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 121 THR OG1 : rot -82:sc= 1.28 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.0903 X(o=1.4,f=1.1) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.162 X(o=-0.26,f=-0.22) USER MOD Set 2.2: A 118 ASN : amide:sc= -0.0969 K(o=-0.26,f=-0.77) USER MOD Set 3.1: A 103 ASN : amide:sc= 0.794 K(o=1.6,f=-1.8) USER MOD Set 3.2: A 107 GLN : amide:sc= 0.839 K(o=1.6,f=-0.66) USER MOD Set 4.1: A 89 SER OG : rot 161:sc= 0.393 USER MOD Set 4.2: A 91 SER OG : rot 9:sc= -0.0893 USER MOD Set 4.3: A 92 THR OG1 : rot 180:sc= -0.296 USER MOD Set 5.1: A 30 MET CE :methyl 177:sc= -0.761 (180deg=-0.772) USER MOD Set 5.2: A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.327 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.28! C(o=-1.3!,f=-12!) USER MOD Single : A 18 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : A 20 MET CE :methyl -148:sc= -0.702 (180deg=-5.41!) USER MOD Single : A 21 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 22 SER OG : rot 90:sc= -0.899 USER MOD Single : A 24 MET CE :methyl 176:sc= -1.02 (180deg=-1.08) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 29 SER OG : rot -46:sc= 0.182 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 41 MET CE :methyl -159:sc= -0.218 (180deg=-0.896) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 81:sc= 0.161 USER MOD Single : A 46 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 137:sc= -0.369 (180deg=-1.31!) USER MOD Single : A 50 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.33) USER MOD Single : A 51 SER OG : rot 62:sc= 0.196 USER MOD Single : A 53 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.6) 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 -150:sc= -0.135 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.218 F(o=-1.2,f=-0.22) USER MOD Single : A 70 ASN : amide:sc= 0.168 X(o=0.17,f=-0.21) USER MOD Single : A 71 MET CE :methyl -169:sc= -0.344 (180deg=-0.478) USER MOD Single : A 75 SER OG : rot -3:sc= 0.886 USER MOD Single : A 76 SER OG : rot -53:sc= 1.14 USER MOD Single : A 77 MET CE :methyl 166:sc= -0.827 (180deg=-1.27) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 2.46 (180deg=0.782) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00441 USER MOD Single : A 95 SER OG : rot 85:sc= 1.16 USER MOD Single : A 96 SER OG : rot -88:sc= 1.27 USER MOD Single : A 101 MET CE :methyl -169:sc= -2.19 (180deg=-2.22!) USER MOD Single : A 102 SER OG : rot 180:sc= -0.193 USER MOD Single : A 108 THR OG1 : rot -76:sc= -0.563 USER MOD Single : A 109 THR OG1 : rot -30:sc= 0.831 USER MOD Single : A 113 ASN : amide:sc= -0.677 K(o=-0.68,f=-7.2!) USER MOD Single : A 125 SER OG : rot 82:sc= -2.2! USER MOD Single : A 126 MET CE :methyl 165:sc= -0.185 (180deg=-0.63) USER MOD Single : A 129 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.600 -0.632 -6.855 1.00 0.00 N ATOM 82 CA THR A 8 15.273 -0.295 -8.098 1.00 0.00 C ATOM 83 C THR A 8 16.734 -0.726 -7.995 1.00 0.00 C ATOM 84 O THR A 8 17.356 -0.556 -6.948 1.00 0.00 O ATOM 85 CB THR A 8 15.203 1.225 -8.378 1.00 0.00 C ATOM 86 OG1 THR A 8 13.908 1.735 -8.036 1.00 0.00 O ATOM 87 CG2 THR A 8 15.484 1.538 -9.839 1.00 0.00 C ATOM 0 HA THR A 8 14.777 -0.813 -8.919 1.00 0.00 H new ATOM 0 HB THR A 8 15.967 1.702 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.556 1.244 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.426 2.615 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.482 1.186 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.746 1.038 -10.467 1.00 0.00 H new ATOM 95 N PRO A 9 17.300 -1.296 -9.067 1.00 0.00 N ATOM 96 CA PRO A 9 18.691 -1.768 -9.077 1.00 0.00 C ATOM 97 C PRO A 9 19.690 -0.636 -8.834 1.00 0.00 C ATOM 98 O PRO A 9 20.835 -0.872 -8.459 1.00 0.00 O ATOM 99 CB PRO A 9 18.872 -2.348 -10.488 1.00 0.00 C ATOM 100 CG PRO A 9 17.774 -1.746 -11.300 1.00 0.00 C ATOM 101 CD PRO A 9 16.631 -1.531 -10.351 1.00 0.00 C ATOM 0 HA PRO A 9 18.877 -2.490 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.850 -2.093 -10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.804 -3.436 -10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.091 -0.805 -11.749 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.485 -2.407 -12.117 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.017 -0.680 -10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.974 -2.399 -10.309 1.00 0.00 H new ATOM 109 N TRP A 10 19.228 0.595 -9.016 1.00 0.00 N ATOM 110 CA TRP A 10 20.090 1.763 -8.908 1.00 0.00 C ATOM 111 C TRP A 10 20.116 2.292 -7.475 1.00 0.00 C ATOM 112 O TRP A 10 20.728 3.322 -7.200 1.00 0.00 O ATOM 113 CB TRP A 10 19.606 2.874 -9.849 1.00 0.00 C ATOM 114 CG TRP A 10 19.290 2.423 -11.252 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.235 2.839 -12.011 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.014 1.479 -12.063 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.256 2.220 -13.236 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.337 1.383 -13.294 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.166 0.710 -11.873 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.773 0.552 -14.325 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.596 -0.114 -12.896 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.901 -0.186 -14.109 1.00 0.00 C ATOM 0 H TRP A 10 18.256 0.810 -9.240 1.00 0.00 H new ATOM 0 HA TRP A 10 21.098 1.460 -9.191 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.714 3.331 -9.420 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.370 3.650 -9.896 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.490 3.553 -11.693 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.576 2.361 -13.983 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.711 0.759 -10.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.238 0.494 -15.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.484 -0.713 -12.757 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.264 -0.838 -14.889 1.00 0.00 H new ATOM 133 N THR A 11 19.446 1.590 -6.563 1.00 0.00 N ATOM 134 CA THR A 11 19.390 2.019 -5.171 1.00 0.00 C ATOM 135 C THR A 11 20.740 1.813 -4.489 1.00 0.00 C ATOM 136 O THR A 11 21.080 2.508 -3.532 1.00 0.00 O ATOM 137 CB THR A 11 18.289 1.271 -4.384 1.00 0.00 C ATOM 138 OG1 THR A 11 18.088 1.888 -3.107 1.00 0.00 O ATOM 139 CG2 THR A 11 18.641 -0.200 -4.183 1.00 0.00 C ATOM 0 H THR A 11 18.938 0.728 -6.763 1.00 0.00 H new ATOM 0 HA THR A 11 19.145 3.081 -5.172 1.00 0.00 H new ATOM 0 HB THR A 11 17.373 1.328 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.388 1.407 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.844 -0.692 -3.626 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.757 -0.682 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.574 -0.278 -3.625 1.00 0.00 H new ATOM 147 N ASN A 12 21.495 0.846 -4.987 1.00 0.00 N ATOM 148 CA ASN A 12 22.835 0.586 -4.489 1.00 0.00 C ATOM 149 C ASN A 12 23.774 0.328 -5.646 1.00 0.00 C ATOM 150 O ASN A 12 23.491 -0.479 -6.530 1.00 0.00 O ATOM 151 CB ASN A 12 22.829 -0.588 -3.502 1.00 0.00 C ATOM 152 CG ASN A 12 24.200 -1.188 -3.198 1.00 0.00 C ATOM 153 OD1 ASN A 12 25.216 -0.503 -3.177 1.00 0.00 O ATOM 154 ND2 ASN A 12 24.232 -2.488 -2.947 1.00 0.00 N ATOM 0 H ASN A 12 21.199 0.225 -5.740 1.00 0.00 H new ATOM 0 HA ASN A 12 23.189 1.465 -3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.381 -0.253 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.186 -1.373 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 12 25.118 -2.944 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.370 -3.033 -2.971 1.00 0.00 H new ATOM 161 N PRO A 13 24.900 1.031 -5.641 1.00 0.00 N ATOM 162 CA PRO A 13 25.915 0.923 -6.683 1.00 0.00 C ATOM 163 C PRO A 13 26.460 -0.495 -6.798 1.00 0.00 C ATOM 164 O PRO A 13 26.854 -0.937 -7.878 1.00 0.00 O ATOM 165 CB PRO A 13 27.013 1.889 -6.235 1.00 0.00 C ATOM 166 CG PRO A 13 26.719 2.229 -4.811 1.00 0.00 C ATOM 167 CD PRO A 13 25.261 1.982 -4.586 1.00 0.00 C ATOM 0 HA PRO A 13 25.514 1.161 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.997 1.430 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.019 2.785 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.320 1.618 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.969 3.270 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.074 1.570 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.683 2.903 -4.663 1.00 0.00 H new ATOM 175 N GLY A 14 26.470 -1.204 -5.674 1.00 0.00 N ATOM 176 CA GLY A 14 26.864 -2.596 -5.672 1.00 0.00 C ATOM 177 C GLY A 14 25.878 -3.452 -6.434 1.00 0.00 C ATOM 178 O GLY A 14 26.265 -4.343 -7.191 1.00 0.00 O ATOM 0 H GLY A 14 26.210 -0.834 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.854 -2.696 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.939 -2.953 -4.645 1.00 0.00 H new ATOM 182 N LEU A 15 24.598 -3.145 -6.260 1.00 0.00 N ATOM 183 CA LEU A 15 23.535 -3.884 -6.930 1.00 0.00 C ATOM 184 C LEU A 15 23.547 -3.561 -8.414 1.00 0.00 C ATOM 185 O LEU A 15 23.348 -4.439 -9.254 1.00 0.00 O ATOM 186 CB LEU A 15 22.164 -3.548 -6.323 1.00 0.00 C ATOM 187 CG LEU A 15 20.966 -4.266 -6.964 1.00 0.00 C ATOM 188 CD1 LEU A 15 21.176 -5.773 -6.981 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.679 -3.921 -6.229 1.00 0.00 C ATOM 0 H LEU A 15 24.271 -2.388 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 15 23.711 -4.951 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.186 -3.792 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.005 -2.472 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 15 20.883 -3.922 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.313 -6.255 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.072 -6.009 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.294 -6.135 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.842 -4.439 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.760 -4.232 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.511 -2.845 -6.275 1.00 0.00 H new ATOM 201 N ALA A 16 23.798 -2.295 -8.724 1.00 0.00 N ATOM 202 CA ALA A 16 23.925 -1.851 -10.101 1.00 0.00 C ATOM 203 C ALA A 16 25.021 -2.632 -10.812 1.00 0.00 C ATOM 204 O ALA A 16 24.794 -3.214 -11.870 1.00 0.00 O ATOM 205 CB ALA A 16 24.218 -0.359 -10.149 1.00 0.00 C ATOM 0 H ALA A 16 23.918 -1.555 -8.032 1.00 0.00 H new ATOM 0 HA ALA A 16 22.982 -2.036 -10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.311 -0.040 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.404 0.187 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.150 -0.154 -9.622 1.00 0.00 H new ATOM 211 N GLU A 17 26.204 -2.666 -10.203 1.00 0.00 N ATOM 212 CA GLU A 17 27.343 -3.377 -10.775 1.00 0.00 C ATOM 213 C GLU A 17 27.018 -4.859 -10.955 1.00 0.00 C ATOM 214 O GLU A 17 27.272 -5.435 -12.017 1.00 0.00 O ATOM 215 CB GLU A 17 28.579 -3.213 -9.887 1.00 0.00 C ATOM 216 CG GLU A 17 29.849 -3.768 -10.505 1.00 0.00 C ATOM 217 CD GLU A 17 31.064 -3.556 -9.629 1.00 0.00 C ATOM 218 OE1 GLU A 17 31.712 -2.495 -9.754 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.377 -4.449 -8.814 1.00 0.00 O ATOM 0 H GLU A 17 26.398 -2.209 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 17 27.556 -2.947 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.723 -2.154 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.400 -3.712 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.722 -4.834 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.016 -3.293 -11.472 1.00 0.00 H new ATOM 226 N ASN A 18 26.442 -5.462 -9.919 1.00 0.00 N ATOM 227 CA ASN A 18 26.022 -6.860 -9.964 1.00 0.00 C ATOM 228 C ASN A 18 25.052 -7.114 -11.113 1.00 0.00 C ATOM 229 O ASN A 18 25.176 -8.104 -11.837 1.00 0.00 O ATOM 230 CB ASN A 18 25.358 -7.246 -8.642 1.00 0.00 C ATOM 231 CG ASN A 18 26.302 -7.960 -7.699 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.164 -8.727 -8.125 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.147 -7.714 -6.410 1.00 0.00 N ATOM 0 H ASN A 18 26.254 -4.999 -9.030 1.00 0.00 H new ATOM 0 HA ASN A 18 26.910 -7.471 -10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.977 -6.348 -8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.500 -7.887 -8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.755 -8.167 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.420 -7.071 -6.097 1.00 0.00 H new ATOM 240 N PHE A 19 24.093 -6.209 -11.272 1.00 0.00 N ATOM 241 CA PHE A 19 23.058 -6.338 -12.293 1.00 0.00 C ATOM 242 C PHE A 19 23.671 -6.389 -13.689 1.00 0.00 C ATOM 243 O PHE A 19 23.350 -7.274 -14.482 1.00 0.00 O ATOM 244 CB PHE A 19 22.070 -5.172 -12.180 1.00 0.00 C ATOM 245 CG PHE A 19 20.892 -5.272 -13.109 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.998 -6.323 -12.997 1.00 0.00 C ATOM 247 CD2 PHE A 19 20.672 -4.310 -14.084 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.908 -6.413 -13.838 1.00 0.00 C ATOM 249 CE2 PHE A 19 19.582 -4.398 -14.929 1.00 0.00 C ATOM 250 CZ PHE A 19 18.700 -5.451 -14.804 1.00 0.00 C ATOM 0 H PHE A 19 24.010 -5.369 -10.700 1.00 0.00 H new ATOM 0 HA PHE A 19 22.523 -7.274 -12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.706 -5.117 -11.154 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.599 -4.241 -12.381 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.155 -7.080 -12.243 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.360 -3.483 -14.184 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.217 -7.237 -13.740 1.00 0.00 H new ATOM 0 HE2 PHE A 19 19.421 -3.644 -15.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.847 -5.522 -15.462 1.00 0.00 H new ATOM 260 N MET A 20 24.573 -5.457 -13.969 1.00 0.00 N ATOM 261 CA MET A 20 25.203 -5.379 -15.285 1.00 0.00 C ATOM 262 C MET A 20 26.110 -6.583 -15.509 1.00 0.00 C ATOM 263 O MET A 20 26.168 -7.134 -16.607 1.00 0.00 O ATOM 264 CB MET A 20 26.024 -4.091 -15.430 1.00 0.00 C ATOM 265 CG MET A 20 25.435 -2.889 -14.709 1.00 0.00 C ATOM 266 SD MET A 20 23.767 -2.464 -15.245 1.00 0.00 S ATOM 267 CE MET A 20 24.113 -1.232 -16.496 1.00 0.00 C ATOM 0 H MET A 20 24.885 -4.746 -13.307 1.00 0.00 H new ATOM 0 HA MET A 20 24.410 -5.375 -16.033 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.030 -4.271 -15.050 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.121 -3.853 -16.489 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.422 -3.090 -13.638 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.087 -2.029 -14.864 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.307 -0.498 -16.517 1.00 0.00 H new ATOM 0 HE2 MET A 20 25.053 -0.732 -16.264 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.190 -1.714 -17.470 1.00 0.00 H new ATOM 277 N ASN A 21 26.812 -6.988 -14.456 1.00 0.00 N ATOM 278 CA ASN A 21 27.691 -8.146 -14.516 1.00 0.00 C ATOM 279 C ASN A 21 26.911 -9.400 -14.879 1.00 0.00 C ATOM 280 O ASN A 21 27.309 -10.158 -15.763 1.00 0.00 O ATOM 281 CB ASN A 21 28.391 -8.342 -13.173 1.00 0.00 C ATOM 282 CG ASN A 21 29.770 -7.714 -13.126 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.767 -8.357 -13.448 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.835 -6.456 -12.725 1.00 0.00 N ATOM 0 H ASN A 21 26.787 -6.527 -13.546 1.00 0.00 H new ATOM 0 HA ASN A 21 28.438 -7.968 -15.290 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.775 -7.913 -12.383 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.477 -9.409 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.737 -5.983 -12.674 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.983 -5.958 -12.467 1.00 0.00 H new ATOM 291 N SER A 22 25.787 -9.603 -14.204 1.00 0.00 N ATOM 292 CA SER A 22 24.942 -10.756 -14.462 1.00 0.00 C ATOM 293 C SER A 22 24.296 -10.650 -15.843 1.00 0.00 C ATOM 294 O SER A 22 24.016 -11.664 -16.485 1.00 0.00 O ATOM 295 CB SER A 22 23.867 -10.872 -13.379 1.00 0.00 C ATOM 296 OG SER A 22 23.115 -12.065 -13.522 1.00 0.00 O ATOM 0 H SER A 22 25.441 -8.982 -13.473 1.00 0.00 H new ATOM 0 HA SER A 22 25.561 -11.653 -14.441 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.336 -10.851 -12.395 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.200 -10.011 -13.432 1.00 0.00 H new ATOM 0 HG SER A 22 23.541 -12.784 -13.009 1.00 0.00 H new ATOM 302 N PHE A 23 24.071 -9.417 -16.293 1.00 0.00 N ATOM 303 CA PHE A 23 23.477 -9.168 -17.600 1.00 0.00 C ATOM 304 C PHE A 23 24.327 -9.777 -18.709 1.00 0.00 C ATOM 305 O PHE A 23 23.821 -10.508 -19.563 1.00 0.00 O ATOM 306 CB PHE A 23 23.307 -7.662 -17.836 1.00 0.00 C ATOM 307 CG PHE A 23 22.775 -7.325 -19.200 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.445 -7.548 -19.513 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.607 -6.787 -20.171 1.00 0.00 C ATOM 310 CE1 PHE A 23 20.954 -7.246 -20.768 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.122 -6.483 -21.427 1.00 0.00 C ATOM 312 CZ PHE A 23 21.793 -6.711 -21.726 1.00 0.00 C ATOM 0 H PHE A 23 24.293 -8.572 -15.766 1.00 0.00 H new ATOM 0 HA PHE A 23 22.495 -9.641 -17.618 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.632 -7.258 -17.082 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.270 -7.170 -17.699 1.00 0.00 H new ATOM 0 HD1 PHE A 23 20.784 -7.963 -18.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.646 -6.604 -19.942 1.00 0.00 H new ATOM 0 HE1 PHE A 23 19.915 -7.428 -21.000 1.00 0.00 H new ATOM 0 HE2 PHE A 23 23.781 -6.067 -22.175 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.410 -6.471 -22.707 1.00 0.00 H new ATOM 322 N MET A 24 25.623 -9.493 -18.669 1.00 0.00 N ATOM 323 CA MET A 24 26.538 -9.939 -19.714 1.00 0.00 C ATOM 324 C MET A 24 26.618 -11.461 -19.749 1.00 0.00 C ATOM 325 O MET A 24 26.717 -12.063 -20.819 1.00 0.00 O ATOM 326 CB MET A 24 27.941 -9.363 -19.499 1.00 0.00 C ATOM 327 CG MET A 24 27.966 -7.877 -19.153 1.00 0.00 C ATOM 328 SD MET A 24 26.937 -6.871 -20.241 1.00 0.00 S ATOM 329 CE MET A 24 27.627 -7.258 -21.843 1.00 0.00 C ATOM 0 H MET A 24 26.065 -8.955 -17.924 1.00 0.00 H new ATOM 0 HA MET A 24 26.149 -9.578 -20.666 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.430 -9.918 -18.698 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.529 -9.523 -20.403 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.631 -7.745 -18.124 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.994 -7.517 -19.202 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.044 -6.763 -22.620 1.00 0.00 H new ATOM 0 HE2 MET A 24 28.660 -6.912 -21.888 1.00 0.00 H new ATOM 0 HE3 MET A 24 27.599 -8.336 -22.000 1.00 0.00 H new ATOM 339 N GLN A 25 26.558 -12.072 -18.569 1.00 0.00 N ATOM 340 CA GLN A 25 26.650 -13.524 -18.432 1.00 0.00 C ATOM 341 C GLN A 25 25.499 -14.223 -19.147 1.00 0.00 C ATOM 342 O GLN A 25 25.642 -15.344 -19.638 1.00 0.00 O ATOM 343 CB GLN A 25 26.646 -13.908 -16.956 1.00 0.00 C ATOM 344 CG GLN A 25 27.828 -13.355 -16.181 1.00 0.00 C ATOM 345 CD GLN A 25 27.740 -13.657 -14.699 1.00 0.00 C ATOM 346 OE1 GLN A 25 27.157 -14.662 -14.292 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.324 -12.794 -13.886 1.00 0.00 N ATOM 0 H GLN A 25 26.445 -11.578 -17.684 1.00 0.00 H new ATOM 0 HA GLN A 25 27.584 -13.846 -18.893 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.723 -13.551 -16.499 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.643 -14.995 -16.872 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.750 -13.777 -16.581 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.882 -12.276 -16.327 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.796 -11.974 -14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.302 -12.948 -12.878 1.00 0.00 H new ATOM 356 N GLY A 26 24.355 -13.561 -19.193 1.00 0.00 N ATOM 357 CA GLY A 26 23.214 -14.113 -19.887 1.00 0.00 C ATOM 358 C GLY A 26 23.200 -13.729 -21.351 1.00 0.00 C ATOM 359 O GLY A 26 22.639 -14.439 -22.183 1.00 0.00 O ATOM 0 H GLY A 26 24.197 -12.650 -18.762 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.226 -15.199 -19.797 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.297 -13.764 -19.412 1.00 0.00 H new ATOM 363 N LEU A 27 23.836 -12.608 -21.667 1.00 0.00 N ATOM 364 CA LEU A 27 23.824 -12.081 -23.023 1.00 0.00 C ATOM 365 C LEU A 27 24.790 -12.845 -23.921 1.00 0.00 C ATOM 366 O LEU A 27 24.625 -12.868 -25.139 1.00 0.00 O ATOM 367 CB LEU A 27 24.187 -10.599 -23.027 1.00 0.00 C ATOM 368 CG LEU A 27 23.734 -9.835 -24.271 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.228 -9.625 -24.248 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.462 -8.510 -24.380 1.00 0.00 C ATOM 0 H LEU A 27 24.367 -12.047 -21.001 1.00 0.00 H new ATOM 0 HA LEU A 27 22.814 -12.205 -23.414 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.747 -10.128 -22.148 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.269 -10.503 -22.932 1.00 0.00 H new ATOM 0 HG LEU A 27 23.982 -10.430 -25.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 21.923 -9.080 -25.141 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.726 -10.592 -24.225 1.00 0.00 H new ATOM 0 HD13 LEU A 27 21.954 -9.052 -23.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.125 -7.982 -25.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.250 -7.905 -23.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.535 -8.689 -24.448 1.00 0.00 H new ATOM 382 N SER A 28 25.792 -13.475 -23.321 1.00 0.00 N ATOM 383 CA SER A 28 26.758 -14.260 -24.071 1.00 0.00 C ATOM 384 C SER A 28 26.106 -15.505 -24.667 1.00 0.00 C ATOM 385 O SER A 28 26.667 -16.162 -25.544 1.00 0.00 O ATOM 386 CB SER A 28 27.915 -14.646 -23.156 1.00 0.00 C ATOM 387 OG SER A 28 27.437 -15.116 -21.911 1.00 0.00 O ATOM 0 H SER A 28 25.955 -13.456 -22.314 1.00 0.00 H new ATOM 0 HA SER A 28 27.137 -13.658 -24.897 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.520 -15.417 -23.633 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.564 -13.784 -22.999 1.00 0.00 H new ATOM 0 HG SER A 28 28.195 -15.359 -21.340 1.00 0.00 H new ATOM 393 N SER A 29 24.912 -15.814 -24.186 1.00 0.00 N ATOM 394 CA SER A 29 24.156 -16.946 -24.680 1.00 0.00 C ATOM 395 C SER A 29 23.198 -16.494 -25.782 1.00 0.00 C ATOM 396 O SER A 29 22.453 -17.296 -26.351 1.00 0.00 O ATOM 397 CB SER A 29 23.385 -17.587 -23.522 1.00 0.00 C ATOM 398 OG SER A 29 22.836 -18.840 -23.890 1.00 0.00 O ATOM 0 H SER A 29 24.445 -15.289 -23.447 1.00 0.00 H new ATOM 0 HA SER A 29 24.838 -17.685 -25.102 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.051 -17.718 -22.669 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.585 -16.919 -23.203 1.00 0.00 H new ATOM 0 HG SER A 29 22.399 -18.762 -24.764 1.00 0.00 H new ATOM 404 N MET A 30 23.233 -15.202 -26.087 1.00 0.00 N ATOM 405 CA MET A 30 22.329 -14.622 -27.061 1.00 0.00 C ATOM 406 C MET A 30 23.030 -14.438 -28.404 1.00 0.00 C ATOM 407 O MET A 30 24.027 -13.725 -28.500 1.00 0.00 O ATOM 408 CB MET A 30 21.819 -13.278 -26.550 1.00 0.00 C ATOM 409 CG MET A 30 21.232 -13.328 -25.144 1.00 0.00 C ATOM 410 SD MET A 30 19.759 -14.364 -25.017 1.00 0.00 S ATOM 411 CE MET A 30 19.273 -14.048 -23.316 1.00 0.00 C ATOM 0 H MET A 30 23.883 -14.537 -25.669 1.00 0.00 H new ATOM 0 HA MET A 30 21.487 -15.299 -27.204 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.640 -12.561 -26.564 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.059 -12.905 -27.236 1.00 0.00 H new ATOM 0 HG2 MET A 30 21.990 -13.701 -24.455 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.983 -12.315 -24.826 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.345 -14.576 -23.099 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.056 -14.398 -22.643 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.123 -12.978 -23.173 1.00 0.00 H new ATOM 421 N PRO A 31 22.500 -15.068 -29.465 1.00 0.00 N ATOM 422 CA PRO A 31 23.104 -15.029 -30.809 1.00 0.00 C ATOM 423 C PRO A 31 22.887 -13.703 -31.521 1.00 0.00 C ATOM 424 O PRO A 31 23.279 -13.516 -32.674 1.00 0.00 O ATOM 425 CB PRO A 31 22.367 -16.138 -31.542 1.00 0.00 C ATOM 426 CG PRO A 31 21.028 -16.189 -30.892 1.00 0.00 C ATOM 427 CD PRO A 31 21.270 -15.884 -29.441 1.00 0.00 C ATOM 0 HA PRO A 31 24.187 -15.150 -30.769 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.283 -15.922 -32.607 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.889 -17.090 -31.450 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.349 -15.462 -31.337 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.570 -17.170 -31.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.435 -15.340 -29.000 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.402 -16.794 -28.856 1.00 0.00 H new ATOM 435 N GLY A 32 22.246 -12.804 -30.818 1.00 0.00 N ATOM 436 CA GLY A 32 21.958 -11.490 -31.351 1.00 0.00 C ATOM 437 C GLY A 32 23.155 -10.561 -31.288 1.00 0.00 C ATOM 438 O GLY A 32 23.198 -9.552 -31.991 1.00 0.00 O ATOM 0 H GLY A 32 21.910 -12.957 -29.867 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.631 -11.585 -32.386 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.131 -11.049 -30.795 1.00 0.00 H new ATOM 442 N PHE A 33 24.129 -10.900 -30.452 1.00 0.00 N ATOM 443 CA PHE A 33 25.309 -10.063 -30.274 1.00 0.00 C ATOM 444 C PHE A 33 26.589 -10.869 -30.477 1.00 0.00 C ATOM 445 O PHE A 33 26.551 -12.085 -30.673 1.00 0.00 O ATOM 446 CB PHE A 33 25.323 -9.431 -28.877 1.00 0.00 C ATOM 447 CG PHE A 33 24.250 -8.404 -28.646 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.405 -7.103 -29.102 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.095 -8.735 -27.958 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.431 -6.155 -28.877 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.114 -7.791 -27.733 1.00 0.00 C ATOM 452 CZ PHE A 33 22.282 -6.498 -28.193 1.00 0.00 C ATOM 0 H PHE A 33 24.125 -11.749 -29.887 1.00 0.00 H new ATOM 0 HA PHE A 33 25.265 -9.274 -31.024 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.218 -10.221 -28.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.295 -8.966 -28.712 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.301 -6.830 -29.640 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.960 -9.743 -27.594 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.566 -5.145 -29.235 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.216 -8.062 -27.198 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.516 -5.758 -28.017 1.00 0.00 H new ATOM 462 N THR A 34 27.718 -10.176 -30.433 1.00 0.00 N ATOM 463 CA THR A 34 29.021 -10.808 -30.543 1.00 0.00 C ATOM 464 C THR A 34 29.886 -10.408 -29.352 1.00 0.00 C ATOM 465 O THR A 34 29.532 -9.490 -28.605 1.00 0.00 O ATOM 466 CB THR A 34 29.734 -10.432 -31.871 1.00 0.00 C ATOM 467 OG1 THR A 34 31.029 -11.042 -31.938 1.00 0.00 O ATOM 468 CG2 THR A 34 29.884 -8.925 -32.019 1.00 0.00 C ATOM 0 H THR A 34 27.755 -9.163 -30.320 1.00 0.00 H new ATOM 0 HA THR A 34 28.873 -11.888 -30.545 1.00 0.00 H new ATOM 0 HB THR A 34 29.111 -10.802 -32.686 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.463 -10.796 -32.781 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.387 -8.700 -32.959 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.899 -8.459 -32.014 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.474 -8.535 -31.190 1.00 0.00 H new ATOM 476 N ALA A 35 31.019 -11.083 -29.187 1.00 0.00 N ATOM 477 CA ALA A 35 31.905 -10.856 -28.051 1.00 0.00 C ATOM 478 C ALA A 35 32.349 -9.397 -27.970 1.00 0.00 C ATOM 479 O ALA A 35 32.546 -8.859 -26.879 1.00 0.00 O ATOM 480 CB ALA A 35 33.114 -11.775 -28.142 1.00 0.00 C ATOM 0 H ALA A 35 31.348 -11.800 -29.834 1.00 0.00 H new ATOM 0 HA ALA A 35 31.351 -11.083 -27.140 1.00 0.00 H new ATOM 0 HB1 ALA A 35 33.770 -11.599 -27.290 1.00 0.00 H new ATOM 0 HB2 ALA A 35 32.783 -12.813 -28.136 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.656 -11.572 -29.065 1.00 0.00 H new ATOM 486 N SER A 36 32.484 -8.758 -29.126 1.00 0.00 N ATOM 487 CA SER A 36 32.885 -7.358 -29.185 1.00 0.00 C ATOM 488 C SER A 36 31.795 -6.464 -28.592 1.00 0.00 C ATOM 489 O SER A 36 32.080 -5.566 -27.800 1.00 0.00 O ATOM 490 CB SER A 36 33.183 -6.954 -30.632 1.00 0.00 C ATOM 491 OG SER A 36 33.764 -5.664 -30.700 1.00 0.00 O ATOM 0 H SER A 36 32.321 -9.188 -30.036 1.00 0.00 H new ATOM 0 HA SER A 36 33.792 -7.230 -28.594 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.857 -7.682 -31.083 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.261 -6.970 -31.213 1.00 0.00 H new ATOM 0 HG SER A 36 33.944 -5.435 -31.636 1.00 0.00 H new ATOM 497 N GLN A 37 30.544 -6.741 -28.954 1.00 0.00 N ATOM 498 CA GLN A 37 29.409 -5.961 -28.464 1.00 0.00 C ATOM 499 C GLN A 37 29.329 -6.038 -26.944 1.00 0.00 C ATOM 500 O GLN A 37 29.073 -5.039 -26.277 1.00 0.00 O ATOM 501 CB GLN A 37 28.101 -6.469 -29.078 1.00 0.00 C ATOM 502 CG GLN A 37 28.058 -6.393 -30.598 1.00 0.00 C ATOM 503 CD GLN A 37 27.078 -5.364 -31.121 1.00 0.00 C ATOM 504 OE1 GLN A 37 25.904 -5.662 -31.332 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.559 -4.161 -31.372 1.00 0.00 N ATOM 0 H GLN A 37 30.290 -7.501 -29.586 1.00 0.00 H new ATOM 0 HA GLN A 37 29.556 -4.922 -28.760 1.00 0.00 H new ATOM 0 HB2 GLN A 37 27.946 -7.504 -28.772 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.272 -5.889 -28.672 1.00 0.00 H new ATOM 0 HG2 GLN A 37 29.055 -6.157 -30.971 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.792 -7.372 -30.996 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.540 -3.954 -31.183 1.00 0.00 H new ATOM 0 HE22 GLN A 37 26.950 -3.438 -31.755 1.00 0.00 H new ATOM 514 N LEU A 38 29.566 -7.229 -26.405 1.00 0.00 N ATOM 515 CA LEU A 38 29.529 -7.443 -24.961 1.00 0.00 C ATOM 516 C LEU A 38 30.679 -6.725 -24.266 1.00 0.00 C ATOM 517 O LEU A 38 30.507 -6.183 -23.174 1.00 0.00 O ATOM 518 CB LEU A 38 29.581 -8.937 -24.624 1.00 0.00 C ATOM 519 CG LEU A 38 28.238 -9.673 -24.649 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.661 -9.720 -26.052 1.00 0.00 C ATOM 521 CD2 LEU A 38 28.396 -11.075 -24.091 1.00 0.00 C ATOM 0 H LEU A 38 29.787 -8.064 -26.948 1.00 0.00 H new ATOM 0 HA LEU A 38 28.587 -7.030 -24.599 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.255 -9.426 -25.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.018 -9.051 -23.632 1.00 0.00 H new ATOM 0 HG LEU A 38 27.539 -9.121 -24.021 1.00 0.00 H new ATOM 0 HD11 LEU A 38 26.708 -10.249 -26.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.506 -8.704 -26.416 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.354 -10.241 -26.713 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.434 -11.587 -24.115 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.116 -11.628 -24.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 28.752 -11.019 -23.062 1.00 0.00 H new ATOM 533 N ASP A 39 31.844 -6.720 -24.903 1.00 0.00 N ATOM 534 CA ASP A 39 33.033 -6.098 -24.324 1.00 0.00 C ATOM 535 C ASP A 39 32.800 -4.608 -24.117 1.00 0.00 C ATOM 536 O ASP A 39 33.023 -4.079 -23.026 1.00 0.00 O ATOM 537 CB ASP A 39 34.242 -6.311 -25.230 1.00 0.00 C ATOM 538 CG ASP A 39 35.555 -5.974 -24.547 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.947 -4.790 -24.542 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.210 -6.903 -24.026 1.00 0.00 O ATOM 0 H ASP A 39 31.993 -7.139 -25.821 1.00 0.00 H new ATOM 0 HA ASP A 39 33.230 -6.565 -23.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.265 -7.350 -25.559 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.134 -5.696 -26.123 1.00 0.00 H new ATOM 545 N ASP A 40 32.326 -3.947 -25.168 1.00 0.00 N ATOM 546 CA ASP A 40 32.011 -2.531 -25.110 1.00 0.00 C ATOM 547 C ASP A 40 30.864 -2.279 -24.141 1.00 0.00 C ATOM 548 O ASP A 40 30.932 -1.383 -23.299 1.00 0.00 O ATOM 549 CB ASP A 40 31.624 -2.020 -26.500 1.00 0.00 C ATOM 550 CG ASP A 40 32.813 -1.824 -27.422 1.00 0.00 C ATOM 551 OD1 ASP A 40 33.228 -2.797 -28.084 1.00 0.00 O ATOM 552 OD2 ASP A 40 33.322 -0.685 -27.507 1.00 0.00 O ATOM 0 H ASP A 40 32.152 -4.377 -26.076 1.00 0.00 H new ATOM 0 HA ASP A 40 32.895 -1.998 -24.761 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.931 -2.725 -26.958 1.00 0.00 H new ATOM 0 HB3 ASP A 40 31.094 -1.073 -26.396 1.00 0.00 H new ATOM 557 N MET A 41 29.821 -3.096 -24.256 1.00 0.00 N ATOM 558 CA MET A 41 28.613 -2.932 -23.464 1.00 0.00 C ATOM 559 C MET A 41 28.907 -2.999 -21.974 1.00 0.00 C ATOM 560 O MET A 41 28.414 -2.175 -21.204 1.00 0.00 O ATOM 561 CB MET A 41 27.600 -4.004 -23.851 1.00 0.00 C ATOM 562 CG MET A 41 26.226 -3.786 -23.249 1.00 0.00 C ATOM 563 SD MET A 41 25.003 -4.973 -23.843 1.00 0.00 S ATOM 564 CE MET A 41 25.000 -4.628 -25.600 1.00 0.00 C ATOM 0 H MET A 41 29.792 -3.887 -24.899 1.00 0.00 H new ATOM 0 HA MET A 41 28.200 -1.945 -23.672 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.511 -4.033 -24.937 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.975 -4.978 -23.536 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.295 -3.856 -22.163 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.888 -2.776 -23.483 1.00 0.00 H new ATOM 0 HE1 MET A 41 24.070 -4.989 -26.040 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.084 -3.553 -25.760 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.844 -5.132 -26.071 1.00 0.00 H new ATOM 574 N SER A 42 29.728 -3.960 -21.576 1.00 0.00 N ATOM 575 CA SER A 42 30.050 -4.152 -20.172 1.00 0.00 C ATOM 576 C SER A 42 30.734 -2.906 -19.616 1.00 0.00 C ATOM 577 O SER A 42 30.377 -2.411 -18.546 1.00 0.00 O ATOM 578 CB SER A 42 30.946 -5.382 -19.996 1.00 0.00 C ATOM 579 OG SER A 42 30.997 -5.791 -18.641 1.00 0.00 O ATOM 0 H SER A 42 30.183 -4.619 -22.208 1.00 0.00 H new ATOM 0 HA SER A 42 29.126 -4.318 -19.618 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.570 -6.200 -20.611 1.00 0.00 H new ATOM 0 HB3 SER A 42 31.952 -5.155 -20.348 1.00 0.00 H new ATOM 0 HG SER A 42 31.574 -6.579 -18.559 1.00 0.00 H new ATOM 585 N THR A 43 31.690 -2.383 -20.373 1.00 0.00 N ATOM 586 CA THR A 43 32.443 -1.212 -19.957 1.00 0.00 C ATOM 587 C THR A 43 31.548 0.027 -19.879 1.00 0.00 C ATOM 588 O THR A 43 31.629 0.800 -18.920 1.00 0.00 O ATOM 589 CB THR A 43 33.616 -0.950 -20.917 1.00 0.00 C ATOM 590 OG1 THR A 43 34.444 -2.118 -20.998 1.00 0.00 O ATOM 591 CG2 THR A 43 34.448 0.237 -20.453 1.00 0.00 C ATOM 0 H THR A 43 31.962 -2.755 -21.283 1.00 0.00 H new ATOM 0 HA THR A 43 32.838 -1.414 -18.961 1.00 0.00 H new ATOM 0 HB THR A 43 33.208 -0.719 -21.901 1.00 0.00 H new ATOM 0 HG1 THR A 43 34.042 -2.762 -21.618 1.00 0.00 H new ATOM 0 HG21 THR A 43 35.270 0.400 -21.150 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.822 1.128 -20.416 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.849 0.034 -19.460 1.00 0.00 H new ATOM 599 N ILE A 44 30.686 0.204 -20.876 1.00 0.00 N ATOM 600 CA ILE A 44 29.757 1.328 -20.883 1.00 0.00 C ATOM 601 C ILE A 44 28.777 1.205 -19.725 1.00 0.00 C ATOM 602 O ILE A 44 28.445 2.189 -19.061 1.00 0.00 O ATOM 603 CB ILE A 44 28.965 1.422 -22.205 1.00 0.00 C ATOM 604 CG1 ILE A 44 29.919 1.561 -23.398 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.994 2.595 -22.157 1.00 0.00 C ATOM 606 CD1 ILE A 44 30.843 2.754 -23.303 1.00 0.00 C ATOM 0 H ILE A 44 30.612 -0.413 -21.685 1.00 0.00 H new ATOM 0 HA ILE A 44 30.353 2.235 -20.779 1.00 0.00 H new ATOM 0 HB ILE A 44 28.393 0.503 -22.331 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.518 0.654 -23.480 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.333 1.639 -24.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.442 2.649 -23.096 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.295 2.455 -21.333 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.549 3.521 -22.008 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.487 2.786 -24.182 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.252 3.669 -23.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.457 2.668 -22.406 1.00 0.00 H new ATOM 618 N ALA A 45 28.331 -0.018 -19.482 1.00 0.00 N ATOM 619 CA ALA A 45 27.455 -0.310 -18.361 1.00 0.00 C ATOM 620 C ALA A 45 28.105 0.103 -17.047 1.00 0.00 C ATOM 621 O ALA A 45 27.447 0.648 -16.165 1.00 0.00 O ATOM 622 CB ALA A 45 27.110 -1.790 -18.337 1.00 0.00 C ATOM 0 H ALA A 45 28.565 -0.830 -20.053 1.00 0.00 H new ATOM 0 HA ALA A 45 26.536 0.264 -18.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.453 -1.997 -17.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.605 -2.061 -19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.024 -2.375 -18.237 1.00 0.00 H new ATOM 628 N GLN A 46 29.408 -0.137 -16.930 1.00 0.00 N ATOM 629 CA GLN A 46 30.132 0.213 -15.718 1.00 0.00 C ATOM 630 C GLN A 46 30.228 1.728 -15.565 1.00 0.00 C ATOM 631 O GLN A 46 30.348 2.240 -14.453 1.00 0.00 O ATOM 632 CB GLN A 46 31.538 -0.399 -15.710 1.00 0.00 C ATOM 633 CG GLN A 46 31.569 -1.922 -15.769 1.00 0.00 C ATOM 634 CD GLN A 46 30.418 -2.577 -15.027 1.00 0.00 C ATOM 635 OE1 GLN A 46 30.481 -2.807 -13.821 1.00 0.00 O ATOM 636 NE2 GLN A 46 29.371 -2.922 -15.758 1.00 0.00 N ATOM 0 H GLN A 46 29.979 -0.570 -17.656 1.00 0.00 H new ATOM 0 HA GLN A 46 29.574 -0.196 -14.876 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.096 -0.004 -16.559 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.056 -0.073 -14.808 1.00 0.00 H new ATOM 0 HG2 GLN A 46 31.546 -2.238 -16.812 1.00 0.00 H new ATOM 0 HG3 GLN A 46 32.511 -2.276 -15.349 1.00 0.00 H new ATOM 0 HE21 GLN A 46 29.355 -2.714 -16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 46 28.579 -3.396 -15.323 1.00 0.00 H new ATOM 645 N SER A 47 30.150 2.444 -16.685 1.00 0.00 N ATOM 646 CA SER A 47 30.262 3.894 -16.669 1.00 0.00 C ATOM 647 C SER A 47 29.102 4.514 -15.892 1.00 0.00 C ATOM 648 O SER A 47 29.305 5.415 -15.073 1.00 0.00 O ATOM 649 CB SER A 47 30.300 4.439 -18.102 1.00 0.00 C ATOM 650 OG SER A 47 30.497 5.843 -18.123 1.00 0.00 O ATOM 0 H SER A 47 30.010 2.041 -17.611 1.00 0.00 H new ATOM 0 HA SER A 47 31.192 4.164 -16.169 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.101 3.951 -18.656 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.367 4.195 -18.609 1.00 0.00 H new ATOM 0 HG SER A 47 30.518 6.157 -19.051 1.00 0.00 H new ATOM 656 N MET A 48 27.893 4.011 -16.130 1.00 0.00 N ATOM 657 CA MET A 48 26.710 4.531 -15.450 1.00 0.00 C ATOM 658 C MET A 48 26.666 4.024 -14.010 1.00 0.00 C ATOM 659 O MET A 48 26.119 4.683 -13.125 1.00 0.00 O ATOM 660 CB MET A 48 25.428 4.175 -16.222 1.00 0.00 C ATOM 661 CG MET A 48 25.038 2.707 -16.182 1.00 0.00 C ATOM 662 SD MET A 48 24.049 2.280 -14.735 1.00 0.00 S ATOM 663 CE MET A 48 22.614 3.334 -14.967 1.00 0.00 C ATOM 0 H MET A 48 27.707 3.250 -16.783 1.00 0.00 H new ATOM 0 HA MET A 48 26.772 5.619 -15.421 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.604 4.765 -15.819 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.555 4.473 -17.263 1.00 0.00 H new ATOM 0 HG2 MET A 48 24.478 2.461 -17.084 1.00 0.00 H new ATOM 0 HG3 MET A 48 25.941 2.096 -16.191 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.708 2.770 -14.745 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.680 4.192 -14.297 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.581 3.682 -16.000 1.00 0.00 H new ATOM 673 N VAL A 49 27.276 2.865 -13.770 1.00 0.00 N ATOM 674 CA VAL A 49 27.405 2.335 -12.418 1.00 0.00 C ATOM 675 C VAL A 49 28.305 3.237 -11.577 1.00 0.00 C ATOM 676 O VAL A 49 28.002 3.536 -10.421 1.00 0.00 O ATOM 677 CB VAL A 49 27.979 0.902 -12.422 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.233 0.411 -11.005 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.042 -0.047 -13.151 1.00 0.00 C ATOM 0 H VAL A 49 27.688 2.277 -14.495 1.00 0.00 H new ATOM 0 HA VAL A 49 26.406 2.305 -11.984 1.00 0.00 H new ATOM 0 HB VAL A 49 28.932 0.924 -12.950 1.00 0.00 H new ATOM 0 HG11 VAL A 49 28.637 -0.601 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 49 28.947 1.071 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 49 27.297 0.410 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 49 27.464 -1.052 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.073 -0.056 -12.652 1.00 0.00 H new ATOM 0 HG23 VAL A 49 26.916 0.286 -14.181 1.00 0.00 H new ATOM 689 N GLN A 50 29.403 3.692 -12.176 1.00 0.00 N ATOM 690 CA GLN A 50 30.339 4.569 -11.479 1.00 0.00 C ATOM 691 C GLN A 50 29.722 5.942 -11.223 1.00 0.00 C ATOM 692 O GLN A 50 30.220 6.717 -10.407 1.00 0.00 O ATOM 693 CB GLN A 50 31.645 4.709 -12.253 1.00 0.00 C ATOM 694 CG GLN A 50 32.412 3.402 -12.371 1.00 0.00 C ATOM 695 CD GLN A 50 32.662 2.731 -11.030 1.00 0.00 C ATOM 696 OE1 GLN A 50 31.868 1.903 -10.578 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.759 3.087 -10.380 1.00 0.00 N ATOM 0 H GLN A 50 29.665 3.469 -13.136 1.00 0.00 H new ATOM 0 HA GLN A 50 30.561 4.109 -10.516 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.429 5.088 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.275 5.450 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 50 31.857 2.719 -13.014 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.368 3.592 -12.859 1.00 0.00 H new ATOM 0 HE21 GLN A 50 34.392 3.776 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.971 2.673 -9.472 1.00 0.00 H new ATOM 706 N SER A 51 28.636 6.240 -11.925 1.00 0.00 N ATOM 707 CA SER A 51 27.868 7.448 -11.661 1.00 0.00 C ATOM 708 C SER A 51 27.051 7.253 -10.386 1.00 0.00 C ATOM 709 O SER A 51 26.987 8.132 -9.524 1.00 0.00 O ATOM 710 CB SER A 51 26.942 7.755 -12.845 1.00 0.00 C ATOM 711 OG SER A 51 27.653 7.717 -14.073 1.00 0.00 O ATOM 0 H SER A 51 28.268 5.662 -12.681 1.00 0.00 H new ATOM 0 HA SER A 51 28.547 8.290 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.127 7.032 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.491 8.738 -12.713 1.00 0.00 H new ATOM 0 HG SER A 51 28.018 6.818 -14.212 1.00 0.00 H new ATOM 717 N ILE A 52 26.458 6.068 -10.266 1.00 0.00 N ATOM 718 CA ILE A 52 25.644 5.716 -9.112 1.00 0.00 C ATOM 719 C ILE A 52 26.495 5.645 -7.844 1.00 0.00 C ATOM 720 O ILE A 52 26.008 5.916 -6.745 1.00 0.00 O ATOM 721 CB ILE A 52 24.928 4.371 -9.340 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.053 4.459 -10.591 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.086 4.000 -8.125 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.426 3.145 -10.985 1.00 0.00 C ATOM 0 H ILE A 52 26.529 5.329 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 52 24.894 6.496 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 52 25.676 3.592 -9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.264 5.192 -10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.656 4.827 -11.421 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.588 3.047 -8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.729 3.914 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.338 4.773 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.820 3.285 -11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.209 2.414 -11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.795 2.785 -10.172 1.00 0.00 H new ATOM 736 N GLN A 53 27.771 5.295 -8.014 1.00 0.00 N ATOM 737 CA GLN A 53 28.725 5.254 -6.906 1.00 0.00 C ATOM 738 C GLN A 53 28.665 6.545 -6.093 1.00 0.00 C ATOM 739 O GLN A 53 28.504 6.520 -4.875 1.00 0.00 O ATOM 740 CB GLN A 53 30.151 5.049 -7.428 1.00 0.00 C ATOM 741 CG GLN A 53 30.389 3.698 -8.090 1.00 0.00 C ATOM 742 CD GLN A 53 30.309 2.542 -7.115 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.588 2.694 -5.927 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.952 1.372 -7.616 1.00 0.00 N ATOM 0 H GLN A 53 28.169 5.034 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 53 28.454 4.415 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.379 5.837 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.849 5.162 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.653 3.552 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.370 3.699 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.728 1.289 -8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.900 0.553 -7.011 1.00 0.00 H new ATOM 753 N SER A 54 28.761 7.670 -6.785 1.00 0.00 N ATOM 754 CA SER A 54 28.726 8.968 -6.134 1.00 0.00 C ATOM 755 C SER A 54 27.290 9.356 -5.795 1.00 0.00 C ATOM 756 O SER A 54 27.026 9.952 -4.751 1.00 0.00 O ATOM 757 CB SER A 54 29.352 10.021 -7.048 1.00 0.00 C ATOM 758 OG SER A 54 30.606 9.577 -7.543 1.00 0.00 O ATOM 0 H SER A 54 28.864 7.709 -7.799 1.00 0.00 H new ATOM 0 HA SER A 54 29.297 8.912 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.681 10.231 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.482 10.954 -6.500 1.00 0.00 H new ATOM 0 HG SER A 54 30.989 10.264 -8.127 1.00 0.00 H new ATOM 764 N LEU A 55 26.368 8.994 -6.679 1.00 0.00 N ATOM 765 CA LEU A 55 24.957 9.333 -6.524 1.00 0.00 C ATOM 766 C LEU A 55 24.397 8.821 -5.197 1.00 0.00 C ATOM 767 O LEU A 55 23.823 9.586 -4.416 1.00 0.00 O ATOM 768 CB LEU A 55 24.160 8.739 -7.686 1.00 0.00 C ATOM 769 CG LEU A 55 22.700 9.182 -7.778 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.612 10.671 -8.076 1.00 0.00 C ATOM 771 CD2 LEU A 55 21.972 8.376 -8.842 1.00 0.00 C ATOM 0 H LEU A 55 26.576 8.458 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 55 24.867 10.419 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.660 9.001 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.187 7.652 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 55 22.219 8.999 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 55 21.565 10.968 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.102 11.231 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 55 23.106 10.882 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.933 8.701 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.453 8.531 -9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.008 7.317 -8.584 1.00 0.00 H new ATOM 783 N ALA A 56 24.595 7.534 -4.936 1.00 0.00 N ATOM 784 CA ALA A 56 24.005 6.884 -3.771 1.00 0.00 C ATOM 785 C ALA A 56 24.826 7.113 -2.505 1.00 0.00 C ATOM 786 O ALA A 56 24.360 6.835 -1.403 1.00 0.00 O ATOM 787 CB ALA A 56 23.840 5.393 -4.031 1.00 0.00 C ATOM 0 H ALA A 56 25.162 6.917 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 56 23.026 7.334 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.399 4.918 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.188 5.244 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 56 24.815 4.949 -4.233 1.00 0.00 H new ATOM 793 N ALA A 57 26.037 7.635 -2.660 1.00 0.00 N ATOM 794 CA ALA A 57 26.915 7.845 -1.522 1.00 0.00 C ATOM 795 C ALA A 57 26.809 9.280 -1.048 1.00 0.00 C ATOM 796 O ALA A 57 26.976 9.572 0.135 1.00 0.00 O ATOM 797 CB ALA A 57 28.352 7.502 -1.882 1.00 0.00 C ATOM 0 H ALA A 57 26.429 7.918 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 57 26.605 7.184 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.993 7.666 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.412 6.457 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.683 8.137 -2.704 1.00 0.00 H new ATOM 803 N GLN A 58 26.519 10.174 -1.981 1.00 0.00 N ATOM 804 CA GLN A 58 26.347 11.575 -1.653 1.00 0.00 C ATOM 805 C GLN A 58 24.891 11.875 -1.310 1.00 0.00 C ATOM 806 O GLN A 58 24.570 12.950 -0.806 1.00 0.00 O ATOM 807 CB GLN A 58 26.826 12.457 -2.806 1.00 0.00 C ATOM 808 CG GLN A 58 28.321 12.339 -3.070 1.00 0.00 C ATOM 809 CD GLN A 58 28.776 13.108 -4.295 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.912 13.210 -5.293 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.905 13.594 -4.350 1.00 0.00 N flip ATOM 0 H GLN A 58 26.399 9.952 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 58 26.953 11.799 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.281 12.188 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.583 13.496 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.867 12.701 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.579 11.287 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.542 13.494 -3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.204 14.097 -5.186 1.00 0.00 H new ATOM 820 N GLY A 59 24.016 10.917 -1.594 1.00 0.00 N ATOM 821 CA GLY A 59 22.613 11.059 -1.254 1.00 0.00 C ATOM 822 C GLY A 59 21.883 12.004 -2.181 1.00 0.00 C ATOM 823 O GLY A 59 21.014 12.761 -1.753 1.00 0.00 O ATOM 0 H GLY A 59 24.255 10.040 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.134 10.080 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.526 11.421 -0.230 1.00 0.00 H new ATOM 827 N ARG A 60 22.228 11.960 -3.459 1.00 0.00 N ATOM 828 CA ARG A 60 21.597 12.829 -4.441 1.00 0.00 C ATOM 829 C ARG A 60 20.684 12.023 -5.353 1.00 0.00 C ATOM 830 O ARG A 60 20.231 12.508 -6.392 1.00 0.00 O ATOM 831 CB ARG A 60 22.650 13.565 -5.267 1.00 0.00 C ATOM 832 CG ARG A 60 23.601 14.402 -4.432 1.00 0.00 C ATOM 833 CD ARG A 60 24.301 15.438 -5.286 1.00 0.00 C ATOM 834 NE ARG A 60 25.312 16.185 -4.545 1.00 0.00 N ATOM 835 CZ ARG A 60 25.063 17.302 -3.864 1.00 0.00 C ATOM 836 NH1 ARG A 60 23.822 17.777 -3.788 1.00 0.00 N ATOM 837 NH2 ARG A 60 26.057 17.937 -3.257 1.00 0.00 N ATOM 0 H ARG A 60 22.938 11.335 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 60 20.998 13.568 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.226 12.837 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.148 14.211 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.050 14.896 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.340 13.756 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.770 14.945 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.563 16.132 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 60 26.268 15.830 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 60 23.058 17.285 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 60 23.635 18.633 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 27.007 17.569 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.872 18.793 -2.734 1.00 0.00 H new ATOM 851 N THR A 61 20.418 10.790 -4.952 1.00 0.00 N ATOM 852 CA THR A 61 19.576 9.892 -5.719 1.00 0.00 C ATOM 853 C THR A 61 18.123 10.356 -5.690 1.00 0.00 C ATOM 854 O THR A 61 17.378 10.075 -4.753 1.00 0.00 O ATOM 855 CB THR A 61 19.682 8.462 -5.161 1.00 0.00 C ATOM 856 OG1 THR A 61 21.030 8.209 -4.736 1.00 0.00 O ATOM 857 CG2 THR A 61 19.296 7.443 -6.216 1.00 0.00 C ATOM 0 H THR A 61 20.780 10.386 -4.088 1.00 0.00 H new ATOM 0 HA THR A 61 19.920 9.899 -6.753 1.00 0.00 H new ATOM 0 HB THR A 61 19.000 8.372 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.231 7.255 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.378 6.439 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.269 7.621 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.963 7.536 -7.073 1.00 0.00 H new ATOM 865 N SER A 62 17.743 11.100 -6.715 1.00 0.00 N ATOM 866 CA SER A 62 16.395 11.621 -6.825 1.00 0.00 C ATOM 867 C SER A 62 15.634 10.892 -7.932 1.00 0.00 C ATOM 868 O SER A 62 16.247 10.422 -8.893 1.00 0.00 O ATOM 869 CB SER A 62 16.458 13.122 -7.114 1.00 0.00 C ATOM 870 OG SER A 62 17.264 13.784 -6.154 1.00 0.00 O ATOM 0 H SER A 62 18.357 11.357 -7.488 1.00 0.00 H new ATOM 0 HA SER A 62 15.865 11.459 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.862 13.288 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.452 13.542 -7.103 1.00 0.00 H new ATOM 0 HG SER A 62 17.293 14.742 -6.357 1.00 0.00 H new ATOM 876 N PRO A 63 14.297 10.782 -7.807 1.00 0.00 N ATOM 877 CA PRO A 63 13.448 10.115 -8.807 1.00 0.00 C ATOM 878 C PRO A 63 13.701 10.627 -10.223 1.00 0.00 C ATOM 879 O PRO A 63 13.749 9.846 -11.171 1.00 0.00 O ATOM 880 CB PRO A 63 12.029 10.460 -8.357 1.00 0.00 C ATOM 881 CG PRO A 63 12.145 10.677 -6.888 1.00 0.00 C ATOM 882 CD PRO A 63 13.503 11.284 -6.665 1.00 0.00 C ATOM 0 HA PRO A 63 13.644 9.044 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.659 11.352 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.333 9.653 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.358 11.339 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.044 9.737 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.459 12.373 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.930 10.973 -5.712 1.00 0.00 H new ATOM 890 N ASN A 64 13.880 11.940 -10.349 1.00 0.00 N ATOM 891 CA ASN A 64 14.179 12.564 -11.639 1.00 0.00 C ATOM 892 C ASN A 64 15.422 11.937 -12.273 1.00 0.00 C ATOM 893 O ASN A 64 15.439 11.632 -13.467 1.00 0.00 O ATOM 894 CB ASN A 64 14.398 14.071 -11.457 1.00 0.00 C ATOM 895 CG ASN A 64 14.697 14.795 -12.763 1.00 0.00 C ATOM 896 OD1 ASN A 64 15.524 15.707 -12.801 1.00 0.00 O ATOM 897 ND2 ASN A 64 14.004 14.426 -13.830 1.00 0.00 N ATOM 0 H ASN A 64 13.823 12.596 -9.570 1.00 0.00 H new ATOM 0 HA ASN A 64 13.329 12.398 -12.301 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.510 14.508 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.223 14.231 -10.763 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.147 14.902 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.327 13.666 -13.761 1.00 0.00 H new ATOM 904 N LYS A 65 16.446 11.720 -11.455 1.00 0.00 N ATOM 905 CA LYS A 65 17.710 11.178 -11.935 1.00 0.00 C ATOM 906 C LYS A 65 17.548 9.717 -12.330 1.00 0.00 C ATOM 907 O LYS A 65 18.067 9.279 -13.353 1.00 0.00 O ATOM 908 CB LYS A 65 18.797 11.310 -10.864 1.00 0.00 C ATOM 909 CG LYS A 65 18.912 12.709 -10.284 1.00 0.00 C ATOM 910 CD LYS A 65 20.359 13.075 -10.011 1.00 0.00 C ATOM 911 CE LYS A 65 20.489 14.494 -9.484 1.00 0.00 C ATOM 912 NZ LYS A 65 21.907 14.939 -9.426 1.00 0.00 N ATOM 0 H LYS A 65 16.424 11.912 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 65 18.012 11.750 -12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.588 10.607 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.757 11.024 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.477 13.429 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.338 12.770 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.781 12.378 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.940 12.972 -10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.922 15.171 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.050 14.553 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.951 15.912 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.443 14.309 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.320 14.908 -10.380 1.00 0.00 H new ATOM 926 N LEU A 66 16.808 8.970 -11.519 1.00 0.00 N ATOM 927 CA LEU A 66 16.583 7.552 -11.776 1.00 0.00 C ATOM 928 C LEU A 66 15.750 7.358 -13.037 1.00 0.00 C ATOM 929 O LEU A 66 15.976 6.424 -13.805 1.00 0.00 O ATOM 930 CB LEU A 66 15.903 6.899 -10.573 1.00 0.00 C ATOM 931 CG LEU A 66 16.701 6.979 -9.269 1.00 0.00 C ATOM 932 CD1 LEU A 66 15.928 6.356 -8.119 1.00 0.00 C ATOM 933 CD2 LEU A 66 18.053 6.299 -9.430 1.00 0.00 C ATOM 0 H LEU A 66 16.353 9.323 -10.677 1.00 0.00 H new ATOM 0 HA LEU A 66 17.548 7.071 -11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.933 7.372 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.714 5.851 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 66 16.865 8.031 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.517 6.426 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.985 6.886 -7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.726 5.308 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.607 6.365 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.904 5.251 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.617 6.793 -10.221 1.00 0.00 H new ATOM 945 N GLN A 67 14.793 8.257 -13.251 1.00 0.00 N ATOM 946 CA GLN A 67 13.991 8.244 -14.466 1.00 0.00 C ATOM 947 C GLN A 67 14.875 8.517 -15.681 1.00 0.00 C ATOM 948 O GLN A 67 14.656 7.972 -16.764 1.00 0.00 O ATOM 949 CB GLN A 67 12.867 9.285 -14.376 1.00 0.00 C ATOM 950 CG GLN A 67 12.029 9.390 -15.643 1.00 0.00 C ATOM 951 CD GLN A 67 12.130 10.751 -16.309 1.00 0.00 C ATOM 952 OE1 GLN A 67 13.255 11.430 -16.132 1.00 0.00 O flip ATOM 953 NE2 GLN A 67 11.199 11.194 -16.979 1.00 0.00 N flip ATOM 0 H GLN A 67 14.556 9.003 -12.597 1.00 0.00 H new ATOM 0 HA GLN A 67 13.539 7.258 -14.577 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.215 9.032 -13.540 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.303 10.260 -14.157 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.348 8.622 -16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.986 9.187 -15.400 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.347 10.645 -17.095 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.278 12.111 -17.419 1.00 0.00 H new ATOM 962 N ALA A 68 15.887 9.354 -15.490 1.00 0.00 N ATOM 963 CA ALA A 68 16.818 9.665 -16.559 1.00 0.00 C ATOM 964 C ALA A 68 17.734 8.482 -16.833 1.00 0.00 C ATOM 965 O ALA A 68 17.933 8.101 -17.986 1.00 0.00 O ATOM 966 CB ALA A 68 17.629 10.908 -16.225 1.00 0.00 C ATOM 0 H ALA A 68 16.081 9.826 -14.607 1.00 0.00 H new ATOM 0 HA ALA A 68 16.243 9.869 -17.462 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.320 11.122 -17.041 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.957 11.755 -16.088 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.192 10.739 -15.307 1.00 0.00 H new ATOM 972 N LEU A 69 18.267 7.890 -15.767 1.00 0.00 N ATOM 973 CA LEU A 69 19.131 6.717 -15.886 1.00 0.00 C ATOM 974 C LEU A 69 18.401 5.583 -16.593 1.00 0.00 C ATOM 975 O LEU A 69 19.010 4.794 -17.306 1.00 0.00 O ATOM 976 CB LEU A 69 19.607 6.251 -14.508 1.00 0.00 C ATOM 977 CG LEU A 69 20.472 7.254 -13.739 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.860 6.695 -12.381 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.716 7.613 -14.538 1.00 0.00 C ATOM 0 H LEU A 69 18.116 8.204 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 69 20.001 7.000 -16.479 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.733 6.011 -13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.173 5.328 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 69 19.887 8.161 -13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.474 7.422 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.960 6.489 -11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.425 5.772 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.317 8.327 -13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.301 6.713 -14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.422 8.057 -15.489 1.00 0.00 H new ATOM 991 N ASN A 70 17.090 5.524 -16.388 1.00 0.00 N ATOM 992 CA ASN A 70 16.224 4.549 -17.058 1.00 0.00 C ATOM 993 C ASN A 70 16.411 4.618 -18.571 1.00 0.00 C ATOM 994 O ASN A 70 16.707 3.618 -19.226 1.00 0.00 O ATOM 995 CB ASN A 70 14.764 4.854 -16.706 1.00 0.00 C ATOM 996 CG ASN A 70 13.759 3.932 -17.368 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.379 4.133 -18.522 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.281 2.948 -16.626 1.00 0.00 N ATOM 0 H ASN A 70 16.593 6.149 -15.753 1.00 0.00 H new ATOM 0 HA ASN A 70 16.488 3.546 -16.722 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.642 4.790 -15.625 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.540 5.882 -16.992 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.571 2.322 -17.005 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.622 2.815 -15.674 1.00 0.00 H new ATOM 1005 N MET A 71 16.268 5.822 -19.105 1.00 0.00 N ATOM 1006 CA MET A 71 16.345 6.047 -20.540 1.00 0.00 C ATOM 1007 C MET A 71 17.781 5.971 -21.032 1.00 0.00 C ATOM 1008 O MET A 71 18.059 5.394 -22.084 1.00 0.00 O ATOM 1009 CB MET A 71 15.746 7.410 -20.879 1.00 0.00 C ATOM 1010 CG MET A 71 14.279 7.520 -20.508 1.00 0.00 C ATOM 1011 SD MET A 71 13.586 9.151 -20.842 1.00 0.00 S ATOM 1012 CE MET A 71 14.466 10.132 -19.631 1.00 0.00 C ATOM 0 H MET A 71 16.096 6.666 -18.559 1.00 0.00 H new ATOM 0 HA MET A 71 15.776 5.264 -21.042 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.306 8.187 -20.359 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.860 7.596 -21.947 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.713 6.771 -21.062 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.160 7.291 -19.449 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.017 11.123 -19.570 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.407 9.646 -18.657 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.511 10.225 -19.928 1.00 0.00 H new ATOM 1022 N ARG A 72 18.689 6.552 -20.262 1.00 0.00 N ATOM 1023 CA ARG A 72 20.106 6.554 -20.625 1.00 0.00 C ATOM 1024 C ARG A 72 20.644 5.129 -20.693 1.00 0.00 C ATOM 1025 O ARG A 72 21.395 4.784 -21.607 1.00 0.00 O ATOM 1026 CB ARG A 72 20.935 7.382 -19.636 1.00 0.00 C ATOM 1027 CG ARG A 72 20.469 8.823 -19.486 1.00 0.00 C ATOM 1028 CD ARG A 72 20.268 9.502 -20.830 1.00 0.00 C ATOM 1029 NE ARG A 72 21.489 9.525 -21.629 1.00 0.00 N ATOM 1030 CZ ARG A 72 21.917 10.587 -22.306 1.00 0.00 C ATOM 1031 NH1 ARG A 72 21.277 11.749 -22.214 1.00 0.00 N ATOM 1032 NH2 ARG A 72 23.007 10.494 -23.053 1.00 0.00 N ATOM 0 H ARG A 72 18.476 7.027 -19.385 1.00 0.00 H new ATOM 0 HA ARG A 72 20.193 7.013 -21.610 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.905 6.898 -18.660 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.976 7.380 -19.960 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.534 8.845 -18.926 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.202 9.382 -18.904 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.485 8.983 -21.383 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.922 10.523 -20.670 1.00 0.00 H new ATOM 0 HE ARG A 72 22.049 8.674 -21.671 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.451 11.831 -21.621 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.612 12.558 -22.737 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.514 9.611 -23.107 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.339 11.306 -23.574 1.00 0.00 H new ATOM 1046 N PHE A 73 20.245 4.307 -19.731 1.00 0.00 N ATOM 1047 CA PHE A 73 20.619 2.899 -19.715 1.00 0.00 C ATOM 1048 C PHE A 73 20.141 2.214 -20.989 1.00 0.00 C ATOM 1049 O PHE A 73 20.927 1.596 -21.697 1.00 0.00 O ATOM 1050 CB PHE A 73 20.033 2.216 -18.473 1.00 0.00 C ATOM 1051 CG PHE A 73 20.134 0.717 -18.470 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.361 0.083 -18.563 1.00 0.00 C ATOM 1053 CD2 PHE A 73 18.992 -0.057 -18.364 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.443 -1.296 -18.553 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.066 -1.435 -18.353 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.295 -2.056 -18.446 1.00 0.00 C ATOM 0 H PHE A 73 19.659 4.594 -18.947 1.00 0.00 H new ATOM 0 HA PHE A 73 21.705 2.818 -19.672 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.542 2.602 -17.590 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.983 2.495 -18.384 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.263 0.672 -18.644 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.028 0.425 -18.289 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.406 -1.780 -18.629 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.165 -2.025 -18.272 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.359 -3.134 -18.435 1.00 0.00 H new ATOM 1066 N ALA A 74 18.860 2.365 -21.295 1.00 0.00 N ATOM 1067 CA ALA A 74 18.278 1.766 -22.489 1.00 0.00 C ATOM 1068 C ALA A 74 19.038 2.171 -23.751 1.00 0.00 C ATOM 1069 O ALA A 74 19.311 1.339 -24.619 1.00 0.00 O ATOM 1070 CB ALA A 74 16.818 2.158 -22.611 1.00 0.00 C ATOM 0 H ALA A 74 18.201 2.900 -20.730 1.00 0.00 H new ATOM 0 HA ALA A 74 18.354 0.683 -22.388 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.393 1.705 -23.507 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.273 1.809 -21.734 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.737 3.243 -22.680 1.00 0.00 H new ATOM 1076 N SER A 75 19.394 3.447 -23.840 1.00 0.00 N ATOM 1077 CA SER A 75 20.063 3.961 -25.025 1.00 0.00 C ATOM 1078 C SER A 75 21.519 3.498 -25.122 1.00 0.00 C ATOM 1079 O SER A 75 22.092 3.502 -26.209 1.00 0.00 O ATOM 1080 CB SER A 75 19.990 5.486 -25.061 1.00 0.00 C ATOM 1081 OG SER A 75 20.540 6.064 -23.884 1.00 0.00 O ATOM 0 H SER A 75 19.231 4.140 -23.109 1.00 0.00 H new ATOM 0 HA SER A 75 19.537 3.554 -25.889 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.527 5.856 -25.934 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.951 5.799 -25.170 1.00 0.00 H new ATOM 0 HG SER A 75 20.809 5.353 -23.266 1.00 0.00 H new ATOM 1087 N SER A 76 22.118 3.087 -24.004 1.00 0.00 N ATOM 1088 CA SER A 76 23.519 2.677 -24.026 1.00 0.00 C ATOM 1089 C SER A 76 23.671 1.372 -24.806 1.00 0.00 C ATOM 1090 O SER A 76 24.592 1.221 -25.610 1.00 0.00 O ATOM 1091 CB SER A 76 24.091 2.543 -22.605 1.00 0.00 C ATOM 1092 OG SER A 76 23.508 1.465 -21.899 1.00 0.00 O ATOM 0 H SER A 76 21.666 3.030 -23.091 1.00 0.00 H new ATOM 0 HA SER A 76 24.093 3.454 -24.530 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.170 2.399 -22.661 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.921 3.470 -22.057 1.00 0.00 H new ATOM 0 HG SER A 76 22.532 1.551 -21.918 1.00 0.00 H new ATOM 1098 N MET A 77 22.743 0.441 -24.592 1.00 0.00 N ATOM 1099 CA MET A 77 22.725 -0.795 -25.363 1.00 0.00 C ATOM 1100 C MET A 77 22.292 -0.510 -26.792 1.00 0.00 C ATOM 1101 O MET A 77 22.719 -1.186 -27.722 1.00 0.00 O ATOM 1102 CB MET A 77 21.792 -1.837 -24.739 1.00 0.00 C ATOM 1103 CG MET A 77 22.271 -2.371 -23.397 1.00 0.00 C ATOM 1104 SD MET A 77 21.744 -1.345 -22.017 1.00 0.00 S ATOM 1105 CE MET A 77 19.967 -1.547 -22.120 1.00 0.00 C ATOM 0 H MET A 77 22.001 0.520 -23.897 1.00 0.00 H new ATOM 0 HA MET A 77 23.736 -1.203 -25.359 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.804 -1.395 -24.611 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.681 -2.671 -25.432 1.00 0.00 H new ATOM 0 HG2 MET A 77 21.893 -3.384 -23.257 1.00 0.00 H new ATOM 0 HG3 MET A 77 23.359 -2.435 -23.403 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.506 -1.185 -21.201 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.584 -0.977 -22.967 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.728 -2.602 -22.255 1.00 0.00 H new ATOM 1115 N ALA A 78 21.451 0.507 -26.954 1.00 0.00 N ATOM 1116 CA ALA A 78 20.954 0.901 -28.269 1.00 0.00 C ATOM 1117 C ALA A 78 22.092 1.357 -29.175 1.00 0.00 C ATOM 1118 O ALA A 78 22.153 0.971 -30.338 1.00 0.00 O ATOM 1119 CB ALA A 78 19.912 2.001 -28.140 1.00 0.00 C ATOM 0 H ALA A 78 21.097 1.077 -26.186 1.00 0.00 H new ATOM 0 HA ALA A 78 20.487 0.027 -28.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.554 2.281 -29.131 1.00 0.00 H new ATOM 0 HB2 ALA A 78 19.076 1.642 -27.540 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.358 2.870 -27.657 1.00 0.00 H new ATOM 1125 N GLU A 79 22.989 2.176 -28.625 1.00 0.00 N ATOM 1126 CA GLU A 79 24.170 2.648 -29.354 1.00 0.00 C ATOM 1127 C GLU A 79 24.957 1.482 -29.936 1.00 0.00 C ATOM 1128 O GLU A 79 25.404 1.520 -31.083 1.00 0.00 O ATOM 1129 CB GLU A 79 25.079 3.437 -28.411 1.00 0.00 C ATOM 1130 CG GLU A 79 24.497 4.763 -27.955 1.00 0.00 C ATOM 1131 CD GLU A 79 24.456 5.795 -29.062 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.529 6.320 -29.425 1.00 0.00 O ATOM 1133 OE2 GLU A 79 23.357 6.088 -29.570 1.00 0.00 O ATOM 0 H GLU A 79 22.920 2.529 -27.671 1.00 0.00 H new ATOM 0 HA GLU A 79 23.829 3.286 -30.170 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.293 2.826 -27.534 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.030 3.622 -28.911 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.487 4.601 -27.577 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.090 5.149 -27.126 1.00 0.00 H new ATOM 1140 N ILE A 80 25.115 0.448 -29.126 1.00 0.00 N ATOM 1141 CA ILE A 80 25.899 -0.722 -29.494 1.00 0.00 C ATOM 1142 C ILE A 80 25.112 -1.647 -30.419 1.00 0.00 C ATOM 1143 O ILE A 80 25.625 -2.100 -31.443 1.00 0.00 O ATOM 1144 CB ILE A 80 26.330 -1.484 -28.225 1.00 0.00 C ATOM 1145 CG1 ILE A 80 27.154 -0.556 -27.332 1.00 0.00 C ATOM 1146 CG2 ILE A 80 27.119 -2.739 -28.575 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.448 -1.127 -25.970 1.00 0.00 C ATOM 0 H ILE A 80 24.704 0.395 -28.194 1.00 0.00 H new ATOM 0 HA ILE A 80 26.785 -0.383 -30.031 1.00 0.00 H new ATOM 0 HB ILE A 80 25.437 -1.802 -27.687 1.00 0.00 H new ATOM 0 HG12 ILE A 80 28.096 -0.328 -27.831 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.620 0.387 -27.213 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.408 -3.254 -27.659 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.501 -3.400 -29.183 1.00 0.00 H new ATOM 0 HG23 ILE A 80 28.013 -2.463 -29.134 1.00 0.00 H new ATOM 0 HD11 ILE A 80 28.036 -0.412 -25.395 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.511 -1.329 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 80 28.010 -2.055 -26.078 1.00 0.00 H new ATOM 1159 N ALA A 81 23.861 -1.905 -30.062 1.00 0.00 N ATOM 1160 CA ALA A 81 22.993 -2.784 -30.840 1.00 0.00 C ATOM 1161 C ALA A 81 22.723 -2.212 -32.231 1.00 0.00 C ATOM 1162 O ALA A 81 22.364 -2.944 -33.152 1.00 0.00 O ATOM 1163 CB ALA A 81 21.682 -3.004 -30.101 1.00 0.00 C ATOM 0 H ALA A 81 23.419 -1.514 -29.230 1.00 0.00 H new ATOM 0 HA ALA A 81 23.503 -3.739 -30.965 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.040 -3.661 -30.687 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.883 -3.463 -29.133 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.183 -2.046 -29.952 1.00 0.00 H new ATOM 1169 N ALA A 82 22.899 -0.899 -32.372 1.00 0.00 N ATOM 1170 CA ALA A 82 22.689 -0.222 -33.650 1.00 0.00 C ATOM 1171 C ALA A 82 23.676 -0.714 -34.705 1.00 0.00 C ATOM 1172 O ALA A 82 23.437 -0.581 -35.905 1.00 0.00 O ATOM 1173 CB ALA A 82 22.803 1.286 -33.479 1.00 0.00 C ATOM 0 H ALA A 82 23.188 -0.281 -31.613 1.00 0.00 H new ATOM 0 HA ALA A 82 21.683 -0.461 -33.994 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.644 1.774 -34.440 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.051 1.630 -32.769 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.796 1.536 -33.105 1.00 0.00 H new ATOM 1241 N SER A 89 20.509 -9.130 -37.063 1.00 0.00 N ATOM 1242 CA SER A 89 19.247 -8.456 -36.793 1.00 0.00 C ATOM 1243 C SER A 89 19.340 -7.512 -35.591 1.00 0.00 C ATOM 1244 O SER A 89 20.243 -7.624 -34.756 1.00 0.00 O ATOM 1245 CB SER A 89 18.155 -9.506 -36.555 1.00 0.00 C ATOM 1246 OG SER A 89 16.924 -8.907 -36.191 1.00 0.00 O ATOM 0 HA SER A 89 18.999 -7.845 -37.661 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.018 -10.100 -37.459 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.473 -10.191 -35.769 1.00 0.00 H new ATOM 0 HG SER A 89 16.194 -9.543 -36.342 1.00 0.00 H new ATOM 1252 N LEU A 90 18.397 -6.577 -35.524 1.00 0.00 N ATOM 1253 CA LEU A 90 18.272 -5.669 -34.396 1.00 0.00 C ATOM 1254 C LEU A 90 17.177 -6.158 -33.451 1.00 0.00 C ATOM 1255 O LEU A 90 17.299 -6.052 -32.231 1.00 0.00 O ATOM 1256 CB LEU A 90 17.942 -4.252 -34.883 1.00 0.00 C ATOM 1257 CG LEU A 90 17.679 -3.227 -33.777 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.947 -2.952 -32.983 1.00 0.00 C ATOM 1259 CD2 LEU A 90 17.120 -1.939 -34.362 1.00 0.00 C ATOM 0 H LEU A 90 17.699 -6.430 -36.253 1.00 0.00 H new ATOM 0 HA LEU A 90 19.222 -5.645 -33.863 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.768 -3.895 -35.498 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.064 -4.302 -35.527 1.00 0.00 H new ATOM 0 HG LEU A 90 16.937 -3.643 -33.096 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.736 -2.221 -32.203 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.299 -3.878 -32.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.716 -2.560 -33.649 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.940 -1.223 -33.560 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.836 -1.519 -35.069 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.183 -2.150 -34.877 1.00 0.00 H new ATOM 1271 N SER A 91 16.114 -6.714 -34.023 1.00 0.00 N ATOM 1272 CA SER A 91 14.989 -7.209 -33.242 1.00 0.00 C ATOM 1273 C SER A 91 15.396 -8.426 -32.413 1.00 0.00 C ATOM 1274 O SER A 91 14.873 -8.655 -31.321 1.00 0.00 O ATOM 1275 CB SER A 91 13.820 -7.541 -34.173 1.00 0.00 C ATOM 1276 OG SER A 91 14.285 -8.155 -35.362 1.00 0.00 O ATOM 0 H SER A 91 16.009 -6.833 -35.031 1.00 0.00 H new ATOM 0 HA SER A 91 14.671 -6.432 -32.547 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.121 -8.205 -33.664 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.274 -6.630 -34.418 1.00 0.00 H new ATOM 0 HG SER A 91 15.237 -8.369 -35.269 1.00 0.00 H new ATOM 1282 N THR A 92 16.343 -9.197 -32.933 1.00 0.00 N ATOM 1283 CA THR A 92 16.904 -10.315 -32.192 1.00 0.00 C ATOM 1284 C THR A 92 17.696 -9.802 -30.986 1.00 0.00 C ATOM 1285 O THR A 92 17.763 -10.453 -29.943 1.00 0.00 O ATOM 1286 CB THR A 92 17.822 -11.168 -33.095 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.132 -11.516 -34.301 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.265 -12.436 -32.382 1.00 0.00 C ATOM 0 H THR A 92 16.737 -9.067 -33.865 1.00 0.00 H new ATOM 0 HA THR A 92 16.082 -10.940 -31.844 1.00 0.00 H new ATOM 0 HB THR A 92 18.706 -10.577 -33.333 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.720 -12.055 -34.870 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.910 -13.017 -33.041 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.813 -12.172 -31.478 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.390 -13.029 -32.116 1.00 0.00 H new ATOM 1296 N LYS A 93 18.262 -8.609 -31.129 1.00 0.00 N ATOM 1297 CA LYS A 93 19.066 -8.004 -30.074 1.00 0.00 C ATOM 1298 C LYS A 93 18.194 -7.514 -28.924 1.00 0.00 C ATOM 1299 O LYS A 93 18.456 -7.820 -27.765 1.00 0.00 O ATOM 1300 CB LYS A 93 19.881 -6.837 -30.629 1.00 0.00 C ATOM 1301 CG LYS A 93 21.025 -7.260 -31.530 1.00 0.00 C ATOM 1302 CD LYS A 93 21.769 -6.054 -32.078 1.00 0.00 C ATOM 1303 CE LYS A 93 23.038 -6.457 -32.804 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.787 -7.515 -33.819 1.00 0.00 N ATOM 0 H LYS A 93 18.178 -8.039 -31.971 1.00 0.00 H new ATOM 0 HA LYS A 93 19.741 -8.771 -29.694 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.218 -6.176 -31.187 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.282 -6.258 -29.797 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.715 -7.894 -30.973 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.639 -7.858 -32.355 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.119 -5.505 -32.759 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.017 -5.378 -31.260 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.470 -5.583 -33.291 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.771 -6.815 -32.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.468 -7.417 -34.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.897 -8.451 -33.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.820 -7.418 -34.190 1.00 0.00 H new ATOM 1318 N THR A 94 17.158 -6.758 -29.250 1.00 0.00 N ATOM 1319 CA THR A 94 16.288 -6.182 -28.234 1.00 0.00 C ATOM 1320 C THR A 94 15.589 -7.266 -27.413 1.00 0.00 C ATOM 1321 O THR A 94 15.411 -7.122 -26.202 1.00 0.00 O ATOM 1322 CB THR A 94 15.248 -5.248 -28.878 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.626 -5.898 -29.994 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.909 -3.965 -29.346 1.00 0.00 C ATOM 0 H THR A 94 16.898 -6.528 -30.209 1.00 0.00 H new ATOM 0 HA THR A 94 16.914 -5.600 -27.557 1.00 0.00 H new ATOM 0 HB THR A 94 14.491 -5.008 -28.131 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.965 -5.297 -30.396 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.161 -3.315 -29.799 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.363 -3.458 -28.494 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.679 -4.200 -30.081 1.00 0.00 H new ATOM 1332 N SER A 95 15.218 -8.352 -28.076 1.00 0.00 N ATOM 1333 CA SER A 95 14.576 -9.471 -27.416 1.00 0.00 C ATOM 1334 C SER A 95 15.536 -10.173 -26.453 1.00 0.00 C ATOM 1335 O SER A 95 15.164 -10.523 -25.329 1.00 0.00 O ATOM 1336 CB SER A 95 14.071 -10.452 -28.472 1.00 0.00 C ATOM 1337 OG SER A 95 13.222 -9.803 -29.407 1.00 0.00 O ATOM 0 H SER A 95 15.354 -8.479 -29.079 1.00 0.00 H new ATOM 0 HA SER A 95 13.737 -9.098 -26.829 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.918 -10.898 -28.993 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.530 -11.265 -27.988 1.00 0.00 H new ATOM 0 HG SER A 95 13.765 -9.393 -30.113 1.00 0.00 H new ATOM 1343 N SER A 96 16.776 -10.358 -26.888 1.00 0.00 N ATOM 1344 CA SER A 96 17.760 -11.070 -26.091 1.00 0.00 C ATOM 1345 C SER A 96 18.218 -10.231 -24.903 1.00 0.00 C ATOM 1346 O SER A 96 18.487 -10.771 -23.827 1.00 0.00 O ATOM 1347 CB SER A 96 18.942 -11.493 -26.963 1.00 0.00 C ATOM 1348 OG SER A 96 19.370 -10.441 -27.806 1.00 0.00 O ATOM 0 H SER A 96 17.121 -10.024 -27.788 1.00 0.00 H new ATOM 0 HA SER A 96 17.293 -11.970 -25.690 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.769 -11.810 -26.327 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.658 -12.353 -27.569 1.00 0.00 H new ATOM 0 HG SER A 96 18.857 -10.461 -28.641 1.00 0.00 H new ATOM 1354 N ILE A 97 18.289 -8.915 -25.093 1.00 0.00 N ATOM 1355 CA ILE A 97 18.590 -8.003 -23.996 1.00 0.00 C ATOM 1356 C ILE A 97 17.598 -8.207 -22.856 1.00 0.00 C ATOM 1357 O ILE A 97 17.987 -8.386 -21.707 1.00 0.00 O ATOM 1358 CB ILE A 97 18.542 -6.524 -24.443 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.690 -6.222 -25.409 1.00 0.00 C ATOM 1360 CG2 ILE A 97 18.596 -5.591 -23.237 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.669 -4.809 -25.956 1.00 0.00 C ATOM 0 H ILE A 97 18.142 -8.459 -25.994 1.00 0.00 H new ATOM 0 HA ILE A 97 19.602 -8.228 -23.661 1.00 0.00 H new ATOM 0 HB ILE A 97 17.598 -6.353 -24.961 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.638 -6.390 -24.897 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.648 -6.925 -26.241 1.00 0.00 H new ATOM 0 HG21 ILE A 97 18.561 -4.556 -23.576 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.745 -5.789 -22.586 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.521 -5.761 -22.686 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.512 -4.668 -26.633 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.737 -4.642 -26.497 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.743 -4.099 -25.132 1.00 0.00 H new ATOM 1373 N ALA A 98 16.315 -8.212 -23.195 1.00 0.00 N ATOM 1374 CA ALA A 98 15.265 -8.336 -22.196 1.00 0.00 C ATOM 1375 C ALA A 98 15.332 -9.678 -21.477 1.00 0.00 C ATOM 1376 O ALA A 98 15.116 -9.749 -20.266 1.00 0.00 O ATOM 1377 CB ALA A 98 13.903 -8.141 -22.836 1.00 0.00 C ATOM 0 H ALA A 98 15.978 -8.132 -24.154 1.00 0.00 H new ATOM 0 HA ALA A 98 15.419 -7.556 -21.451 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.127 -8.237 -22.076 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.851 -7.149 -23.285 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.751 -8.897 -23.607 1.00 0.00 H new ATOM 1383 N SER A 99 15.654 -10.736 -22.216 1.00 0.00 N ATOM 1384 CA SER A 99 15.722 -12.065 -21.638 1.00 0.00 C ATOM 1385 C SER A 99 16.894 -12.144 -20.666 1.00 0.00 C ATOM 1386 O SER A 99 16.769 -12.676 -19.564 1.00 0.00 O ATOM 1387 CB SER A 99 15.858 -13.118 -22.744 1.00 0.00 C ATOM 1388 OG SER A 99 15.765 -14.434 -22.223 1.00 0.00 O ATOM 0 H SER A 99 15.870 -10.694 -23.212 1.00 0.00 H new ATOM 0 HA SER A 99 14.801 -12.266 -21.090 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.079 -12.965 -23.491 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.815 -12.993 -23.251 1.00 0.00 H new ATOM 0 HG SER A 99 15.854 -15.082 -22.953 1.00 0.00 H new ATOM 1394 N ALA A 100 18.022 -11.576 -21.070 1.00 0.00 N ATOM 1395 CA ALA A 100 19.211 -11.565 -20.236 1.00 0.00 C ATOM 1396 C ALA A 100 19.018 -10.660 -19.023 1.00 0.00 C ATOM 1397 O ALA A 100 19.478 -10.972 -17.926 1.00 0.00 O ATOM 1398 CB ALA A 100 20.412 -11.108 -21.047 1.00 0.00 C ATOM 0 H ALA A 100 18.136 -11.116 -21.973 1.00 0.00 H new ATOM 0 HA ALA A 100 19.388 -12.579 -19.878 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.299 -11.103 -20.413 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.567 -11.790 -21.883 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.233 -10.103 -21.428 1.00 0.00 H new ATOM 1404 N MET A 101 18.322 -9.545 -19.226 1.00 0.00 N ATOM 1405 CA MET A 101 18.122 -8.556 -18.194 1.00 0.00 C ATOM 1406 C MET A 101 17.233 -9.094 -17.074 1.00 0.00 C ATOM 1407 O MET A 101 17.511 -8.884 -15.892 1.00 0.00 O ATOM 1408 CB MET A 101 17.509 -7.322 -18.835 1.00 0.00 C ATOM 1409 CG MET A 101 18.064 -6.033 -18.291 1.00 0.00 C ATOM 1410 SD MET A 101 17.650 -4.612 -19.316 1.00 0.00 S ATOM 1411 CE MET A 101 15.870 -4.757 -19.379 1.00 0.00 C ATOM 0 H MET A 101 17.883 -9.310 -20.116 1.00 0.00 H new ATOM 0 HA MET A 101 19.079 -8.301 -17.738 1.00 0.00 H new ATOM 0 HB2 MET A 101 17.678 -7.357 -19.911 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.430 -7.339 -18.682 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.680 -5.873 -17.283 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.148 -6.114 -18.210 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.476 -4.073 -20.130 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.597 -5.779 -19.641 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.450 -4.508 -18.405 1.00 0.00 H new ATOM 1421 N SER A 102 16.167 -9.792 -17.451 1.00 0.00 N ATOM 1422 CA SER A 102 15.281 -10.426 -16.482 1.00 0.00 C ATOM 1423 C SER A 102 16.052 -11.470 -15.677 1.00 0.00 C ATOM 1424 O SER A 102 15.970 -11.520 -14.450 1.00 0.00 O ATOM 1425 CB SER A 102 14.102 -11.081 -17.210 1.00 0.00 C ATOM 1426 OG SER A 102 13.172 -11.638 -16.299 1.00 0.00 O ATOM 0 H SER A 102 15.895 -9.933 -18.424 1.00 0.00 H new ATOM 0 HA SER A 102 14.897 -9.670 -15.797 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.602 -10.340 -17.834 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.472 -11.861 -17.875 1.00 0.00 H new ATOM 0 HG SER A 102 12.432 -12.046 -16.795 1.00 0.00 H new ATOM 1432 N ASN A 103 16.810 -12.286 -16.395 1.00 0.00 N ATOM 1433 CA ASN A 103 17.644 -13.324 -15.799 1.00 0.00 C ATOM 1434 C ASN A 103 18.656 -12.720 -14.826 1.00 0.00 C ATOM 1435 O ASN A 103 18.916 -13.275 -13.762 1.00 0.00 O ATOM 1436 CB ASN A 103 18.355 -14.081 -16.929 1.00 0.00 C ATOM 1437 CG ASN A 103 19.324 -15.142 -16.447 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.163 -15.720 -15.374 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.334 -15.419 -17.259 1.00 0.00 N ATOM 0 H ASN A 103 16.865 -12.248 -17.413 1.00 0.00 H new ATOM 0 HA ASN A 103 17.022 -14.013 -15.228 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.605 -14.551 -17.565 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.895 -13.365 -17.548 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.013 -16.135 -17.002 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.432 -14.916 -18.141 1.00 0.00 H new ATOM 1446 N ALA A 104 19.203 -11.567 -15.188 1.00 0.00 N ATOM 1447 CA ALA A 104 20.185 -10.881 -14.359 1.00 0.00 C ATOM 1448 C ALA A 104 19.584 -10.428 -13.035 1.00 0.00 C ATOM 1449 O ALA A 104 20.207 -10.568 -11.981 1.00 0.00 O ATOM 1450 CB ALA A 104 20.764 -9.697 -15.110 1.00 0.00 C ATOM 0 H ALA A 104 18.981 -11.084 -16.058 1.00 0.00 H new ATOM 0 HA ALA A 104 20.984 -11.587 -14.132 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.497 -9.191 -14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.247 -10.046 -16.022 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.964 -9.002 -15.366 1.00 0.00 H new ATOM 1456 N PHE A 105 18.368 -9.891 -13.080 1.00 0.00 N ATOM 1457 CA PHE A 105 17.698 -9.432 -11.868 1.00 0.00 C ATOM 1458 C PHE A 105 17.359 -10.634 -10.986 1.00 0.00 C ATOM 1459 O PHE A 105 17.282 -10.531 -9.757 1.00 0.00 O ATOM 1460 CB PHE A 105 16.436 -8.631 -12.218 1.00 0.00 C ATOM 1461 CG PHE A 105 16.098 -7.562 -11.215 1.00 0.00 C ATOM 1462 CD1 PHE A 105 17.054 -6.641 -10.817 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.828 -7.476 -10.671 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.750 -5.657 -9.896 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.517 -6.494 -9.750 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.480 -5.583 -9.361 1.00 0.00 C ATOM 0 H PHE A 105 17.830 -9.764 -13.937 1.00 0.00 H new ATOM 0 HA PHE A 105 18.366 -8.770 -11.317 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.570 -8.169 -13.196 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.593 -9.317 -12.302 1.00 0.00 H new ATOM 0 HD1 PHE A 105 18.050 -6.693 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.071 -8.185 -10.970 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.506 -4.946 -9.595 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.522 -6.439 -9.334 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.240 -4.815 -8.640 1.00 0.00 H new ATOM 1476 N LEU A 106 17.188 -11.782 -11.629 1.00 0.00 N ATOM 1477 CA LEU A 106 16.946 -13.036 -10.932 1.00 0.00 C ATOM 1478 C LEU A 106 18.186 -13.506 -10.171 1.00 0.00 C ATOM 1479 O LEU A 106 18.076 -14.163 -9.136 1.00 0.00 O ATOM 1480 CB LEU A 106 16.497 -14.102 -11.933 1.00 0.00 C ATOM 1481 CG LEU A 106 15.041 -13.989 -12.385 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.726 -15.035 -13.438 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.098 -14.126 -11.197 1.00 0.00 C ATOM 0 H LEU A 106 17.213 -11.869 -12.645 1.00 0.00 H new ATOM 0 HA LEU A 106 16.157 -12.872 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 106 17.140 -14.048 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.648 -15.085 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 106 14.896 -13.003 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.685 -14.938 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.376 -14.890 -14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.891 -16.030 -13.024 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.067 -14.043 -11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.246 -15.097 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.305 -13.336 -10.475 1.00 0.00 H new ATOM 1495 N GLN A 107 19.366 -13.149 -10.662 1.00 0.00 N ATOM 1496 CA GLN A 107 20.608 -13.596 -10.036 1.00 0.00 C ATOM 1497 C GLN A 107 21.108 -12.580 -9.018 1.00 0.00 C ATOM 1498 O GLN A 107 22.001 -12.871 -8.220 1.00 0.00 O ATOM 1499 CB GLN A 107 21.694 -13.832 -11.090 1.00 0.00 C ATOM 1500 CG GLN A 107 21.213 -14.621 -12.291 1.00 0.00 C ATOM 1501 CD GLN A 107 20.511 -15.908 -11.912 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.844 -16.555 -10.918 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.511 -16.268 -12.693 1.00 0.00 N ATOM 0 H GLN A 107 19.491 -12.557 -11.483 1.00 0.00 H new ATOM 0 HA GLN A 107 20.394 -14.534 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.076 -12.869 -11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.528 -14.361 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.533 -14.002 -12.877 1.00 0.00 H new ATOM 0 HG3 GLN A 107 22.064 -14.853 -12.931 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.270 -15.702 -13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.979 -17.113 -12.484 1.00 0.00 H new ATOM 1512 N THR A 108 20.535 -11.388 -9.045 1.00 0.00 N ATOM 1513 CA THR A 108 20.992 -10.314 -8.184 1.00 0.00 C ATOM 1514 C THR A 108 20.110 -10.155 -6.950 1.00 0.00 C ATOM 1515 O THR A 108 20.607 -9.899 -5.853 1.00 0.00 O ATOM 1516 CB THR A 108 21.054 -8.991 -8.960 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.871 -8.844 -9.753 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.280 -8.953 -9.858 1.00 0.00 C ATOM 0 H THR A 108 19.754 -11.142 -9.653 1.00 0.00 H new ATOM 0 HA THR A 108 21.993 -10.579 -7.844 1.00 0.00 H new ATOM 0 HB THR A 108 21.121 -8.170 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.933 -9.420 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.305 -8.007 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 108 23.180 -9.047 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.235 -9.777 -10.570 1.00 0.00 H new ATOM 1526 N THR A 109 18.806 -10.299 -7.126 1.00 0.00 N ATOM 1527 CA THR A 109 17.886 -10.167 -6.010 1.00 0.00 C ATOM 1528 C THR A 109 16.719 -11.158 -6.119 1.00 0.00 C ATOM 1529 O THR A 109 15.812 -11.159 -5.282 1.00 0.00 O ATOM 1530 CB THR A 109 17.370 -8.712 -5.904 1.00 0.00 C ATOM 1531 OG1 THR A 109 16.484 -8.565 -4.788 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.671 -8.290 -7.184 1.00 0.00 C ATOM 0 H THR A 109 18.365 -10.505 -8.022 1.00 0.00 H new ATOM 0 HA THR A 109 18.431 -10.408 -5.097 1.00 0.00 H new ATOM 0 HB THR A 109 18.233 -8.064 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 109 16.014 -9.410 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.318 -7.264 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.370 -8.354 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.823 -8.949 -7.370 1.00 0.00 H new ATOM 1540 N GLY A 110 16.755 -12.006 -7.146 1.00 0.00 N ATOM 1541 CA GLY A 110 15.763 -13.063 -7.287 1.00 0.00 C ATOM 1542 C GLY A 110 14.378 -12.550 -7.636 1.00 0.00 C ATOM 1543 O GLY A 110 13.375 -13.177 -7.294 1.00 0.00 O ATOM 0 H GLY A 110 17.456 -11.980 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.091 -13.757 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.709 -13.627 -6.356 1.00 0.00 H new ATOM 1547 N VAL A 111 14.315 -11.416 -8.320 1.00 0.00 N ATOM 1548 CA VAL A 111 13.038 -10.826 -8.707 1.00 0.00 C ATOM 1549 C VAL A 111 13.069 -10.460 -10.181 1.00 0.00 C ATOM 1550 O VAL A 111 14.139 -10.308 -10.764 1.00 0.00 O ATOM 1551 CB VAL A 111 12.715 -9.559 -7.869 1.00 0.00 C ATOM 1552 CG1 VAL A 111 11.295 -9.071 -8.125 1.00 0.00 C ATOM 1553 CG2 VAL A 111 12.922 -9.813 -6.383 1.00 0.00 C ATOM 0 H VAL A 111 15.133 -10.885 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 111 12.259 -11.565 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 111 13.408 -8.779 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.101 -8.183 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.179 -8.826 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 111 10.587 -9.854 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.688 -8.908 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 111 12.267 -10.621 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 111 13.960 -10.093 -6.203 1.00 0.00 H new ATOM 1563 N VAL A 112 11.900 -10.359 -10.785 1.00 0.00 N ATOM 1564 CA VAL A 112 11.790 -9.878 -12.146 1.00 0.00 C ATOM 1565 C VAL A 112 11.058 -8.545 -12.170 1.00 0.00 C ATOM 1566 O VAL A 112 9.846 -8.486 -11.949 1.00 0.00 O ATOM 1567 CB VAL A 112 11.051 -10.876 -13.064 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.915 -10.317 -14.475 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.771 -12.214 -13.088 1.00 0.00 C ATOM 0 H VAL A 112 11.010 -10.605 -10.351 1.00 0.00 H new ATOM 0 HA VAL A 112 12.805 -9.761 -12.525 1.00 0.00 H new ATOM 0 HB VAL A 112 10.050 -11.030 -12.661 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.391 -11.038 -15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.351 -9.385 -14.444 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.906 -10.128 -14.888 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.235 -12.904 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.785 -12.075 -13.462 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.810 -12.625 -12.079 1.00 0.00 H new ATOM 1579 N ASN A 113 11.791 -7.470 -12.415 1.00 0.00 N ATOM 1580 CA ASN A 113 11.177 -6.156 -12.518 1.00 0.00 C ATOM 1581 C ASN A 113 10.720 -5.923 -13.950 1.00 0.00 C ATOM 1582 O ASN A 113 11.416 -5.294 -14.749 1.00 0.00 O ATOM 1583 CB ASN A 113 12.143 -5.054 -12.065 1.00 0.00 C ATOM 1584 CG ASN A 113 11.469 -3.698 -11.916 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.538 -3.361 -12.649 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.925 -2.916 -10.949 1.00 0.00 N ATOM 0 H ASN A 113 12.803 -7.481 -12.545 1.00 0.00 H new ATOM 0 HA ASN A 113 10.312 -6.119 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.589 -5.339 -11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.956 -4.972 -12.786 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.503 -2.001 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.698 -3.229 -10.362 1.00 0.00 H new ATOM 1593 N GLN A 114 9.558 -6.479 -14.270 1.00 0.00 N ATOM 1594 CA GLN A 114 8.982 -6.369 -15.604 1.00 0.00 C ATOM 1595 C GLN A 114 8.733 -4.907 -16.011 1.00 0.00 C ATOM 1596 O GLN A 114 9.090 -4.528 -17.127 1.00 0.00 O ATOM 1597 CB GLN A 114 7.684 -7.184 -15.694 1.00 0.00 C ATOM 1598 CG GLN A 114 7.127 -7.303 -17.105 1.00 0.00 C ATOM 1599 CD GLN A 114 8.078 -8.020 -18.046 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.045 -9.245 -18.167 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.915 -7.263 -18.735 1.00 0.00 N ATOM 0 H GLN A 114 8.990 -7.017 -13.615 1.00 0.00 H new ATOM 0 HA GLN A 114 9.708 -6.778 -16.307 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.866 -8.184 -15.300 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.932 -6.722 -15.055 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.179 -7.839 -17.074 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.917 -6.307 -17.495 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.911 -6.251 -18.606 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.564 -7.691 -19.395 1.00 0.00 H new ATOM 1610 N PRO A 115 8.118 -4.063 -15.134 1.00 0.00 N ATOM 1611 CA PRO A 115 7.845 -2.648 -15.449 1.00 0.00 C ATOM 1612 C PRO A 115 9.026 -1.924 -16.094 1.00 0.00 C ATOM 1613 O PRO A 115 8.878 -1.311 -17.152 1.00 0.00 O ATOM 1614 CB PRO A 115 7.536 -2.041 -14.084 1.00 0.00 C ATOM 1615 CG PRO A 115 6.923 -3.156 -13.316 1.00 0.00 C ATOM 1616 CD PRO A 115 7.610 -4.412 -13.784 1.00 0.00 C ATOM 0 HA PRO A 115 7.041 -2.555 -16.179 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.440 -1.673 -13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.854 -1.195 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 115 7.060 -3.013 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.849 -3.209 -13.496 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.421 -4.696 -13.114 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.919 -5.254 -13.823 1.00 0.00 H new ATOM 1624 N PHE A 116 10.198 -2.021 -15.477 1.00 0.00 N ATOM 1625 CA PHE A 116 11.374 -1.322 -15.974 1.00 0.00 C ATOM 1626 C PHE A 116 11.869 -1.953 -17.263 1.00 0.00 C ATOM 1627 O PHE A 116 12.330 -1.259 -18.168 1.00 0.00 O ATOM 1628 CB PHE A 116 12.492 -1.317 -14.927 1.00 0.00 C ATOM 1629 CG PHE A 116 12.362 -0.221 -13.903 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.499 -0.349 -12.827 1.00 0.00 C ATOM 1631 CD2 PHE A 116 13.107 0.942 -14.021 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.382 0.659 -11.889 1.00 0.00 C ATOM 1633 CE2 PHE A 116 12.992 1.954 -13.086 1.00 0.00 C ATOM 1634 CZ PHE A 116 12.128 1.812 -12.020 1.00 0.00 C ATOM 0 H PHE A 116 10.358 -2.575 -14.635 1.00 0.00 H new ATOM 0 HA PHE A 116 11.087 -0.290 -16.177 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.502 -2.280 -14.416 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.451 -1.215 -15.434 1.00 0.00 H new ATOM 0 HD1 PHE A 116 10.910 -1.248 -12.720 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.785 1.059 -14.853 1.00 0.00 H new ATOM 0 HE1 PHE A 116 10.707 0.544 -11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 116 13.578 2.855 -13.190 1.00 0.00 H new ATOM 0 HZ PHE A 116 12.036 2.602 -11.289 1.00 0.00 H new ATOM 1644 N ILE A 117 11.756 -3.271 -17.354 1.00 0.00 N ATOM 1645 CA ILE A 117 12.175 -3.977 -18.551 1.00 0.00 C ATOM 1646 C ILE A 117 11.334 -3.534 -19.746 1.00 0.00 C ATOM 1647 O ILE A 117 11.839 -3.412 -20.866 1.00 0.00 O ATOM 1648 CB ILE A 117 12.088 -5.513 -18.382 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.061 -5.972 -17.291 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.382 -6.224 -19.699 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.236 -7.474 -17.206 1.00 0.00 C ATOM 0 H ILE A 117 11.380 -3.867 -16.617 1.00 0.00 H new ATOM 0 HA ILE A 117 13.221 -3.725 -18.728 1.00 0.00 H new ATOM 0 HB ILE A 117 11.073 -5.773 -18.083 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.034 -5.514 -17.471 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.709 -5.604 -16.328 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.315 -7.302 -19.553 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.656 -5.913 -20.450 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.386 -5.966 -20.036 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.940 -7.714 -16.409 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.274 -7.941 -16.993 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.620 -7.850 -18.154 1.00 0.00 H new ATOM 1663 N ASN A 118 10.057 -3.268 -19.495 1.00 0.00 N ATOM 1664 CA ASN A 118 9.151 -2.794 -20.538 1.00 0.00 C ATOM 1665 C ASN A 118 9.615 -1.448 -21.071 1.00 0.00 C ATOM 1666 O ASN A 118 9.691 -1.241 -22.279 1.00 0.00 O ATOM 1667 CB ASN A 118 7.720 -2.656 -20.004 1.00 0.00 C ATOM 1668 CG ASN A 118 7.150 -3.966 -19.498 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.526 -5.041 -19.961 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.232 -3.885 -18.549 1.00 0.00 N ATOM 0 H ASN A 118 9.624 -3.372 -18.577 1.00 0.00 H new ATOM 0 HA ASN A 118 9.160 -3.530 -21.342 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.708 -1.924 -19.196 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.078 -2.268 -20.795 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.809 -4.734 -18.175 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.947 -2.973 -18.191 1.00 0.00 H new ATOM 1677 N GLU A 119 9.935 -0.545 -20.154 1.00 0.00 N ATOM 1678 CA GLU A 119 10.350 0.807 -20.511 1.00 0.00 C ATOM 1679 C GLU A 119 11.642 0.781 -21.322 1.00 0.00 C ATOM 1680 O GLU A 119 11.701 1.323 -22.428 1.00 0.00 O ATOM 1681 CB GLU A 119 10.537 1.651 -19.249 1.00 0.00 C ATOM 1682 CG GLU A 119 9.331 1.615 -18.326 1.00 0.00 C ATOM 1683 CD GLU A 119 9.488 2.489 -17.099 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.390 2.223 -16.281 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.685 3.437 -16.940 1.00 0.00 O ATOM 0 H GLU A 119 9.915 -0.725 -19.150 1.00 0.00 H new ATOM 0 HA GLU A 119 9.569 1.255 -21.125 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.413 1.295 -18.707 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.737 2.683 -19.536 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.449 1.934 -18.880 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.154 0.587 -18.011 1.00 0.00 H new ATOM 1692 N ILE A 120 12.662 0.127 -20.772 1.00 0.00 N ATOM 1693 CA ILE A 120 13.975 0.059 -21.407 1.00 0.00 C ATOM 1694 C ILE A 120 13.899 -0.523 -22.822 1.00 0.00 C ATOM 1695 O ILE A 120 14.428 0.069 -23.760 1.00 0.00 O ATOM 1696 CB ILE A 120 14.983 -0.758 -20.548 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.645 0.132 -19.486 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.055 -1.413 -21.413 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.697 0.692 -18.448 1.00 0.00 C ATOM 0 H ILE A 120 12.603 -0.367 -19.881 1.00 0.00 H new ATOM 0 HA ILE A 120 14.335 1.085 -21.483 1.00 0.00 H new ATOM 0 HB ILE A 120 14.417 -1.545 -20.050 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.418 -0.445 -18.978 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.144 0.961 -19.987 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.741 -1.975 -20.779 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.584 -2.089 -22.126 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.607 -0.644 -21.953 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.254 1.307 -17.741 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.938 1.301 -18.939 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.216 -0.128 -17.915 1.00 0.00 H new ATOM 1711 N THR A 121 13.218 -1.658 -22.980 1.00 0.00 N ATOM 1712 CA THR A 121 13.189 -2.362 -24.264 1.00 0.00 C ATOM 1713 C THR A 121 12.612 -1.502 -25.383 1.00 0.00 C ATOM 1714 O THR A 121 13.095 -1.545 -26.518 1.00 0.00 O ATOM 1715 CB THR A 121 12.397 -3.679 -24.172 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.134 -3.451 -23.539 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.180 -4.725 -23.400 1.00 0.00 C ATOM 0 H THR A 121 12.681 -2.109 -22.239 1.00 0.00 H new ATOM 0 HA THR A 121 14.228 -2.587 -24.505 1.00 0.00 H new ATOM 0 HB THR A 121 12.229 -4.049 -25.184 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.251 -3.449 -22.566 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.601 -5.647 -23.347 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.126 -4.918 -23.906 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.376 -4.362 -22.391 1.00 0.00 H new ATOM 1725 N GLN A 122 11.591 -0.717 -25.067 1.00 0.00 N ATOM 1726 CA GLN A 122 10.976 0.155 -26.059 1.00 0.00 C ATOM 1727 C GLN A 122 11.961 1.241 -26.479 1.00 0.00 C ATOM 1728 O GLN A 122 12.062 1.592 -27.656 1.00 0.00 O ATOM 1729 CB GLN A 122 9.699 0.801 -25.511 1.00 0.00 C ATOM 1730 CG GLN A 122 8.691 -0.183 -24.931 1.00 0.00 C ATOM 1731 CD GLN A 122 8.352 -1.323 -25.871 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.460 -1.208 -26.712 1.00 0.00 O ATOM 1733 NE2 GLN A 122 9.034 -2.448 -25.708 1.00 0.00 N ATOM 0 H GLN A 122 11.173 -0.666 -24.138 1.00 0.00 H new ATOM 0 HA GLN A 122 10.710 -0.452 -26.924 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.973 1.519 -24.738 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.219 1.363 -26.312 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.088 -0.593 -24.003 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.776 0.353 -24.677 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.766 -2.503 -25.000 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.827 -3.259 -26.291 1.00 0.00 H new ATOM 1742 N LEU A 123 12.703 1.744 -25.503 1.00 0.00 N ATOM 1743 CA LEU A 123 13.665 2.808 -25.733 1.00 0.00 C ATOM 1744 C LEU A 123 14.857 2.302 -26.532 1.00 0.00 C ATOM 1745 O LEU A 123 15.370 3.015 -27.387 1.00 0.00 O ATOM 1746 CB LEU A 123 14.125 3.392 -24.397 1.00 0.00 C ATOM 1747 CG LEU A 123 13.008 3.934 -23.501 1.00 0.00 C ATOM 1748 CD1 LEU A 123 13.576 4.400 -22.173 1.00 0.00 C ATOM 1749 CD2 LEU A 123 12.266 5.070 -24.188 1.00 0.00 C ATOM 0 H LEU A 123 12.655 1.427 -24.535 1.00 0.00 H new ATOM 0 HA LEU A 123 13.181 3.592 -26.315 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.666 2.621 -23.849 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.832 4.197 -24.595 1.00 0.00 H new ATOM 0 HG LEU A 123 12.299 3.128 -23.315 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.770 4.783 -21.547 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.060 3.563 -21.670 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.307 5.190 -22.347 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.477 5.439 -23.532 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.963 5.879 -24.408 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.826 4.708 -25.117 1.00 0.00 H new ATOM 1761 N VAL A 124 15.288 1.070 -26.258 1.00 0.00 N ATOM 1762 CA VAL A 124 16.383 0.454 -27.009 1.00 0.00 C ATOM 1763 C VAL A 124 16.099 0.528 -28.497 1.00 0.00 C ATOM 1764 O VAL A 124 16.839 1.149 -29.259 1.00 0.00 O ATOM 1765 CB VAL A 124 16.572 -1.033 -26.654 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.765 -1.613 -27.404 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.745 -1.227 -25.157 1.00 0.00 C ATOM 0 H VAL A 124 14.897 0.480 -25.524 1.00 0.00 H new ATOM 0 HA VAL A 124 17.286 1.005 -26.745 1.00 0.00 H new ATOM 0 HB VAL A 124 15.671 -1.565 -26.960 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.884 -2.664 -27.141 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.598 -1.524 -28.477 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.667 -1.066 -27.130 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.876 -2.287 -24.940 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.622 -0.676 -24.818 1.00 0.00 H new ATOM 0 HG23 VAL A 124 15.861 -0.857 -24.638 1.00 0.00 H new ATOM 1777 N SER A 125 15.008 -0.111 -28.886 1.00 0.00 N ATOM 1778 CA SER A 125 14.575 -0.157 -30.264 1.00 0.00 C ATOM 1779 C SER A 125 14.443 1.243 -30.868 1.00 0.00 C ATOM 1780 O SER A 125 14.915 1.493 -31.981 1.00 0.00 O ATOM 1781 CB SER A 125 13.244 -0.891 -30.310 1.00 0.00 C ATOM 1782 OG SER A 125 13.415 -2.281 -30.114 1.00 0.00 O ATOM 0 H SER A 125 14.396 -0.615 -28.245 1.00 0.00 H new ATOM 0 HA SER A 125 15.322 -0.681 -30.861 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.580 -0.493 -29.543 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.762 -0.714 -31.272 1.00 0.00 H new ATOM 0 HG SER A 125 13.488 -2.470 -29.155 1.00 0.00 H new ATOM 1788 N MET A 126 13.820 2.152 -30.125 1.00 0.00 N ATOM 1789 CA MET A 126 13.598 3.511 -30.600 1.00 0.00 C ATOM 1790 C MET A 126 14.920 4.255 -30.791 1.00 0.00 C ATOM 1791 O MET A 126 15.180 4.813 -31.856 1.00 0.00 O ATOM 1792 CB MET A 126 12.714 4.274 -29.615 1.00 0.00 C ATOM 1793 CG MET A 126 12.369 5.679 -30.077 1.00 0.00 C ATOM 1794 SD MET A 126 11.373 6.587 -28.881 1.00 0.00 S ATOM 1795 CE MET A 126 12.524 6.705 -27.517 1.00 0.00 C ATOM 0 H MET A 126 13.459 1.970 -29.188 1.00 0.00 H new ATOM 0 HA MET A 126 13.097 3.450 -31.566 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.792 3.715 -29.457 1.00 0.00 H new ATOM 0 HB3 MET A 126 13.221 4.331 -28.652 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.290 6.230 -30.267 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.830 5.623 -31.023 1.00 0.00 H new ATOM 0 HE1 MET A 126 12.173 7.455 -26.808 1.00 0.00 H new ATOM 0 HE2 MET A 126 12.596 5.739 -27.017 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.506 6.993 -27.893 1.00 0.00 H new ATOM 1805 N PHE A 127 15.755 4.241 -29.759 1.00 0.00 N ATOM 1806 CA PHE A 127 17.029 4.955 -29.785 1.00 0.00 C ATOM 1807 C PHE A 127 17.987 4.351 -30.812 1.00 0.00 C ATOM 1808 O PHE A 127 18.783 5.064 -31.421 1.00 0.00 O ATOM 1809 CB PHE A 127 17.671 4.963 -28.390 1.00 0.00 C ATOM 1810 CG PHE A 127 17.125 6.022 -27.476 1.00 0.00 C ATOM 1811 CD1 PHE A 127 17.399 7.361 -27.705 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.346 5.683 -26.382 1.00 0.00 C ATOM 1813 CE1 PHE A 127 16.905 8.338 -26.861 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.849 6.655 -25.536 1.00 0.00 C ATOM 1815 CZ PHE A 127 16.128 7.984 -25.776 1.00 0.00 C ATOM 0 H PHE A 127 15.573 3.741 -28.889 1.00 0.00 H new ATOM 0 HA PHE A 127 16.827 5.984 -30.083 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.525 3.987 -27.928 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.746 5.107 -28.496 1.00 0.00 H new ATOM 0 HD1 PHE A 127 18.005 7.644 -28.553 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.124 4.644 -26.188 1.00 0.00 H new ATOM 0 HE1 PHE A 127 17.127 9.378 -27.050 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.243 6.375 -24.687 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.740 8.746 -25.117 1.00 0.00 H new ATOM 1825 N ALA A 128 17.899 3.040 -31.009 1.00 0.00 N ATOM 1826 CA ALA A 128 18.732 2.360 -31.993 1.00 0.00 C ATOM 1827 C ALA A 128 18.380 2.814 -33.406 1.00 0.00 C ATOM 1828 O ALA A 128 19.254 3.211 -34.181 1.00 0.00 O ATOM 1829 CB ALA A 128 18.579 0.851 -31.869 1.00 0.00 C ATOM 0 H ALA A 128 17.260 2.428 -30.501 1.00 0.00 H new ATOM 0 HA ALA A 128 19.772 2.622 -31.797 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.208 0.359 -32.611 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.882 0.535 -30.871 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.538 0.576 -32.036 1.00 0.00 H new ATOM 1835 N GLN A 129 17.091 2.771 -33.729 1.00 0.00 N ATOM 1836 CA GLN A 129 16.615 3.159 -35.051 1.00 0.00 C ATOM 1837 C GLN A 129 16.835 4.648 -35.307 1.00 0.00 C ATOM 1838 O GLN A 129 17.142 5.053 -36.429 1.00 0.00 O ATOM 1839 CB GLN A 129 15.132 2.819 -35.186 1.00 0.00 C ATOM 1840 CG GLN A 129 14.861 1.332 -35.337 1.00 0.00 C ATOM 1841 CD GLN A 129 15.085 0.843 -36.756 1.00 0.00 C ATOM 1842 OE1 GLN A 129 14.168 0.840 -37.574 1.00 0.00 O ATOM 1843 NE2 GLN A 129 16.305 0.427 -37.058 1.00 0.00 N ATOM 0 H GLN A 129 16.355 2.470 -33.090 1.00 0.00 H new ATOM 0 HA GLN A 129 17.186 2.603 -35.794 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.601 3.189 -34.309 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.725 3.344 -36.050 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.508 0.777 -34.658 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.833 1.121 -35.041 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.040 0.445 -36.351 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.510 0.088 -37.998 1.00 0.00 H new