 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.563 -1.041 -18.977 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.319 -1.465 -18.947 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.563 -2.475 -18.833 1.00 0.00 H new ATOM 1066 N ALA A 74 18.875 2.787 -22.194 1.00 0.00 N ATOM 1067 CA ALA A 74 18.285 2.110 -23.337 1.00 0.00 C ATOM 1068 C ALA A 74 18.984 2.491 -24.641 1.00 0.00 C ATOM 1069 O ALA A 74 19.266 1.634 -25.480 1.00 0.00 O ATOM 1070 CB ALA A 74 16.807 2.433 -23.422 1.00 0.00 C ATOM 0 H ALA A 74 18.218 3.348 -21.653 1.00 0.00 H new ATOM 0 HA ALA A 74 18.414 1.037 -23.195 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.372 1.922 -24.281 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.309 2.100 -22.511 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.676 3.509 -23.535 1.00 0.00 H new ATOM 1076 N SER A 75 19.278 3.777 -24.800 1.00 0.00 N ATOM 1077 CA SER A 75 19.889 4.269 -26.025 1.00 0.00 C ATOM 1078 C SER A 75 21.365 3.875 -26.130 1.00 0.00 C ATOM 1079 O SER A 75 21.911 3.810 -27.230 1.00 0.00 O ATOM 1080 CB SER A 75 19.727 5.788 -26.132 1.00 0.00 C ATOM 1081 OG SER A 75 20.161 6.441 -24.951 1.00 0.00 O ATOM 0 H SER A 75 19.103 4.494 -24.096 1.00 0.00 H new ATOM 0 HA SER A 75 19.369 3.799 -26.860 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.298 6.157 -26.984 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.681 6.031 -26.320 1.00 0.00 H new ATOM 0 HG SER A 75 20.728 5.834 -24.431 1.00 0.00 H new ATOM 1087 N SER A 76 22.011 3.588 -25.003 1.00 0.00 N ATOM 1088 CA SER A 76 23.423 3.226 -25.030 1.00 0.00 C ATOM 1089 C SER A 76 23.608 1.863 -25.688 1.00 0.00 C ATOM 1090 O SER A 76 24.551 1.654 -26.454 1.00 0.00 O ATOM 1091 CB SER A 76 24.030 3.236 -23.624 1.00 0.00 C ATOM 1092 OG SER A 76 23.538 2.172 -22.828 1.00 0.00 O ATOM 0 H SER A 76 21.587 3.599 -24.075 1.00 0.00 H new ATOM 0 HA SER A 76 23.951 3.974 -25.621 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.115 3.163 -23.697 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.806 4.186 -23.139 1.00 0.00 H new ATOM 0 HG SER A 76 22.560 2.218 -22.789 1.00 0.00 H new ATOM 1098 N MET A 77 22.694 0.937 -25.400 1.00 0.00 N ATOM 1099 CA MET A 77 22.703 -0.357 -26.066 1.00 0.00 C ATOM 1100 C MET A 77 22.268 -0.203 -27.513 1.00 0.00 C ATOM 1101 O MET A 77 22.680 -0.973 -28.374 1.00 0.00 O ATOM 1102 CB MET A 77 21.795 -1.370 -25.360 1.00 0.00 C ATOM 1103 CG MET A 77 22.357 -1.903 -24.049 1.00 0.00 C ATOM 1104 SD MET A 77 21.904 -0.891 -22.632 1.00 0.00 S ATOM 1105 CE MET A 77 20.127 -1.112 -22.621 1.00 0.00 C ATOM 0 H MET A 77 21.947 1.060 -24.717 1.00 0.00 H new ATOM 0 HA MET A 77 23.724 -0.737 -26.026 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.830 -0.902 -25.165 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.613 -2.209 -26.032 1.00 0.00 H new ATOM 0 HG2 MET A 77 21.998 -2.920 -23.892 1.00 0.00 H new ATOM 0 HG3 MET A 77 23.443 -1.955 -24.120 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.686 -0.476 -21.853 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.720 -0.840 -23.595 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.891 -2.155 -22.408 1.00 0.00 H new ATOM 1115 N ALA A 78 21.439 0.801 -27.774 1.00 0.00 N ATOM 1116 CA ALA A 78 20.958 1.070 -29.126 1.00 0.00 C ATOM 1117 C ALA A 78 22.112 1.421 -30.054 1.00 0.00 C ATOM 1118 O ALA A 78 22.170 0.952 -31.188 1.00 0.00 O ATOM 1119 CB ALA A 78 19.929 2.188 -29.112 1.00 0.00 C ATOM 0 H ALA A 78 21.085 1.444 -27.066 1.00 0.00 H new ATOM 0 HA ALA A 78 20.483 0.164 -29.503 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.581 2.375 -30.128 1.00 0.00 H new ATOM 0 HB2 ALA A 78 19.084 1.897 -28.487 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.382 3.095 -28.711 1.00 0.00 H new ATOM 1125 N GLU A 79 23.040 2.231 -29.550 1.00 0.00 N ATOM 1126 CA GLU A 79 24.238 2.620 -30.301 1.00 0.00 C ATOM 1127 C GLU A 79 25.003 1.390 -30.789 1.00 0.00 C ATOM 1128 O GLU A 79 25.652 1.410 -31.837 1.00 0.00 O ATOM 1129 CB GLU A 79 25.161 3.446 -29.402 1.00 0.00 C ATOM 1130 CG GLU A 79 24.506 4.677 -28.801 1.00 0.00 C ATOM 1131 CD GLU A 79 24.386 5.824 -29.780 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.325 6.648 -29.847 1.00 0.00 O ATOM 1133 OE2 GLU A 79 23.360 5.918 -30.475 1.00 0.00 O ATOM 0 H GLU A 79 22.987 2.636 -28.615 1.00 0.00 H new ATOM 0 HA GLU A 79 23.921 3.206 -31.164 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.526 2.812 -28.594 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.031 3.757 -29.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.513 4.412 -28.438 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.085 5.004 -27.937 1.00 0.00 H new ATOM 1140 N ILE A 80 24.926 0.329 -30.003 1.00 0.00 N ATOM 1141 CA ILE A 80 25.640 -0.906 -30.280 1.00 0.00 C ATOM 1142 C ILE A 80 24.773 -1.884 -31.074 1.00 0.00 C ATOM 1143 O ILE A 80 25.210 -2.452 -32.074 1.00 0.00 O ATOM 1144 CB ILE A 80 26.080 -1.547 -28.953 1.00 0.00 C ATOM 1145 CG1 ILE A 80 27.010 -0.586 -28.212 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.754 -2.889 -29.186 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.369 -1.040 -26.822 1.00 0.00 C ATOM 0 H ILE A 80 24.365 0.300 -29.152 1.00 0.00 H new ATOM 0 HA ILE A 80 26.515 -0.672 -30.886 1.00 0.00 H new ATOM 0 HB ILE A 80 25.198 -1.734 -28.341 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.925 -0.461 -28.791 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.534 0.393 -28.153 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.053 -3.317 -28.229 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.058 -3.564 -29.683 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.635 -2.750 -29.813 1.00 0.00 H new ATOM 0 HD11 ILE A 80 28.031 -0.308 -26.360 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.462 -1.137 -26.225 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.874 -2.004 -26.873 1.00 0.00 H new ATOM 1159 N ALA A 81 23.536 -2.055 -30.626 1.00 0.00 N ATOM 1160 CA ALA A 81 22.596 -2.979 -31.256 1.00 0.00 C ATOM 1161 C ALA A 81 22.232 -2.551 -32.683 1.00 0.00 C ATOM 1162 O ALA A 81 21.701 -3.347 -33.461 1.00 0.00 O ATOM 1163 CB ALA A 81 21.336 -3.094 -30.407 1.00 0.00 C ATOM 0 H ALA A 81 23.155 -1.560 -29.819 1.00 0.00 H new ATOM 0 HA ALA A 81 23.085 -3.951 -31.323 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.639 -3.784 -30.882 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.597 -3.466 -29.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.869 -2.113 -30.314 1.00 0.00 H new ATOM 1169 N ALA A 82 22.509 -1.292 -33.017 1.00 0.00 N ATOM 1170 CA ALA A 82 22.229 -0.763 -34.352 1.00 0.00 C ATOM 1171 C ALA A 82 23.354 -1.104 -35.324 1.00 0.00 C ATOM 1172 O ALA A 82 23.284 -0.790 -36.512 1.00 0.00 O ATOM 1173 CB ALA A 82 22.035 0.746 -34.293 1.00 0.00 C ATOM 0 H ALA A 82 22.929 -0.616 -32.379 1.00 0.00 H new ATOM 0 HA ALA A 82 21.311 -1.228 -34.712 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.827 1.126 -35.293 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.198 0.980 -33.635 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.941 1.214 -33.908 1.00 0.00 H new ATOM 1241 N SER A 89 18.746 -9.660 -35.954 1.00 0.00 N ATOM 1242 CA SER A 89 17.687 -8.667 -36.051 1.00 0.00 C ATOM 1243 C SER A 89 17.729 -7.754 -34.835 1.00 0.00 C ATOM 1244 O SER A 89 18.255 -8.124 -33.781 1.00 0.00 O ATOM 1245 CB SER A 89 16.312 -9.340 -36.148 1.00 0.00 C ATOM 1246 OG SER A 89 15.266 -8.380 -36.169 1.00 0.00 O ATOM 0 HA SER A 89 17.846 -8.080 -36.956 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.266 -9.950 -37.050 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.174 -10.013 -35.301 1.00 0.00 H new ATOM 0 HG SER A 89 14.402 -8.839 -36.233 1.00 0.00 H new ATOM 1252 N LEU A 90 17.183 -6.557 -34.978 1.00 0.00 N ATOM 1253 CA LEU A 90 17.082 -5.636 -33.861 1.00 0.00 C ATOM 1254 C LEU A 90 16.077 -6.170 -32.847 1.00 0.00 C ATOM 1255 O LEU A 90 16.288 -6.070 -31.643 1.00 0.00 O ATOM 1256 CB LEU A 90 16.668 -4.242 -34.344 1.00 0.00 C ATOM 1257 CG LEU A 90 16.536 -3.180 -33.251 1.00 0.00 C ATOM 1258 CD1 LEU A 90 17.865 -2.962 -32.546 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.022 -1.877 -33.840 1.00 0.00 C ATOM 0 H LEU A 90 16.804 -6.202 -35.856 1.00 0.00 H new ATOM 0 HA LEU A 90 18.059 -5.551 -33.384 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.400 -3.897 -35.075 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.713 -4.325 -34.863 1.00 0.00 H new ATOM 0 HG LEU A 90 15.817 -3.535 -32.513 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.747 -2.203 -31.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.192 -3.896 -32.090 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.610 -2.631 -33.269 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.933 -1.131 -33.050 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.719 -1.521 -34.599 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.045 -2.043 -34.294 1.00 0.00 H new ATOM 1271 N SER A 91 15.010 -6.783 -33.356 1.00 0.00 N ATOM 1272 CA SER A 91 13.962 -7.341 -32.510 1.00 0.00 C ATOM 1273 C SER A 91 14.500 -8.534 -31.725 1.00 0.00 C ATOM 1274 O SER A 91 14.090 -8.790 -30.594 1.00 0.00 O ATOM 1275 CB SER A 91 12.764 -7.764 -33.367 1.00 0.00 C ATOM 1276 OG SER A 91 11.626 -8.032 -32.564 1.00 0.00 O ATOM 0 H SER A 91 14.850 -6.905 -34.356 1.00 0.00 H new ATOM 0 HA SER A 91 13.635 -6.578 -31.804 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.530 -6.976 -34.083 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.022 -8.652 -33.944 1.00 0.00 H new ATOM 0 HG SER A 91 10.877 -8.298 -33.137 1.00 0.00 H new ATOM 1282 N THR A 92 15.428 -9.257 -32.333 1.00 0.00 N ATOM 1283 CA THR A 92 16.072 -10.381 -31.680 1.00 0.00 C ATOM 1284 C THR A 92 16.898 -9.905 -30.486 1.00 0.00 C ATOM 1285 O THR A 92 16.837 -10.481 -29.400 1.00 0.00 O ATOM 1286 CB THR A 92 16.988 -11.130 -32.669 1.00 0.00 C ATOM 1287 OG1 THR A 92 16.254 -11.465 -33.855 1.00 0.00 O ATOM 1288 CG2 THR A 92 17.563 -12.395 -32.043 1.00 0.00 C ATOM 0 H THR A 92 15.752 -9.082 -33.284 1.00 0.00 H new ATOM 0 HA THR A 92 15.293 -11.058 -31.330 1.00 0.00 H new ATOM 0 HB THR A 92 17.818 -10.472 -32.926 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.872 -11.793 -34.541 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.204 -12.900 -32.766 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.147 -12.131 -31.161 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.749 -13.060 -31.753 1.00 0.00 H new ATOM 1296 N LYS A 93 17.633 -8.819 -30.685 1.00 0.00 N ATOM 1297 CA LYS A 93 18.592 -8.361 -29.690 1.00 0.00 C ATOM 1298 C LYS A 93 17.926 -7.557 -28.577 1.00 0.00 C ATOM 1299 O LYS A 93 18.458 -7.477 -27.470 1.00 0.00 O ATOM 1300 CB LYS A 93 19.705 -7.551 -30.356 1.00 0.00 C ATOM 1301 CG LYS A 93 20.438 -8.329 -31.438 1.00 0.00 C ATOM 1302 CD LYS A 93 21.763 -7.685 -31.819 1.00 0.00 C ATOM 1303 CE LYS A 93 21.592 -6.247 -32.269 1.00 0.00 C ATOM 1304 NZ LYS A 93 20.639 -6.121 -33.402 1.00 0.00 N ATOM 0 H LYS A 93 17.584 -8.241 -31.524 1.00 0.00 H new ATOM 0 HA LYS A 93 19.030 -9.245 -29.226 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.279 -6.647 -30.791 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.420 -7.233 -29.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.618 -9.347 -31.091 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.805 -8.401 -32.322 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.440 -7.719 -30.966 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.229 -8.261 -32.618 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.239 -5.646 -31.431 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.560 -5.843 -32.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.529 -5.118 -33.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.004 -6.645 -34.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.716 -6.512 -33.125 1.00 0.00 H new ATOM 1318 N THR A 94 16.768 -6.970 -28.854 1.00 0.00 N ATOM 1319 CA THR A 94 16.038 -6.242 -27.827 1.00 0.00 C ATOM 1320 C THR A 94 15.495 -7.204 -26.774 1.00 0.00 C ATOM 1321 O THR A 94 15.508 -6.908 -25.576 1.00 0.00 O ATOM 1322 CB THR A 94 14.885 -5.413 -28.428 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.146 -6.200 -29.366 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.416 -4.163 -29.112 1.00 0.00 C ATOM 0 H THR A 94 16.320 -6.984 -29.770 1.00 0.00 H new ATOM 0 HA THR A 94 16.738 -5.552 -27.355 1.00 0.00 H new ATOM 0 HB THR A 94 14.226 -5.111 -27.614 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.416 -5.664 -29.740 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.584 -3.595 -29.528 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.948 -3.549 -28.385 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.097 -4.448 -29.914 1.00 0.00 H new ATOM 1332 N SER A 95 15.034 -8.365 -27.227 1.00 0.00 N ATOM 1333 CA SER A 95 14.582 -9.414 -26.338 1.00 0.00 C ATOM 1334 C SER A 95 15.763 -9.998 -25.560 1.00 0.00 C ATOM 1335 O SER A 95 15.642 -10.311 -24.374 1.00 0.00 O ATOM 1336 CB SER A 95 13.892 -10.499 -27.158 1.00 0.00 C ATOM 1337 OG SER A 95 12.839 -9.949 -27.935 1.00 0.00 O ATOM 0 H SER A 95 14.966 -8.599 -28.217 1.00 0.00 H new ATOM 0 HA SER A 95 13.875 -9.002 -25.618 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.617 -10.984 -27.811 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.497 -11.268 -26.494 1.00 0.00 H new ATOM 0 HG SER A 95 13.204 -9.581 -28.767 1.00 0.00 H new ATOM 1343 N SER A 96 16.899 -10.124 -26.239 1.00 0.00 N ATOM 1344 CA SER A 96 18.130 -10.610 -25.621 1.00 0.00 C ATOM 1345 C SER A 96 18.499 -9.792 -24.383 1.00 0.00 C ATOM 1346 O SER A 96 18.771 -10.350 -23.317 1.00 0.00 O ATOM 1347 CB SER A 96 19.267 -10.561 -26.643 1.00 0.00 C ATOM 1348 OG SER A 96 19.044 -11.479 -27.702 1.00 0.00 O ATOM 0 H SER A 96 16.993 -9.894 -27.228 1.00 0.00 H new ATOM 0 HA SER A 96 17.968 -11.639 -25.299 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.355 -9.552 -27.045 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.212 -10.791 -26.151 1.00 0.00 H new ATOM 0 HG SER A 96 18.323 -11.147 -28.277 1.00 0.00 H new ATOM 1354 N ILE A 97 18.496 -8.470 -24.529 1.00 0.00 N ATOM 1355 CA ILE A 97 18.844 -7.580 -23.426 1.00 0.00 C ATOM 1356 C ILE A 97 17.889 -7.767 -22.252 1.00 0.00 C ATOM 1357 O ILE A 97 18.319 -7.954 -21.114 1.00 0.00 O ATOM 1358 CB ILE A 97 18.823 -6.102 -23.860 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.759 -5.885 -25.050 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.225 -5.207 -22.696 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.719 -4.479 -25.609 1.00 0.00 C ATOM 0 H ILE A 97 18.257 -7.992 -25.398 1.00 0.00 H new ATOM 0 HA ILE A 97 19.856 -7.842 -23.118 1.00 0.00 H new ATOM 0 HB ILE A 97 17.810 -5.841 -24.166 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.780 -6.116 -24.745 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.496 -6.588 -25.840 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.206 -4.165 -23.015 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.526 -5.347 -21.871 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.231 -5.468 -22.367 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.408 -4.402 -26.450 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.708 -4.250 -25.946 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.012 -3.771 -24.834 1.00 0.00 H new ATOM 1373 N ALA A 98 16.592 -7.743 -22.541 1.00 0.00 N ATOM 1374 CA ALA A 98 15.575 -7.839 -21.500 1.00 0.00 C ATOM 1375 C ALA A 98 15.636 -9.178 -20.775 1.00 0.00 C ATOM 1376 O ALA A 98 15.374 -9.251 -19.574 1.00 0.00 O ATOM 1377 CB ALA A 98 14.196 -7.624 -22.091 1.00 0.00 C ATOM 0 H ALA A 98 16.220 -7.658 -23.487 1.00 0.00 H new ATOM 0 HA ALA A 98 15.776 -7.057 -20.768 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.447 -7.698 -21.303 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.146 -6.635 -22.547 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.002 -8.383 -22.849 1.00 0.00 H new ATOM 1383 N SER A 99 15.997 -10.230 -21.497 1.00 0.00 N ATOM 1384 CA SER A 99 16.087 -11.550 -20.908 1.00 0.00 C ATOM 1385 C SER A 99 17.252 -11.579 -19.928 1.00 0.00 C ATOM 1386 O SER A 99 17.149 -12.127 -18.831 1.00 0.00 O ATOM 1387 CB SER A 99 16.264 -12.607 -22.003 1.00 0.00 C ATOM 1388 OG SER A 99 16.217 -13.917 -21.469 1.00 0.00 O ATOM 0 H SER A 99 16.231 -10.191 -22.489 1.00 0.00 H new ATOM 0 HA SER A 99 15.166 -11.778 -20.371 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.482 -12.490 -22.753 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.217 -12.453 -22.509 1.00 0.00 H new ATOM 0 HG SER A 99 16.331 -14.569 -22.192 1.00 0.00 H new ATOM 1394 N ALA A 100 18.349 -10.939 -20.320 1.00 0.00 N ATOM 1395 CA ALA A 100 19.527 -10.849 -19.474 1.00 0.00 C ATOM 1396 C ALA A 100 19.260 -9.950 -18.275 1.00 0.00 C ATOM 1397 O ALA A 100 19.726 -10.225 -17.174 1.00 0.00 O ATOM 1398 CB ALA A 100 20.720 -10.343 -20.273 1.00 0.00 C ATOM 0 H ALA A 100 18.444 -10.474 -21.223 1.00 0.00 H new ATOM 0 HA ALA A 100 19.762 -11.847 -19.104 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.593 -10.282 -19.624 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.926 -11.030 -21.094 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.496 -9.355 -20.674 1.00 0.00 H new ATOM 1404 N MET A 101 18.493 -8.885 -18.491 1.00 0.00 N ATOM 1405 CA MET A 101 18.151 -7.957 -17.429 1.00 0.00 C ATOM 1406 C MET A 101 17.271 -8.636 -16.382 1.00 0.00 C ATOM 1407 O MET A 101 17.542 -8.555 -15.184 1.00 0.00 O ATOM 1408 CB MET A 101 17.437 -6.745 -18.015 1.00 0.00 C ATOM 1409 CG MET A 101 18.372 -5.753 -18.692 1.00 0.00 C ATOM 1410 SD MET A 101 17.508 -4.663 -19.837 1.00 0.00 S ATOM 1411 CE MET A 101 16.039 -4.298 -18.893 1.00 0.00 C ATOM 0 H MET A 101 18.097 -8.646 -19.400 1.00 0.00 H new ATOM 0 HA MET A 101 19.069 -7.629 -16.941 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.697 -7.085 -18.739 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.894 -6.234 -17.220 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.872 -5.153 -17.932 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.148 -6.298 -19.230 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.557 -3.408 -19.299 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.351 -5.141 -18.950 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.310 -4.121 -17.852 1.00 0.00 H new ATOM 1421 N SER A 102 16.229 -9.320 -16.846 1.00 0.00 N ATOM 1422 CA SER A 102 15.315 -10.029 -15.958 1.00 0.00 C ATOM 1423 C SER A 102 16.060 -11.122 -15.187 1.00 0.00 C ATOM 1424 O SER A 102 15.928 -11.241 -13.965 1.00 0.00 O ATOM 1425 CB SER A 102 14.161 -10.628 -16.775 1.00 0.00 C ATOM 1426 OG SER A 102 13.247 -11.332 -15.953 1.00 0.00 O ATOM 0 H SER A 102 15.997 -9.398 -17.836 1.00 0.00 H new ATOM 0 HA SER A 102 14.904 -9.327 -15.233 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.637 -9.831 -17.303 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.562 -11.301 -17.532 1.00 0.00 H new ATOM 0 HG SER A 102 12.525 -11.698 -16.506 1.00 0.00 H new ATOM 1432 N ASN A 103 16.863 -11.898 -15.906 1.00 0.00 N ATOM 1433 CA ASN A 103 17.672 -12.953 -15.302 1.00 0.00 C ATOM 1434 C ASN A 103 18.675 -12.375 -14.306 1.00 0.00 C ATOM 1435 O ASN A 103 18.929 -12.971 -13.262 1.00 0.00 O ATOM 1436 CB ASN A 103 18.381 -13.755 -16.403 1.00 0.00 C ATOM 1437 CG ASN A 103 19.547 -14.585 -15.897 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.364 -15.673 -15.356 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.762 -14.096 -16.114 1.00 0.00 N ATOM 0 H ASN A 103 16.972 -11.816 -16.917 1.00 0.00 H new ATOM 0 HA ASN A 103 17.017 -13.625 -14.747 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.658 -14.415 -16.883 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.741 -13.066 -17.168 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.584 -14.628 -15.829 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.873 -13.189 -16.566 1.00 0.00 H new ATOM 1446 N ALA A 104 19.221 -11.203 -14.616 1.00 0.00 N ATOM 1447 CA ALA A 104 20.170 -10.540 -13.728 1.00 0.00 C ATOM 1448 C ALA A 104 19.510 -10.168 -12.404 1.00 0.00 C ATOM 1449 O ALA A 104 20.113 -10.314 -11.341 1.00 0.00 O ATOM 1450 CB ALA A 104 20.757 -9.308 -14.394 1.00 0.00 C ATOM 0 H ALA A 104 19.022 -10.692 -15.476 1.00 0.00 H new ATOM 0 HA ALA A 104 20.980 -11.239 -13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.462 -8.828 -13.715 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.275 -9.600 -15.308 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.956 -8.610 -14.638 1.00 0.00 H new ATOM 1456 N PHE A 105 18.271 -9.685 -12.471 1.00 0.00 N ATOM 1457 CA PHE A 105 17.489 -9.427 -11.265 1.00 0.00 C ATOM 1458 C PHE A 105 17.345 -10.705 -10.452 1.00 0.00 C ATOM 1459 O PHE A 105 17.513 -10.709 -9.231 1.00 0.00 O ATOM 1460 CB PHE A 105 16.097 -8.897 -11.615 1.00 0.00 C ATOM 1461 CG PHE A 105 16.050 -7.429 -11.934 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.318 -6.490 -10.951 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.724 -6.988 -13.207 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.263 -5.139 -11.229 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.669 -5.637 -13.494 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.938 -4.711 -12.504 1.00 0.00 C ATOM 0 H PHE A 105 17.789 -9.466 -13.343 1.00 0.00 H new ATOM 0 HA PHE A 105 18.016 -8.673 -10.680 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.715 -9.454 -12.470 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.426 -9.096 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.573 -6.819 -9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.511 -7.708 -13.983 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.473 -4.418 -10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.416 -5.306 -14.490 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.895 -3.655 -12.725 1.00 0.00 H new ATOM 1476 N LEU A 106 17.053 -11.789 -11.152 1.00 0.00 N ATOM 1477 CA LEU A 106 16.864 -13.089 -10.532 1.00 0.00 C ATOM 1478 C LEU A 106 18.152 -13.593 -9.882 1.00 0.00 C ATOM 1479 O LEU A 106 18.111 -14.279 -8.858 1.00 0.00 O ATOM 1480 CB LEU A 106 16.366 -14.084 -11.581 1.00 0.00 C ATOM 1481 CG LEU A 106 14.958 -13.808 -12.117 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.575 -14.834 -13.169 1.00 0.00 C ATOM 1483 CD2 LEU A 106 13.943 -13.801 -10.983 1.00 0.00 C ATOM 0 H LEU A 106 16.940 -11.792 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 106 16.120 -12.991 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 106 17.064 -14.086 -12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.384 -15.084 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 106 14.958 -12.823 -12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.572 -14.620 -13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.283 -14.788 -13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.596 -15.831 -12.729 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.949 -13.603 -11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.947 -14.771 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.205 -13.024 -10.265 1.00 0.00 H new ATOM 1495 N GLN A 107 19.291 -13.240 -10.467 1.00 0.00 N ATOM 1496 CA GLN A 107 20.584 -13.658 -9.932 1.00 0.00 C ATOM 1497 C GLN A 107 20.928 -12.880 -8.665 1.00 0.00 C ATOM 1498 O GLN A 107 21.551 -13.412 -7.748 1.00 0.00 O ATOM 1499 CB GLN A 107 21.711 -13.445 -10.953 1.00 0.00 C ATOM 1500 CG GLN A 107 21.529 -14.166 -12.281 1.00 0.00 C ATOM 1501 CD GLN A 107 21.124 -15.615 -12.122 1.00 0.00 C ATOM 1502 OE1 GLN A 107 21.969 -16.496 -11.958 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.833 -15.874 -12.217 1.00 0.00 N ATOM 0 H GLN A 107 19.347 -12.667 -11.309 1.00 0.00 H new ATOM 0 HA GLN A 107 20.500 -14.720 -9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.805 -12.377 -11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.650 -13.772 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.772 -13.646 -12.868 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.460 -14.116 -12.845 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.169 -15.112 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.500 -16.836 -12.155 1.00 0.00 H new ATOM 1512 N THR A 108 20.506 -11.626 -8.612 1.00 0.00 N ATOM 1513 CA THR A 108 20.924 -10.732 -7.544 1.00 0.00 C ATOM 1514 C THR A 108 19.908 -10.662 -6.409 1.00 0.00 C ATOM 1515 O THR A 108 20.157 -11.163 -5.311 1.00 0.00 O ATOM 1516 CB THR A 108 21.182 -9.317 -8.093 1.00 0.00 C ATOM 1517 OG1 THR A 108 20.123 -8.943 -8.983 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.510 -9.255 -8.827 1.00 0.00 C ATOM 0 H THR A 108 19.876 -11.205 -9.295 1.00 0.00 H new ATOM 0 HA THR A 108 21.848 -11.143 -7.137 1.00 0.00 H new ATOM 0 HB THR A 108 21.218 -8.623 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.248 -9.390 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.670 -8.245 -9.206 1.00 0.00 H new ATOM 0 HG22 THR A 108 23.317 -9.518 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.498 -9.957 -9.660 1.00 0.00 H new ATOM 1526 N THR A 109 18.768 -10.048 -6.673 1.00 0.00 N ATOM 1527 CA THR A 109 17.781 -9.795 -5.634 1.00 0.00 C ATOM 1528 C THR A 109 16.643 -10.814 -5.674 1.00 0.00 C ATOM 1529 O THR A 109 15.894 -10.955 -4.707 1.00 0.00 O ATOM 1530 CB THR A 109 17.219 -8.361 -5.754 1.00 0.00 C ATOM 1531 OG1 THR A 109 16.157 -8.152 -4.808 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.718 -8.093 -7.166 1.00 0.00 C ATOM 0 H THR A 109 18.501 -9.714 -7.599 1.00 0.00 H new ATOM 0 HA THR A 109 18.286 -9.898 -4.674 1.00 0.00 H new ATOM 0 HB THR A 109 18.028 -7.664 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.835 -9.018 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.327 -7.077 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.541 -8.208 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.927 -8.802 -7.412 1.00 0.00 H new ATOM 1540 N GLY A 110 16.503 -11.505 -6.796 1.00 0.00 N ATOM 1541 CA GLY A 110 15.496 -12.541 -6.909 1.00 0.00 C ATOM 1542 C GLY A 110 14.179 -12.026 -7.457 1.00 0.00 C ATOM 1543 O GLY A 110 13.323 -12.808 -7.870 1.00 0.00 O ATOM 0 H GLY A 110 17.070 -11.366 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.869 -13.334 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.327 -12.985 -5.928 1.00 0.00 H new ATOM 1547 N VAL A 111 14.013 -10.715 -7.461 1.00 0.00 N ATOM 1548 CA VAL A 111 12.789 -10.106 -7.958 1.00 0.00 C ATOM 1549 C VAL A 111 13.092 -9.278 -9.192 1.00 0.00 C ATOM 1550 O VAL A 111 14.108 -8.592 -9.252 1.00 0.00 O ATOM 1551 CB VAL A 111 12.111 -9.199 -6.910 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.681 -8.872 -7.322 1.00 0.00 C ATOM 1553 CG2 VAL A 111 12.146 -9.833 -5.527 1.00 0.00 C ATOM 0 H VAL A 111 14.710 -10.050 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 111 12.104 -10.920 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 111 12.673 -8.266 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.223 -8.232 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.688 -8.355 -8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 111 10.108 -9.795 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.661 -9.170 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.621 -10.788 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.181 -9.996 -5.227 1.00 0.00 H new ATOM 1563 N VAL A 112 12.209 -9.350 -10.164 1.00 0.00 N ATOM 1564 CA VAL A 112 12.399 -8.654 -11.427 1.00 0.00 C ATOM 1565 C VAL A 112 11.575 -7.370 -11.479 1.00 0.00 C ATOM 1566 O VAL A 112 10.422 -7.342 -11.041 1.00 0.00 O ATOM 1567 CB VAL A 112 12.004 -9.549 -12.623 1.00 0.00 C ATOM 1568 CG1 VAL A 112 12.228 -8.831 -13.945 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.775 -10.857 -12.594 1.00 0.00 C ATOM 0 H VAL A 112 11.344 -9.887 -10.107 1.00 0.00 H new ATOM 0 HA VAL A 112 13.458 -8.406 -11.496 1.00 0.00 H new ATOM 0 HB VAL A 112 10.941 -9.771 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.941 -9.486 -14.768 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.623 -7.925 -13.974 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.281 -8.567 -14.042 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.481 -11.472 -13.445 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.844 -10.651 -12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.554 -11.389 -11.669 1.00 0.00 H new ATOM 1579 N ASN A 113 12.175 -6.311 -12.005 1.00 0.00 N ATOM 1580 CA ASN A 113 11.452 -5.074 -12.256 1.00 0.00 C ATOM 1581 C ASN A 113 10.753 -5.164 -13.603 1.00 0.00 C ATOM 1582 O ASN A 113 11.404 -5.180 -14.643 1.00 0.00 O ATOM 1583 CB ASN A 113 12.393 -3.871 -12.252 1.00 0.00 C ATOM 1584 CG ASN A 113 11.652 -2.572 -12.509 1.00 0.00 C ATOM 1585 OD1 ASN A 113 11.408 -2.196 -13.654 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.303 -1.867 -11.445 1.00 0.00 N ATOM 0 H ASN A 113 13.161 -6.285 -12.266 1.00 0.00 H new ATOM 0 HA ASN A 113 10.720 -4.937 -11.460 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.904 -3.813 -11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.161 -4.008 -13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.814 -0.979 -11.559 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.523 -2.212 -10.510 1.00 0.00 H new ATOM 1593 N GLN A 114 9.437 -5.238 -13.581 1.00 0.00 N ATOM 1594 CA GLN A 114 8.666 -5.386 -14.808 1.00 0.00 C ATOM 1595 C GLN A 114 8.497 -4.054 -15.563 1.00 0.00 C ATOM 1596 O GLN A 114 8.784 -3.996 -16.760 1.00 0.00 O ATOM 1597 CB GLN A 114 7.299 -6.006 -14.501 1.00 0.00 C ATOM 1598 CG GLN A 114 6.502 -6.382 -15.742 1.00 0.00 C ATOM 1599 CD GLN A 114 7.231 -7.381 -16.623 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.119 -8.590 -16.433 1.00 0.00 O ATOM 1601 NE2 GLN A 114 7.977 -6.882 -17.597 1.00 0.00 N ATOM 0 H GLN A 114 8.876 -5.199 -12.730 1.00 0.00 H new ATOM 0 HA GLN A 114 9.227 -6.052 -15.464 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.444 -6.897 -13.890 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.717 -5.302 -13.906 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.543 -6.802 -15.440 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.289 -5.482 -16.319 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.044 -5.872 -17.722 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.485 -7.508 -18.222 1.00 0.00 H new ATOM 1610 N PRO A 115 8.032 -2.968 -14.891 1.00 0.00 N ATOM 1611 CA PRO A 115 7.697 -1.695 -15.555 1.00 0.00 C ATOM 1612 C PRO A 115 8.795 -1.151 -16.473 1.00 0.00 C ATOM 1613 O PRO A 115 8.543 -0.876 -17.645 1.00 0.00 O ATOM 1614 CB PRO A 115 7.452 -0.718 -14.392 1.00 0.00 C ATOM 1615 CG PRO A 115 7.946 -1.414 -13.170 1.00 0.00 C ATOM 1616 CD PRO A 115 7.784 -2.878 -13.442 1.00 0.00 C ATOM 0 HA PRO A 115 6.841 -1.833 -16.216 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.984 0.220 -14.550 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.394 -0.473 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.989 -1.166 -12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 115 7.375 -1.114 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.494 -3.477 -12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.787 -3.231 -13.179 1.00 0.00 H new ATOM 1624 N PHE A 116 10.011 -1.021 -15.955 1.00 0.00 N ATOM 1625 CA PHE A 116 11.069 -0.339 -16.690 1.00 0.00 C ATOM 1626 C PHE A 116 11.599 -1.197 -17.826 1.00 0.00 C ATOM 1627 O PHE A 116 12.063 -0.674 -18.840 1.00 0.00 O ATOM 1628 CB PHE A 116 12.209 0.072 -15.755 1.00 0.00 C ATOM 1629 CG PHE A 116 11.814 1.124 -14.752 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.492 2.407 -15.165 1.00 0.00 C ATOM 1631 CD2 PHE A 116 11.763 0.832 -13.399 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.128 3.377 -14.250 1.00 0.00 C ATOM 1633 CE2 PHE A 116 11.401 1.798 -12.478 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.081 3.071 -12.904 1.00 0.00 C ATOM 0 H PHE A 116 10.287 -1.375 -15.039 1.00 0.00 H new ATOM 0 HA PHE A 116 10.635 0.562 -17.123 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.568 -0.809 -15.223 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.041 0.445 -16.352 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.526 2.652 -16.216 1.00 0.00 H new ATOM 0 HD2 PHE A 116 12.009 -0.163 -13.059 1.00 0.00 H new ATOM 0 HE1 PHE A 116 10.881 4.373 -14.587 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.369 1.556 -11.426 1.00 0.00 H new ATOM 0 HZ PHE A 116 10.795 3.826 -12.187 1.00 0.00 H new ATOM 1644 N ILE A 117 11.519 -2.514 -17.675 1.00 0.00 N ATOM 1645 CA ILE A 117 11.955 -3.404 -18.739 1.00 0.00 C ATOM 1646 C ILE A 117 11.065 -3.224 -19.968 1.00 0.00 C ATOM 1647 O ILE A 117 11.523 -3.353 -21.106 1.00 0.00 O ATOM 1648 CB ILE A 117 11.970 -4.892 -18.304 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.045 -5.115 -17.233 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.212 -5.804 -19.501 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.323 -6.577 -16.919 1.00 0.00 C ATOM 0 H ILE A 117 11.163 -2.981 -16.841 1.00 0.00 H new ATOM 0 HA ILE A 117 12.982 -3.133 -18.984 1.00 0.00 H new ATOM 0 HB ILE A 117 10.996 -5.140 -17.883 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.971 -4.644 -17.561 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.738 -4.611 -16.317 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.218 -6.843 -19.171 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.418 -5.661 -20.234 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.173 -5.561 -19.955 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.095 -6.644 -16.152 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.411 -7.051 -16.558 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.663 -7.085 -17.822 1.00 0.00 H new ATOM 1663 N ASN A 118 9.803 -2.882 -19.729 1.00 0.00 N ATOM 1664 CA ASN A 118 8.847 -2.647 -20.809 1.00 0.00 C ATOM 1665 C ASN A 118 9.180 -1.361 -21.554 1.00 0.00 C ATOM 1666 O ASN A 118 8.712 -1.136 -22.669 1.00 0.00 O ATOM 1667 CB ASN A 118 7.417 -2.542 -20.265 1.00 0.00 C ATOM 1668 CG ASN A 118 6.961 -3.774 -19.511 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.415 -4.888 -19.775 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.057 -3.580 -18.564 1.00 0.00 N ATOM 0 H ASN A 118 9.416 -2.761 -18.793 1.00 0.00 H new ATOM 0 HA ASN A 118 8.914 -3.495 -21.491 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.351 -1.677 -19.604 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.734 -2.361 -21.095 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.710 -4.370 -18.021 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.707 -2.640 -18.378 1.00 0.00 H new ATOM 1677 N GLU A 119 9.977 -0.510 -20.926 1.00 0.00 N ATOM 1678 CA GLU A 119 10.315 0.779 -21.503 1.00 0.00 C ATOM 1679 C GLU A 119 11.652 0.720 -22.229 1.00 0.00 C ATOM 1680 O GLU A 119 11.737 1.083 -23.403 1.00 0.00 O ATOM 1681 CB GLU A 119 10.346 1.851 -20.415 1.00 0.00 C ATOM 1682 CG GLU A 119 9.108 1.840 -19.533 1.00 0.00 C ATOM 1683 CD GLU A 119 8.979 3.083 -18.682 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.570 3.129 -17.589 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.281 4.024 -19.116 1.00 0.00 O ATOM 0 H GLU A 119 10.401 -0.690 -20.016 1.00 0.00 H new ATOM 0 HA GLU A 119 9.548 1.038 -22.232 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.229 1.704 -19.793 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.444 2.831 -20.882 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.222 1.742 -20.161 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.138 0.964 -18.885 1.00 0.00 H new ATOM 1692 N ILE A 120 12.686 0.248 -21.531 1.00 0.00 N ATOM 1693 CA ILE A 120 14.029 0.138 -22.109 1.00 0.00 C ATOM 1694 C ILE A 120 13.999 -0.567 -23.465 1.00 0.00 C ATOM 1695 O ILE A 120 14.577 -0.082 -24.433 1.00 0.00 O ATOM 1696 CB ILE A 120 15.007 -0.602 -21.150 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.646 0.372 -20.152 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.100 -1.337 -21.919 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.683 0.992 -19.166 1.00 0.00 C ATOM 0 H ILE A 120 12.620 -0.065 -20.563 1.00 0.00 H new ATOM 0 HA ILE A 120 14.392 1.155 -22.254 1.00 0.00 H new ATOM 0 HB ILE A 120 14.417 -1.336 -20.601 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.422 -0.155 -19.598 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.138 1.170 -20.709 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.763 -1.841 -21.216 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.646 -2.074 -22.582 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.673 -0.622 -22.509 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.225 1.665 -18.502 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.920 1.552 -19.706 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.209 0.207 -18.578 1.00 0.00 H new ATOM 1711 N THR A 121 13.298 -1.693 -23.532 1.00 0.00 N ATOM 1712 CA THR A 121 13.227 -2.491 -24.750 1.00 0.00 C ATOM 1713 C THR A 121 12.725 -1.683 -25.945 1.00 0.00 C ATOM 1714 O THR A 121 13.335 -1.699 -27.018 1.00 0.00 O ATOM 1715 CB THR A 121 12.313 -3.706 -24.537 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.189 -3.321 -23.736 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.066 -4.838 -23.861 1.00 0.00 C ATOM 0 H THR A 121 12.767 -2.076 -22.750 1.00 0.00 H new ATOM 0 HA THR A 121 14.242 -2.821 -24.972 1.00 0.00 H new ATOM 0 HB THR A 121 11.968 -4.059 -25.509 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.325 -3.624 -22.814 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.397 -5.687 -23.721 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.908 -5.138 -24.485 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.434 -4.502 -22.891 1.00 0.00 H new ATOM 1725 N GLN A 122 11.628 -0.966 -25.750 1.00 0.00 N ATOM 1726 CA GLN A 122 11.032 -0.180 -26.821 1.00 0.00 C ATOM 1727 C GLN A 122 11.933 0.997 -27.185 1.00 0.00 C ATOM 1728 O GLN A 122 12.033 1.380 -28.352 1.00 0.00 O ATOM 1729 CB GLN A 122 9.643 0.316 -26.409 1.00 0.00 C ATOM 1730 CG GLN A 122 8.697 -0.800 -25.976 1.00 0.00 C ATOM 1731 CD GLN A 122 8.342 -1.770 -27.094 1.00 0.00 C ATOM 1732 OE1 GLN A 122 9.116 -1.994 -28.025 1.00 0.00 O ATOM 1733 NE2 GLN A 122 7.159 -2.361 -27.006 1.00 0.00 N ATOM 0 H GLN A 122 11.132 -0.912 -24.860 1.00 0.00 H new ATOM 0 HA GLN A 122 10.926 -0.817 -27.699 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.749 1.028 -25.591 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.197 0.855 -27.245 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.155 -1.355 -25.157 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.780 -0.357 -25.587 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.542 -2.153 -26.221 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.866 -3.024 -27.723 1.00 0.00 H new ATOM 1742 N LEU A 123 12.605 1.550 -26.182 1.00 0.00 N ATOM 1743 CA LEU A 123 13.533 2.650 -26.399 1.00 0.00 C ATOM 1744 C LEU A 123 14.736 2.183 -27.206 1.00 0.00 C ATOM 1745 O LEU A 123 15.142 2.856 -28.149 1.00 0.00 O ATOM 1746 CB LEU A 123 13.984 3.252 -25.067 1.00 0.00 C ATOM 1747 CG LEU A 123 12.878 3.883 -24.215 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.452 4.416 -22.912 1.00 0.00 C ATOM 1749 CD2 LEU A 123 12.178 4.997 -24.979 1.00 0.00 C ATOM 0 H LEU A 123 12.523 1.253 -25.210 1.00 0.00 H new ATOM 0 HA LEU A 123 13.015 3.424 -26.965 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.467 2.470 -24.481 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.739 4.011 -25.270 1.00 0.00 H new ATOM 0 HG LEU A 123 12.143 3.112 -23.984 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.654 4.861 -22.318 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.907 3.598 -22.353 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.207 5.171 -23.129 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.397 5.431 -24.355 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.902 5.768 -25.242 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.733 4.591 -25.888 1.00 0.00 H new ATOM 1761 N VAL A 124 15.295 1.024 -26.848 1.00 0.00 N ATOM 1762 CA VAL A 124 16.415 0.453 -27.597 1.00 0.00 C ATOM 1763 C VAL A 124 16.058 0.347 -29.072 1.00 0.00 C ATOM 1764 O VAL A 124 16.784 0.833 -29.935 1.00 0.00 O ATOM 1765 CB VAL A 124 16.805 -0.957 -27.095 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.946 -1.528 -27.928 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.195 -0.924 -25.627 1.00 0.00 C ATOM 0 H VAL A 124 14.992 0.466 -26.049 1.00 0.00 H new ATOM 0 HA VAL A 124 17.262 1.122 -27.446 1.00 0.00 H new ATOM 0 HB VAL A 124 15.934 -1.603 -27.205 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.205 -2.520 -27.559 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.636 -1.599 -28.970 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.815 -0.874 -27.852 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.465 -1.928 -25.300 1.00 0.00 H new ATOM 0 HG22 VAL A 124 18.047 -0.257 -25.492 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.354 -0.563 -25.035 1.00 0.00 H new ATOM 1777 N SER A 125 14.919 -0.278 -29.335 1.00 0.00 N ATOM 1778 CA SER A 125 14.442 -0.482 -30.692 1.00 0.00 C ATOM 1779 C SER A 125 14.282 0.849 -31.433 1.00 0.00 C ATOM 1780 O SER A 125 14.823 1.031 -32.524 1.00 0.00 O ATOM 1781 CB SER A 125 13.113 -1.241 -30.659 1.00 0.00 C ATOM 1782 OG SER A 125 12.644 -1.524 -31.968 1.00 0.00 O ATOM 0 H SER A 125 14.303 -0.656 -28.615 1.00 0.00 H new ATOM 0 HA SER A 125 15.182 -1.072 -31.234 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.238 -2.172 -30.107 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.369 -0.651 -30.124 1.00 0.00 H new ATOM 0 HG SER A 125 11.795 -2.010 -31.913 1.00 0.00 H new ATOM 1788 N MET A 126 13.556 1.779 -30.822 1.00 0.00 N ATOM 1789 CA MET A 126 13.273 3.066 -31.444 1.00 0.00 C ATOM 1790 C MET A 126 14.548 3.882 -31.662 1.00 0.00 C ATOM 1791 O MET A 126 14.773 4.413 -32.750 1.00 0.00 O ATOM 1792 CB MET A 126 12.290 3.857 -30.577 1.00 0.00 C ATOM 1793 CG MET A 126 11.985 5.242 -31.118 1.00 0.00 C ATOM 1794 SD MET A 126 10.844 6.167 -30.075 1.00 0.00 S ATOM 1795 CE MET A 126 11.789 6.266 -28.559 1.00 0.00 C ATOM 0 H MET A 126 13.152 1.664 -29.893 1.00 0.00 H new ATOM 0 HA MET A 126 12.830 2.874 -32.421 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.360 3.296 -30.492 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.699 3.950 -29.571 1.00 0.00 H new ATOM 0 HG2 MET A 126 12.915 5.802 -31.215 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.562 5.151 -32.118 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.431 7.104 -27.961 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.670 5.341 -27.995 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.843 6.414 -28.796 1.00 0.00 H new ATOM 1805 N PHE A 127 15.382 3.970 -30.632 1.00 0.00 N ATOM 1806 CA PHE A 127 16.585 4.796 -30.689 1.00 0.00 C ATOM 1807 C PHE A 127 17.608 4.235 -31.673 1.00 0.00 C ATOM 1808 O PHE A 127 18.270 4.992 -32.384 1.00 0.00 O ATOM 1809 CB PHE A 127 17.212 4.938 -29.295 1.00 0.00 C ATOM 1810 CG PHE A 127 16.451 5.844 -28.363 1.00 0.00 C ATOM 1811 CD1 PHE A 127 15.874 7.020 -28.821 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.317 5.516 -27.022 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.180 7.848 -27.960 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.626 6.341 -26.157 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.055 7.509 -26.626 1.00 0.00 C ATOM 0 H PHE A 127 15.248 3.480 -29.747 1.00 0.00 H new ATOM 0 HA PHE A 127 16.286 5.782 -31.044 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.288 3.950 -28.841 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.228 5.318 -29.403 1.00 0.00 H new ATOM 0 HD1 PHE A 127 15.969 7.291 -29.862 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.759 4.604 -26.650 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.735 8.760 -28.329 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.532 6.074 -25.115 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.513 8.155 -25.952 1.00 0.00 H new ATOM 1825 N ALA A 128 17.724 2.914 -31.725 1.00 0.00 N ATOM 1826 CA ALA A 128 18.697 2.264 -32.599 1.00 0.00 C ATOM 1827 C ALA A 128 18.412 2.558 -34.065 1.00 0.00 C ATOM 1828 O ALA A 128 19.322 2.866 -34.837 1.00 0.00 O ATOM 1829 CB ALA A 128 18.704 0.762 -32.361 1.00 0.00 C ATOM 0 H ALA A 128 17.157 2.270 -31.173 1.00 0.00 H new ATOM 0 HA ALA A 128 19.680 2.669 -32.358 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.434 0.293 -33.020 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.969 0.559 -31.323 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.714 0.356 -32.569 1.00 0.00 H new ATOM 1835 N GLN A 129 17.142 2.485 -34.441 1.00 0.00 N ATOM 1836 CA GLN A 129 16.740 2.670 -35.832 1.00 0.00 C ATOM 1837 C GLN A 129 17.030 4.087 -36.320 1.00 0.00 C ATOM 1838 O GLN A 129 17.213 4.313 -37.518 1.00 0.00 O ATOM 1839 CB GLN A 129 15.252 2.366 -35.995 1.00 0.00 C ATOM 1840 CG GLN A 129 14.892 0.920 -35.695 1.00 0.00 C ATOM 1841 CD GLN A 129 13.402 0.659 -35.771 1.00 0.00 C ATOM 1842 OE1 GLN A 129 12.684 1.307 -36.531 1.00 0.00 O ATOM 1843 NE2 GLN A 129 12.927 -0.293 -34.983 1.00 0.00 N ATOM 0 H GLN A 129 16.370 2.299 -33.801 1.00 0.00 H new ATOM 0 HA GLN A 129 17.325 1.977 -36.437 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.681 3.019 -35.334 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.951 2.603 -37.015 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.407 0.268 -36.401 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.252 0.660 -34.700 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.557 -0.807 -34.367 1.00 0.00 H new ATOM 0 HE22 GLN A 129 11.931 -0.512 -34.992 1.00 0.00 H new