USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=39 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 103 ASN : amide:sc= 0.582 K(o=1,f=-1.4) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.456 K(o=1,f=-1) USER MOD Set 2.1: A 30 MET CE :methyl 173:sc=-0.00951 (180deg=-0.00403) USER MOD Set 2.2: A 99 SER OG : rot -79:sc= 0.574 USER MOD Set 3.1: A 89 SER OG : rot 31:sc= 0.178 USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 67 GLN : amide:sc= -1.06 K(o=-1.8,f=-3.1!) USER MOD Set 4.2: A 71 MET CE :methyl -168:sc= -0.767 (180deg=-0.914) USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.326 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.989 K(o=-0.99,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= 1.09 K(o=1.1,f=-0.16) USER MOD Single : A 20 MET CE :methyl -146:sc= -0.088 (180deg=-1.51) USER MOD Single : A 21 ASN : amide:sc= 1.24 K(o=1.2,f=-0.037) USER MOD Single : A 22 SER OG : rot 81:sc= 0.305 USER MOD Single : A 24 MET CE :methyl 154:sc= -1.92 (180deg=-3.64!) USER MOD Single : A 25 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.37) USER MOD Single : A 28 SER OG : rot -81:sc= 1.06 USER MOD Single : A 29 SER OG : rot 89:sc= 0.0459 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 37 GLN : amide:sc= 0.18 K(o=0.18,f=-3.1!) USER MOD Single : A 41 MET CE :methyl -145:sc= -0.319 (180deg=-1.9) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.533 USER MOD Single : A 46 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.23) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -113:sc= -0.499 (180deg=-1.15) USER MOD Single : A 50 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.21) USER MOD Single : A 51 SER OG : rot 86:sc= 1.14 USER MOD Single : A 53 GLN : amide:sc= -0.986 K(o=-0.99,f=-4.7!) USER MOD Single : A 54 SER OG : rot 73:sc= 0.158 USER MOD Single : A 58 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.034) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 62 SER OG : rot 1:sc= 0.569 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0.979 (180deg=0.214) USER MOD Single : A 70 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.77) USER MOD Single : A 75 SER OG : rot -79:sc= -0.0117 USER MOD Single : A 76 SER OG : rot -95:sc= 1.25 USER MOD Single : A 77 MET CE :methyl -171:sc= -0.683 (180deg=-0.87) USER MOD Single : A 91 SER OG : rot 180:sc= 0.032 USER MOD Single : A 93 LYS NZ :NH3+ -117:sc= 1.74 (180deg=-0.152) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 70:sc= 1.05 USER MOD Single : A 101 MET CE :methyl -176:sc= -2.67 (180deg=-2.68) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 108 THR OG1 : rot -78:sc= -1.29! USER MOD Single : A 109 THR OG1 : rot -50:sc= 1.24 USER MOD Single : A 113 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.5!) USER MOD Single : A 114 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.12) USER MOD Single : A 118 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.92) USER MOD Single : A 121 THR OG1 : rot -5:sc= 0.817 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 159:sc= -0.125 (180deg=-0.736) USER MOD Single : A 129 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.697 -0.587 -7.524 1.00 0.00 N ATOM 82 CA THR A 8 15.305 -0.369 -8.827 1.00 0.00 C ATOM 83 C THR A 8 16.708 -0.986 -8.814 1.00 0.00 C ATOM 84 O THR A 8 17.363 -0.978 -7.777 1.00 0.00 O ATOM 85 CB THR A 8 15.403 1.149 -9.134 1.00 0.00 C ATOM 86 OG1 THR A 8 14.190 1.809 -8.746 1.00 0.00 O ATOM 87 CG2 THR A 8 15.649 1.420 -10.609 1.00 0.00 C ATOM 0 HA THR A 8 14.692 -0.834 -9.599 1.00 0.00 H new ATOM 0 HB THR A 8 16.249 1.534 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.803 1.353 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.710 2.495 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.585 0.951 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.829 1.008 -11.196 1.00 0.00 H new ATOM 95 N PRO A 9 17.179 -1.550 -9.938 1.00 0.00 N ATOM 96 CA PRO A 9 18.520 -2.157 -10.029 1.00 0.00 C ATOM 97 C PRO A 9 19.648 -1.180 -9.682 1.00 0.00 C ATOM 98 O PRO A 9 20.782 -1.588 -9.447 1.00 0.00 O ATOM 99 CB PRO A 9 18.628 -2.596 -11.498 1.00 0.00 C ATOM 100 CG PRO A 9 17.533 -1.873 -12.211 1.00 0.00 C ATOM 101 CD PRO A 9 16.441 -1.674 -11.199 1.00 0.00 C ATOM 0 HA PRO A 9 18.630 -2.973 -9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.603 -2.340 -11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.513 -3.676 -11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.885 -0.917 -12.599 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.175 -2.450 -13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.852 -0.782 -11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.749 -2.516 -11.181 1.00 0.00 H new ATOM 109 N TRP A 10 19.326 0.108 -9.638 1.00 0.00 N ATOM 110 CA TRP A 10 20.313 1.136 -9.331 1.00 0.00 C ATOM 111 C TRP A 10 20.181 1.564 -7.868 1.00 0.00 C ATOM 112 O TRP A 10 20.647 2.630 -7.475 1.00 0.00 O ATOM 113 CB TRP A 10 20.115 2.355 -10.243 1.00 0.00 C ATOM 114 CG TRP A 10 19.753 2.022 -11.667 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.729 2.568 -12.389 1.00 0.00 C ATOM 116 CD2 TRP A 10 20.395 1.076 -12.540 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.692 2.023 -13.649 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.702 1.105 -13.766 1.00 0.00 C ATOM 119 CE3 TRP A 10 21.483 0.208 -12.403 1.00 0.00 C ATOM 120 CZ2 TRP A 10 20.063 0.304 -14.847 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.840 -0.586 -13.477 1.00 0.00 C ATOM 122 CH2 TRP A 10 21.130 -0.535 -14.684 1.00 0.00 C ATOM 0 H TRP A 10 18.387 0.465 -9.812 1.00 0.00 H new ATOM 0 HA TRP A 10 21.308 0.725 -9.500 1.00 0.00 H new ATOM 0 HB2 TRP A 10 19.332 2.984 -9.821 1.00 0.00 H new ATOM 0 HB3 TRP A 10 21.032 2.944 -10.244 1.00 0.00 H new ATOM 0 HD1 TRP A 10 18.047 3.320 -12.021 1.00 0.00 H new ATOM 0 HE1 TRP A 10 18.021 2.263 -14.379 1.00 0.00 H new ATOM 0 HE3 TRP A 10 22.034 0.159 -11.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.520 0.344 -15.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.681 -1.257 -13.384 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.432 -1.172 -15.502 1.00 0.00 H new ATOM 133 N THR A 11 19.547 0.715 -7.071 1.00 0.00 N ATOM 134 CA THR A 11 19.227 1.039 -5.684 1.00 0.00 C ATOM 135 C THR A 11 20.468 1.094 -4.796 1.00 0.00 C ATOM 136 O THR A 11 20.534 1.889 -3.858 1.00 0.00 O ATOM 137 CB THR A 11 18.223 0.018 -5.101 1.00 0.00 C ATOM 138 OG1 THR A 11 17.820 0.402 -3.782 1.00 0.00 O ATOM 139 CG2 THR A 11 18.811 -1.388 -5.063 1.00 0.00 C ATOM 0 H THR A 11 19.241 -0.213 -7.363 1.00 0.00 H new ATOM 0 HA THR A 11 18.778 2.032 -5.694 1.00 0.00 H new ATOM 0 HB THR A 11 17.353 0.011 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.184 -0.255 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.077 -2.078 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.072 -1.701 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.706 -1.392 -4.440 1.00 0.00 H new ATOM 147 N ASN A 12 21.447 0.253 -5.086 1.00 0.00 N ATOM 148 CA ASN A 12 22.629 0.157 -4.245 1.00 0.00 C ATOM 149 C ASN A 12 23.852 -0.171 -5.081 1.00 0.00 C ATOM 150 O ASN A 12 23.741 -0.811 -6.130 1.00 0.00 O ATOM 151 CB ASN A 12 22.434 -0.926 -3.180 1.00 0.00 C ATOM 152 CG ASN A 12 22.815 -0.466 -1.786 1.00 0.00 C ATOM 153 OD1 ASN A 12 22.727 0.716 -1.459 1.00 0.00 O ATOM 154 ND2 ASN A 12 23.227 -1.402 -0.947 1.00 0.00 N ATOM 0 H ASN A 12 21.447 -0.370 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 12 22.780 1.120 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.391 -1.242 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.032 -1.798 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 12 23.485 -1.153 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.287 -2.373 -1.255 1.00 0.00 H new ATOM 161 N PRO A 13 25.028 0.286 -4.633 1.00 0.00 N ATOM 162 CA PRO A 13 26.306 -0.057 -5.258 1.00 0.00 C ATOM 163 C PRO A 13 26.483 -1.562 -5.377 1.00 0.00 C ATOM 164 O PRO A 13 26.767 -2.080 -6.453 1.00 0.00 O ATOM 165 CB PRO A 13 27.337 0.522 -4.290 1.00 0.00 C ATOM 166 CG PRO A 13 26.628 1.624 -3.588 1.00 0.00 C ATOM 167 CD PRO A 13 25.197 1.199 -3.492 1.00 0.00 C ATOM 0 HA PRO A 13 26.391 0.332 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.686 -0.234 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 13 28.214 0.892 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.052 1.792 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.721 2.560 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.990 0.700 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.521 2.051 -3.557 1.00 0.00 H new ATOM 175 N GLY A 14 26.270 -2.260 -4.265 1.00 0.00 N ATOM 176 CA GLY A 14 26.383 -3.708 -4.247 1.00 0.00 C ATOM 177 C GLY A 14 25.136 -4.381 -4.788 1.00 0.00 C ATOM 178 O GLY A 14 24.653 -5.364 -4.227 1.00 0.00 O ATOM 0 H GLY A 14 26.019 -1.844 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.246 -4.012 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.563 -4.045 -3.226 1.00 0.00 H new ATOM 182 N LEU A 15 24.608 -3.824 -5.864 1.00 0.00 N ATOM 183 CA LEU A 15 23.437 -4.357 -6.533 1.00 0.00 C ATOM 184 C LEU A 15 23.622 -4.167 -8.030 1.00 0.00 C ATOM 185 O LEU A 15 23.570 -5.118 -8.812 1.00 0.00 O ATOM 186 CB LEU A 15 22.184 -3.605 -6.052 1.00 0.00 C ATOM 187 CG LEU A 15 20.826 -4.294 -6.268 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.542 -4.559 -7.738 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.747 -5.583 -5.464 1.00 0.00 C ATOM 0 H LEU A 15 24.984 -2.982 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 15 23.313 -5.416 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.297 -3.407 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.156 -2.638 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 15 20.057 -3.609 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.572 -5.046 -7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.532 -3.615 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.318 -5.206 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.779 -6.056 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.541 -6.259 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.864 -5.358 -4.404 1.00 0.00 H new ATOM 201 N ALA A 16 23.852 -2.914 -8.403 1.00 0.00 N ATOM 202 CA ALA A 16 24.052 -2.525 -9.794 1.00 0.00 C ATOM 203 C ALA A 16 25.145 -3.345 -10.483 1.00 0.00 C ATOM 204 O ALA A 16 24.986 -3.750 -11.636 1.00 0.00 O ATOM 205 CB ALA A 16 24.386 -1.046 -9.871 1.00 0.00 C ATOM 0 H ALA A 16 23.905 -2.135 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 16 23.121 -2.725 -10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.535 -0.760 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.566 -0.465 -9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.298 -0.849 -9.307 1.00 0.00 H new ATOM 211 N GLU A 17 26.253 -3.591 -9.789 1.00 0.00 N ATOM 212 CA GLU A 17 27.366 -4.313 -10.385 1.00 0.00 C ATOM 213 C GLU A 17 27.047 -5.800 -10.549 1.00 0.00 C ATOM 214 O GLU A 17 27.455 -6.421 -11.529 1.00 0.00 O ATOM 215 CB GLU A 17 28.664 -4.087 -9.591 1.00 0.00 C ATOM 216 CG GLU A 17 28.499 -3.969 -8.080 1.00 0.00 C ATOM 217 CD GLU A 17 28.076 -5.259 -7.419 1.00 0.00 C ATOM 218 OE1 GLU A 17 28.952 -6.112 -7.156 1.00 0.00 O ATOM 219 OE2 GLU A 17 26.866 -5.429 -7.165 1.00 0.00 O ATOM 0 H GLU A 17 26.401 -3.303 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 17 27.525 -3.911 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.346 -4.911 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.140 -3.178 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.442 -3.638 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.759 -3.198 -7.862 1.00 0.00 H new ATOM 226 N ASN A 18 26.302 -6.363 -9.605 1.00 0.00 N ATOM 227 CA ASN A 18 25.833 -7.736 -9.715 1.00 0.00 C ATOM 228 C ASN A 18 24.875 -7.871 -10.890 1.00 0.00 C ATOM 229 O ASN A 18 24.884 -8.877 -11.606 1.00 0.00 O ATOM 230 CB ASN A 18 25.133 -8.173 -8.427 1.00 0.00 C ATOM 231 CG ASN A 18 26.065 -8.812 -7.411 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.284 -10.021 -7.437 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.622 -8.015 -6.513 1.00 0.00 N ATOM 0 H ASN A 18 26.010 -5.886 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 18 26.697 -8.379 -9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.654 -7.306 -7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.342 -8.880 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.256 -8.400 -5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.417 -7.016 -6.521 1.00 0.00 H new ATOM 240 N PHE A 19 24.056 -6.842 -11.085 1.00 0.00 N ATOM 241 CA PHE A 19 23.137 -6.789 -12.212 1.00 0.00 C ATOM 242 C PHE A 19 23.920 -6.802 -13.520 1.00 0.00 C ATOM 243 O PHE A 19 23.652 -7.613 -14.400 1.00 0.00 O ATOM 244 CB PHE A 19 22.255 -5.531 -12.124 1.00 0.00 C ATOM 245 CG PHE A 19 21.265 -5.373 -13.254 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.002 -5.947 -13.181 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.594 -4.637 -14.386 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.092 -5.791 -14.216 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.686 -4.482 -15.419 1.00 0.00 C ATOM 250 CZ PHE A 19 19.438 -5.058 -15.332 1.00 0.00 C ATOM 0 H PHE A 19 24.012 -6.029 -10.471 1.00 0.00 H new ATOM 0 HA PHE A 19 22.489 -7.665 -12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.709 -5.552 -11.181 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.900 -4.653 -12.099 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.726 -6.521 -12.309 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.570 -4.180 -14.461 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.113 -6.243 -14.148 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.956 -3.909 -16.294 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.730 -4.936 -16.138 1.00 0.00 H new ATOM 260 N MET A 20 24.910 -5.921 -13.623 1.00 0.00 N ATOM 261 CA MET A 20 25.710 -5.799 -14.839 1.00 0.00 C ATOM 262 C MET A 20 26.536 -7.054 -15.100 1.00 0.00 C ATOM 263 O MET A 20 26.733 -7.449 -16.250 1.00 0.00 O ATOM 264 CB MET A 20 26.626 -4.577 -14.761 1.00 0.00 C ATOM 265 CG MET A 20 25.880 -3.255 -14.810 1.00 0.00 C ATOM 266 SD MET A 20 24.891 -3.071 -16.309 1.00 0.00 S ATOM 267 CE MET A 20 24.282 -1.400 -16.114 1.00 0.00 C ATOM 0 H MET A 20 25.179 -5.279 -12.877 1.00 0.00 H new ATOM 0 HA MET A 20 25.017 -5.674 -15.671 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.204 -4.625 -13.838 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.338 -4.614 -15.585 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.230 -3.176 -13.938 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.596 -2.435 -14.749 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.279 -1.327 -16.534 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.252 -1.145 -15.055 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.944 -0.708 -16.635 1.00 0.00 H new ATOM 277 N ASN A 21 27.019 -7.683 -14.034 1.00 0.00 N ATOM 278 CA ASN A 21 27.781 -8.912 -14.162 1.00 0.00 C ATOM 279 C ASN A 21 26.924 -10.011 -14.774 1.00 0.00 C ATOM 280 O ASN A 21 27.288 -10.602 -15.791 1.00 0.00 O ATOM 281 CB ASN A 21 28.312 -9.355 -12.803 1.00 0.00 C ATOM 282 CG ASN A 21 29.721 -8.863 -12.534 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.696 -9.516 -12.898 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.841 -7.714 -11.889 1.00 0.00 N ATOM 0 H ASN A 21 26.895 -7.360 -13.075 1.00 0.00 H new ATOM 0 HA ASN A 21 28.627 -8.722 -14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.648 -8.987 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.296 -10.444 -12.749 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.767 -7.342 -11.678 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.008 -7.200 -11.603 1.00 0.00 H new ATOM 291 N SER A 22 25.771 -10.260 -14.164 1.00 0.00 N ATOM 292 CA SER A 22 24.846 -11.258 -14.651 1.00 0.00 C ATOM 293 C SER A 22 24.303 -10.864 -16.023 1.00 0.00 C ATOM 294 O SER A 22 24.005 -11.721 -16.856 1.00 0.00 O ATOM 295 CB SER A 22 23.713 -11.407 -13.645 1.00 0.00 C ATOM 296 OG SER A 22 24.216 -11.737 -12.358 1.00 0.00 O ATOM 0 H SER A 22 25.459 -9.775 -13.323 1.00 0.00 H new ATOM 0 HA SER A 22 25.362 -12.212 -14.762 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.146 -10.478 -13.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.024 -12.182 -13.980 1.00 0.00 H new ATOM 0 HG SER A 22 24.525 -10.923 -11.909 1.00 0.00 H new ATOM 302 N PHE A 23 24.188 -9.559 -16.249 1.00 0.00 N ATOM 303 CA PHE A 23 23.753 -9.027 -17.531 1.00 0.00 C ATOM 304 C PHE A 23 24.691 -9.480 -18.643 1.00 0.00 C ATOM 305 O PHE A 23 24.246 -10.016 -19.653 1.00 0.00 O ATOM 306 CB PHE A 23 23.691 -7.497 -17.475 1.00 0.00 C ATOM 307 CG PHE A 23 23.281 -6.850 -18.767 1.00 0.00 C ATOM 308 CD1 PHE A 23 22.014 -7.050 -19.287 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.166 -6.039 -19.459 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.635 -6.452 -20.474 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.793 -5.438 -20.645 1.00 0.00 C ATOM 312 CZ PHE A 23 22.527 -5.644 -21.154 1.00 0.00 C ATOM 0 H PHE A 23 24.393 -8.845 -15.550 1.00 0.00 H new ATOM 0 HA PHE A 23 22.755 -9.410 -17.746 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.990 -7.201 -16.695 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.670 -7.115 -17.185 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.314 -7.680 -18.759 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.159 -5.875 -19.066 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.644 -6.616 -20.870 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.492 -4.807 -21.174 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.234 -5.175 -22.082 1.00 0.00 H new ATOM 322 N MET A 24 25.989 -9.286 -18.439 1.00 0.00 N ATOM 323 CA MET A 24 26.989 -9.673 -19.431 1.00 0.00 C ATOM 324 C MET A 24 27.044 -11.190 -19.589 1.00 0.00 C ATOM 325 O MET A 24 27.160 -11.703 -20.702 1.00 0.00 O ATOM 326 CB MET A 24 28.372 -9.146 -19.039 1.00 0.00 C ATOM 327 CG MET A 24 28.510 -7.627 -19.074 1.00 0.00 C ATOM 328 SD MET A 24 28.897 -6.968 -20.715 1.00 0.00 S ATOM 329 CE MET A 24 27.337 -7.147 -21.581 1.00 0.00 C ATOM 0 H MET A 24 26.375 -8.863 -17.595 1.00 0.00 H new ATOM 0 HA MET A 24 26.697 -9.232 -20.384 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.607 -9.495 -18.034 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.114 -9.580 -19.709 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.581 -7.179 -18.722 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.293 -7.326 -18.378 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.277 -6.407 -22.379 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.271 -8.148 -22.008 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.514 -6.995 -20.883 1.00 0.00 H new ATOM 339 N GLN A 25 26.954 -11.904 -18.474 1.00 0.00 N ATOM 340 CA GLN A 25 26.989 -13.363 -18.491 1.00 0.00 C ATOM 341 C GLN A 25 25.776 -13.937 -19.211 1.00 0.00 C ATOM 342 O GLN A 25 25.852 -15.001 -19.825 1.00 0.00 O ATOM 343 CB GLN A 25 27.067 -13.905 -17.069 1.00 0.00 C ATOM 344 CG GLN A 25 28.370 -13.557 -16.372 1.00 0.00 C ATOM 345 CD GLN A 25 29.567 -14.217 -17.032 1.00 0.00 C ATOM 346 OE1 GLN A 25 30.167 -13.665 -17.955 1.00 0.00 O ATOM 347 NE2 GLN A 25 29.925 -15.403 -16.564 1.00 0.00 N ATOM 0 H GLN A 25 26.856 -11.496 -17.544 1.00 0.00 H new ATOM 0 HA GLN A 25 27.880 -13.672 -19.038 1.00 0.00 H new ATOM 0 HB2 GLN A 25 26.234 -13.508 -16.489 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.952 -14.989 -17.092 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.505 -12.475 -16.377 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.316 -13.867 -15.328 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.403 -15.828 -15.798 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.723 -15.892 -16.970 1.00 0.00 H new ATOM 356 N GLY A 26 24.655 -13.239 -19.123 1.00 0.00 N ATOM 357 CA GLY A 26 23.487 -13.622 -19.886 1.00 0.00 C ATOM 358 C GLY A 26 23.601 -13.179 -21.332 1.00 0.00 C ATOM 359 O GLY A 26 23.283 -13.931 -22.249 1.00 0.00 O ATOM 0 H GLY A 26 24.533 -12.414 -18.536 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.362 -14.704 -19.844 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.597 -13.181 -19.438 1.00 0.00 H new ATOM 363 N LEU A 27 24.090 -11.957 -21.520 1.00 0.00 N ATOM 364 CA LEU A 27 24.233 -11.350 -22.843 1.00 0.00 C ATOM 365 C LEU A 27 25.148 -12.187 -23.741 1.00 0.00 C ATOM 366 O LEU A 27 24.910 -12.309 -24.939 1.00 0.00 O ATOM 367 CB LEU A 27 24.798 -9.929 -22.686 1.00 0.00 C ATOM 368 CG LEU A 27 24.103 -8.818 -23.487 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.273 -9.031 -24.975 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.625 -8.727 -23.127 1.00 0.00 C ATOM 0 H LEU A 27 24.400 -11.356 -20.757 1.00 0.00 H new ATOM 0 HA LEU A 27 23.253 -11.308 -23.318 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.759 -9.662 -21.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.850 -9.947 -22.972 1.00 0.00 H new ATOM 0 HG LEU A 27 24.578 -7.874 -23.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.771 -8.230 -25.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.334 -9.028 -25.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.837 -9.989 -25.258 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.157 -7.933 -23.708 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.137 -9.676 -23.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.522 -8.508 -22.064 1.00 0.00 H new ATOM 382 N SER A 28 26.181 -12.783 -23.150 1.00 0.00 N ATOM 383 CA SER A 28 27.135 -13.591 -23.895 1.00 0.00 C ATOM 384 C SER A 28 26.529 -14.926 -24.327 1.00 0.00 C ATOM 385 O SER A 28 27.144 -15.686 -25.079 1.00 0.00 O ATOM 386 CB SER A 28 28.387 -13.813 -23.044 1.00 0.00 C ATOM 387 OG SER A 28 28.052 -14.111 -21.699 1.00 0.00 O ATOM 0 H SER A 28 26.377 -12.719 -22.151 1.00 0.00 H new ATOM 0 HA SER A 28 27.406 -13.055 -24.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.974 -14.630 -23.464 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.013 -12.921 -23.076 1.00 0.00 H new ATOM 0 HG SER A 28 27.859 -13.279 -21.218 1.00 0.00 H new ATOM 393 N SER A 29 25.325 -15.206 -23.852 1.00 0.00 N ATOM 394 CA SER A 29 24.621 -16.415 -24.219 1.00 0.00 C ATOM 395 C SER A 29 23.471 -16.091 -25.173 1.00 0.00 C ATOM 396 O SER A 29 22.748 -16.981 -25.619 1.00 0.00 O ATOM 397 CB SER A 29 24.087 -17.090 -22.958 1.00 0.00 C ATOM 398 OG SER A 29 25.122 -17.280 -22.001 1.00 0.00 O ATOM 0 H SER A 29 24.815 -14.603 -23.206 1.00 0.00 H new ATOM 0 HA SER A 29 25.308 -17.091 -24.728 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.294 -16.481 -22.524 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.645 -18.052 -23.216 1.00 0.00 H new ATOM 0 HG SER A 29 25.183 -16.490 -21.424 1.00 0.00 H new ATOM 404 N MET A 30 23.319 -14.810 -25.491 1.00 0.00 N ATOM 405 CA MET A 30 22.208 -14.351 -26.310 1.00 0.00 C ATOM 406 C MET A 30 22.625 -14.185 -27.765 1.00 0.00 C ATOM 407 O MET A 30 23.674 -13.611 -28.061 1.00 0.00 O ATOM 408 CB MET A 30 21.679 -13.015 -25.791 1.00 0.00 C ATOM 409 CG MET A 30 21.191 -13.044 -24.351 1.00 0.00 C ATOM 410 SD MET A 30 19.864 -14.232 -24.074 1.00 0.00 S ATOM 411 CE MET A 30 19.461 -13.882 -22.362 1.00 0.00 C ATOM 0 H MET A 30 23.955 -14.070 -25.192 1.00 0.00 H new ATOM 0 HA MET A 30 21.425 -15.107 -26.250 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.468 -12.268 -25.879 1.00 0.00 H new ATOM 0 HB3 MET A 30 20.860 -12.690 -26.432 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.028 -13.285 -23.695 1.00 0.00 H new ATOM 0 HG3 MET A 30 20.843 -12.049 -24.072 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.574 -14.447 -22.074 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.297 -14.170 -21.725 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.266 -12.816 -22.245 1.00 0.00 H new ATOM 421 N PRO A 31 21.812 -14.699 -28.695 1.00 0.00 N ATOM 422 CA PRO A 31 22.041 -14.514 -30.124 1.00 0.00 C ATOM 423 C PRO A 31 21.649 -13.113 -30.588 1.00 0.00 C ATOM 424 O PRO A 31 20.681 -12.531 -30.098 1.00 0.00 O ATOM 425 CB PRO A 31 21.136 -15.568 -30.760 1.00 0.00 C ATOM 426 CG PRO A 31 20.024 -15.753 -29.785 1.00 0.00 C ATOM 427 CD PRO A 31 20.611 -15.509 -28.421 1.00 0.00 C ATOM 0 HA PRO A 31 23.092 -14.619 -30.395 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.762 -15.236 -31.728 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.673 -16.501 -30.929 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.210 -15.057 -29.988 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.609 -16.758 -29.855 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.911 -14.981 -27.773 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.864 -16.444 -27.921 1.00 0.00 H new ATOM 435 N GLY A 32 22.408 -12.567 -31.521 1.00 0.00 N ATOM 436 CA GLY A 32 22.105 -11.251 -32.044 1.00 0.00 C ATOM 437 C GLY A 32 23.238 -10.283 -31.804 1.00 0.00 C ATOM 438 O GLY A 32 23.432 -9.331 -32.560 1.00 0.00 O ATOM 0 H GLY A 32 23.231 -13.011 -31.928 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.906 -11.321 -33.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.197 -10.873 -31.575 1.00 0.00 H new ATOM 442 N PHE A 33 23.992 -10.530 -30.746 1.00 0.00 N ATOM 443 CA PHE A 33 25.152 -9.715 -30.424 1.00 0.00 C ATOM 444 C PHE A 33 26.433 -10.504 -30.680 1.00 0.00 C ATOM 445 O PHE A 33 26.411 -11.535 -31.355 1.00 0.00 O ATOM 446 CB PHE A 33 25.102 -9.256 -28.962 1.00 0.00 C ATOM 447 CG PHE A 33 24.050 -8.222 -28.672 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.278 -6.880 -28.947 1.00 0.00 C ATOM 449 CD2 PHE A 33 22.842 -8.589 -28.102 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.323 -5.927 -28.661 1.00 0.00 C ATOM 451 CE2 PHE A 33 21.884 -7.637 -27.808 1.00 0.00 C ATOM 452 CZ PHE A 33 22.123 -6.305 -28.088 1.00 0.00 C ATOM 0 H PHE A 33 23.820 -11.293 -30.092 1.00 0.00 H new ATOM 0 HA PHE A 33 25.142 -8.833 -31.064 1.00 0.00 H new ATOM 0 HB2 PHE A 33 24.926 -10.124 -28.327 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.076 -8.853 -28.687 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.215 -6.579 -29.391 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.647 -9.629 -27.885 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.512 -4.887 -28.884 1.00 0.00 H new ATOM 0 HE2 PHE A 33 20.948 -7.934 -27.359 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.374 -5.561 -27.860 1.00 0.00 H new ATOM 462 N THR A 34 27.542 -10.002 -30.164 1.00 0.00 N ATOM 463 CA THR A 34 28.824 -10.669 -30.281 1.00 0.00 C ATOM 464 C THR A 34 29.771 -10.109 -29.228 1.00 0.00 C ATOM 465 O THR A 34 29.448 -9.112 -28.579 1.00 0.00 O ATOM 466 CB THR A 34 29.429 -10.497 -31.696 1.00 0.00 C ATOM 467 OG1 THR A 34 30.670 -11.207 -31.801 1.00 0.00 O ATOM 468 CG2 THR A 34 29.658 -9.028 -32.024 1.00 0.00 C ATOM 0 H THR A 34 27.577 -9.120 -29.652 1.00 0.00 H new ATOM 0 HA THR A 34 28.678 -11.737 -30.120 1.00 0.00 H new ATOM 0 HB THR A 34 28.715 -10.907 -32.410 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.039 -11.090 -32.701 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.083 -8.940 -33.024 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.708 -8.494 -31.986 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.346 -8.596 -31.298 1.00 0.00 H new ATOM 476 N ALA A 35 30.926 -10.738 -29.066 1.00 0.00 N ATOM 477 CA ALA A 35 31.893 -10.336 -28.053 1.00 0.00 C ATOM 478 C ALA A 35 32.266 -8.862 -28.190 1.00 0.00 C ATOM 479 O ALA A 35 32.421 -8.155 -27.192 1.00 0.00 O ATOM 480 CB ALA A 35 33.129 -11.209 -28.147 1.00 0.00 C ATOM 0 H ALA A 35 31.219 -11.537 -29.629 1.00 0.00 H new ATOM 0 HA ALA A 35 31.435 -10.468 -27.073 1.00 0.00 H new ATOM 0 HB1 ALA A 35 33.849 -10.904 -27.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 32.852 -12.251 -27.987 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.577 -11.101 -29.135 1.00 0.00 H new ATOM 486 N SER A 36 32.388 -8.405 -29.435 1.00 0.00 N ATOM 487 CA SER A 36 32.689 -7.009 -29.726 1.00 0.00 C ATOM 488 C SER A 36 31.618 -6.092 -29.133 1.00 0.00 C ATOM 489 O SER A 36 31.925 -5.099 -28.472 1.00 0.00 O ATOM 490 CB SER A 36 32.765 -6.811 -31.241 1.00 0.00 C ATOM 491 OG SER A 36 33.492 -7.866 -31.849 1.00 0.00 O ATOM 0 H SER A 36 32.281 -8.990 -30.264 1.00 0.00 H new ATOM 0 HA SER A 36 33.648 -6.753 -29.275 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.759 -6.769 -31.658 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.243 -5.857 -31.465 1.00 0.00 H new ATOM 0 HG SER A 36 33.528 -7.723 -32.818 1.00 0.00 H new ATOM 497 N GLN A 37 30.358 -6.457 -29.352 1.00 0.00 N ATOM 498 CA GLN A 37 29.228 -5.684 -28.851 1.00 0.00 C ATOM 499 C GLN A 37 29.202 -5.674 -27.328 1.00 0.00 C ATOM 500 O GLN A 37 28.885 -4.657 -26.710 1.00 0.00 O ATOM 501 CB GLN A 37 27.913 -6.252 -29.391 1.00 0.00 C ATOM 502 CG GLN A 37 27.267 -5.390 -30.469 1.00 0.00 C ATOM 503 CD GLN A 37 28.164 -5.165 -31.668 1.00 0.00 C ATOM 504 OE1 GLN A 37 28.963 -6.023 -32.035 1.00 0.00 O ATOM 505 NE2 GLN A 37 28.038 -4.004 -32.282 1.00 0.00 N ATOM 0 H GLN A 37 30.094 -7.290 -29.878 1.00 0.00 H new ATOM 0 HA GLN A 37 29.344 -4.658 -29.199 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.097 -7.247 -29.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.212 -6.369 -28.564 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.342 -5.864 -30.799 1.00 0.00 H new ATOM 0 HG3 GLN A 37 26.996 -4.425 -30.040 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.362 -3.319 -31.944 1.00 0.00 H new ATOM 0 HE22 GLN A 37 28.617 -3.791 -33.094 1.00 0.00 H new ATOM 514 N LEU A 38 29.544 -6.804 -26.725 1.00 0.00 N ATOM 515 CA LEU A 38 29.537 -6.921 -25.274 1.00 0.00 C ATOM 516 C LEU A 38 30.639 -6.088 -24.639 1.00 0.00 C ATOM 517 O LEU A 38 30.457 -5.555 -23.548 1.00 0.00 O ATOM 518 CB LEU A 38 29.683 -8.376 -24.832 1.00 0.00 C ATOM 519 CG LEU A 38 28.375 -9.153 -24.681 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.727 -9.409 -26.031 1.00 0.00 C ATOM 521 CD2 LEU A 38 28.625 -10.457 -23.947 1.00 0.00 C ATOM 0 H LEU A 38 29.829 -7.651 -27.217 1.00 0.00 H new ATOM 0 HA LEU A 38 28.573 -6.542 -24.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.312 -8.895 -25.555 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.210 -8.396 -23.878 1.00 0.00 H new ATOM 0 HG LEU A 38 27.684 -8.548 -24.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 26.799 -9.963 -25.890 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.511 -8.458 -26.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.405 -9.990 -26.656 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.687 -11.003 -23.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.337 -11.061 -24.510 1.00 0.00 H new ATOM 0 HD23 LEU A 38 29.031 -10.246 -22.958 1.00 0.00 H new ATOM 533 N ASP A 39 31.775 -5.976 -25.316 1.00 0.00 N ATOM 534 CA ASP A 39 32.902 -5.219 -24.781 1.00 0.00 C ATOM 535 C ASP A 39 32.509 -3.762 -24.574 1.00 0.00 C ATOM 536 O ASP A 39 32.681 -3.210 -23.487 1.00 0.00 O ATOM 537 CB ASP A 39 34.111 -5.305 -25.705 1.00 0.00 C ATOM 538 CG ASP A 39 35.376 -4.793 -25.042 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.554 -3.562 -24.949 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.195 -5.624 -24.598 1.00 0.00 O ATOM 0 H ASP A 39 31.941 -6.396 -26.230 1.00 0.00 H new ATOM 0 HA ASP A 39 33.174 -5.657 -23.820 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.258 -6.340 -26.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.917 -4.728 -26.609 1.00 0.00 H new ATOM 545 N ASP A 40 31.950 -3.157 -25.618 1.00 0.00 N ATOM 546 CA ASP A 40 31.474 -1.783 -25.548 1.00 0.00 C ATOM 547 C ASP A 40 30.364 -1.656 -24.518 1.00 0.00 C ATOM 548 O ASP A 40 30.335 -0.711 -23.728 1.00 0.00 O ATOM 549 CB ASP A 40 30.959 -1.328 -26.913 1.00 0.00 C ATOM 550 CG ASP A 40 32.048 -0.768 -27.803 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.745 -1.558 -28.476 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.202 0.469 -27.856 1.00 0.00 O ATOM 0 H ASP A 40 31.816 -3.601 -26.526 1.00 0.00 H new ATOM 0 HA ASP A 40 32.309 -1.149 -25.251 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.486 -2.172 -27.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.189 -0.569 -26.770 1.00 0.00 H new ATOM 557 N MET A 41 29.458 -2.628 -24.525 1.00 0.00 N ATOM 558 CA MET A 41 28.322 -2.637 -23.621 1.00 0.00 C ATOM 559 C MET A 41 28.788 -2.720 -22.172 1.00 0.00 C ATOM 560 O MET A 41 28.219 -2.079 -21.288 1.00 0.00 O ATOM 561 CB MET A 41 27.415 -3.814 -23.977 1.00 0.00 C ATOM 562 CG MET A 41 26.039 -3.750 -23.348 1.00 0.00 C ATOM 563 SD MET A 41 24.892 -4.947 -24.059 1.00 0.00 S ATOM 564 CE MET A 41 24.816 -4.385 -25.762 1.00 0.00 C ATOM 0 H MET A 41 29.493 -3.428 -25.157 1.00 0.00 H new ATOM 0 HA MET A 41 27.761 -1.709 -23.729 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.305 -3.859 -25.061 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.901 -4.739 -23.667 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.125 -3.928 -22.276 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.633 -2.746 -23.473 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.810 -4.540 -26.152 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.063 -3.324 -25.806 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.529 -4.949 -26.363 1.00 0.00 H new ATOM 574 N SER A 42 29.847 -3.487 -21.944 1.00 0.00 N ATOM 575 CA SER A 42 30.450 -3.606 -20.626 1.00 0.00 C ATOM 576 C SER A 42 31.014 -2.260 -20.182 1.00 0.00 C ATOM 577 O SER A 42 30.803 -1.825 -19.048 1.00 0.00 O ATOM 578 CB SER A 42 31.558 -4.667 -20.651 1.00 0.00 C ATOM 579 OG SER A 42 32.170 -4.818 -19.381 1.00 0.00 O ATOM 0 H SER A 42 30.309 -4.041 -22.665 1.00 0.00 H new ATOM 0 HA SER A 42 29.685 -3.914 -19.913 1.00 0.00 H new ATOM 0 HB2 SER A 42 31.140 -5.622 -20.969 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.312 -4.388 -21.387 1.00 0.00 H new ATOM 0 HG SER A 42 32.869 -5.503 -19.434 1.00 0.00 H new ATOM 585 N THR A 43 31.711 -1.596 -21.097 1.00 0.00 N ATOM 586 CA THR A 43 32.295 -0.293 -20.828 1.00 0.00 C ATOM 587 C THR A 43 31.218 0.724 -20.445 1.00 0.00 C ATOM 588 O THR A 43 31.379 1.479 -19.486 1.00 0.00 O ATOM 589 CB THR A 43 33.076 0.224 -22.052 1.00 0.00 C ATOM 590 OG1 THR A 43 34.008 -0.771 -22.494 1.00 0.00 O ATOM 591 CG2 THR A 43 33.821 1.507 -21.718 1.00 0.00 C ATOM 0 H THR A 43 31.885 -1.945 -22.039 1.00 0.00 H new ATOM 0 HA THR A 43 32.983 -0.412 -19.991 1.00 0.00 H new ATOM 0 HB THR A 43 32.361 0.434 -22.848 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.523 -1.504 -22.928 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.364 1.852 -22.598 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.108 2.272 -21.409 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.525 1.318 -20.908 1.00 0.00 H new ATOM 599 N ILE A 44 30.110 0.723 -21.180 1.00 0.00 N ATOM 600 CA ILE A 44 29.008 1.631 -20.889 1.00 0.00 C ATOM 601 C ILE A 44 28.379 1.277 -19.547 1.00 0.00 C ATOM 602 O ILE A 44 28.003 2.155 -18.767 1.00 0.00 O ATOM 603 CB ILE A 44 27.916 1.583 -21.975 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.512 1.833 -23.364 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.829 2.601 -21.664 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.270 3.134 -23.482 1.00 0.00 C ATOM 0 H ILE A 44 29.953 0.107 -21.977 1.00 0.00 H new ATOM 0 HA ILE A 44 29.423 2.639 -20.862 1.00 0.00 H new ATOM 0 HB ILE A 44 27.474 0.587 -21.978 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.182 1.010 -23.614 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.708 1.825 -24.100 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.061 2.561 -22.436 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.383 2.372 -20.696 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.264 3.600 -21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.661 3.237 -24.494 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.600 3.966 -23.265 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.097 3.139 -22.772 1.00 0.00 H new ATOM 618 N ALA A 45 28.275 -0.020 -19.285 1.00 0.00 N ATOM 619 CA ALA A 45 27.752 -0.510 -18.019 1.00 0.00 C ATOM 620 C ALA A 45 28.572 0.031 -16.856 1.00 0.00 C ATOM 621 O ALA A 45 28.040 0.298 -15.777 1.00 0.00 O ATOM 622 CB ALA A 45 27.744 -2.031 -18.003 1.00 0.00 C ATOM 0 H ALA A 45 28.548 -0.754 -19.938 1.00 0.00 H new ATOM 0 HA ALA A 45 26.727 -0.157 -17.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.350 -2.383 -17.049 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.116 -2.400 -18.814 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.761 -2.402 -18.135 1.00 0.00 H new ATOM 628 N GLN A 46 29.869 0.206 -17.089 1.00 0.00 N ATOM 629 CA GLN A 46 30.759 0.745 -16.074 1.00 0.00 C ATOM 630 C GLN A 46 30.413 2.199 -15.779 1.00 0.00 C ATOM 631 O GLN A 46 30.408 2.617 -14.620 1.00 0.00 O ATOM 632 CB GLN A 46 32.226 0.635 -16.504 1.00 0.00 C ATOM 633 CG GLN A 46 32.693 -0.791 -16.776 1.00 0.00 C ATOM 634 CD GLN A 46 32.238 -1.775 -15.715 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.891 -1.955 -14.687 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.129 -2.446 -15.978 1.00 0.00 N ATOM 0 H GLN A 46 30.325 -0.019 -17.973 1.00 0.00 H new ATOM 0 HA GLN A 46 30.623 0.154 -15.168 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.375 1.232 -17.404 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.854 1.069 -15.726 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.316 -1.112 -17.747 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.781 -0.806 -16.835 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.617 -2.267 -16.842 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.786 -3.143 -15.317 1.00 0.00 H new ATOM 645 N SER A 47 30.092 2.957 -16.827 1.00 0.00 N ATOM 646 CA SER A 47 29.737 4.364 -16.677 1.00 0.00 C ATOM 647 C SER A 47 28.494 4.502 -15.802 1.00 0.00 C ATOM 648 O SER A 47 28.385 5.430 -14.994 1.00 0.00 O ATOM 649 CB SER A 47 29.497 4.993 -18.050 1.00 0.00 C ATOM 650 OG SER A 47 30.608 4.780 -18.903 1.00 0.00 O ATOM 0 H SER A 47 30.071 2.618 -17.789 1.00 0.00 H new ATOM 0 HA SER A 47 30.561 4.888 -16.193 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.601 4.565 -18.499 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.318 6.062 -17.939 1.00 0.00 H new ATOM 0 HG SER A 47 30.433 5.189 -19.776 1.00 0.00 H new ATOM 656 N MET A 48 27.570 3.558 -15.955 1.00 0.00 N ATOM 657 CA MET A 48 26.369 3.513 -15.146 1.00 0.00 C ATOM 658 C MET A 48 26.715 3.263 -13.679 1.00 0.00 C ATOM 659 O MET A 48 26.380 4.066 -12.810 1.00 0.00 O ATOM 660 CB MET A 48 25.443 2.411 -15.665 1.00 0.00 C ATOM 661 CG MET A 48 24.238 2.155 -14.780 1.00 0.00 C ATOM 662 SD MET A 48 23.058 3.518 -14.781 1.00 0.00 S ATOM 663 CE MET A 48 22.413 3.410 -16.447 1.00 0.00 C ATOM 0 H MET A 48 27.638 2.808 -16.643 1.00 0.00 H new ATOM 0 HA MET A 48 25.861 4.475 -15.217 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.098 2.680 -16.663 1.00 0.00 H new ATOM 0 HB3 MET A 48 26.013 1.487 -15.763 1.00 0.00 H new ATOM 0 HG2 MET A 48 23.736 1.247 -15.114 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.576 1.975 -13.759 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.720 4.289 -17.014 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.801 2.513 -16.930 1.00 0.00 H new ATOM 0 HE3 MET A 48 21.325 3.363 -16.413 1.00 0.00 H new ATOM 673 N VAL A 49 27.411 2.157 -13.423 1.00 0.00 N ATOM 674 CA VAL A 49 27.741 1.749 -12.059 1.00 0.00 C ATOM 675 C VAL A 49 28.518 2.836 -11.322 1.00 0.00 C ATOM 676 O VAL A 49 28.185 3.179 -10.190 1.00 0.00 O ATOM 677 CB VAL A 49 28.558 0.438 -12.037 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.916 0.045 -10.609 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.787 -0.682 -12.717 1.00 0.00 C ATOM 0 H VAL A 49 27.758 1.526 -14.145 1.00 0.00 H new ATOM 0 HA VAL A 49 26.792 1.582 -11.549 1.00 0.00 H new ATOM 0 HB VAL A 49 29.484 0.607 -12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.491 -0.881 -10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.511 0.836 -10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.003 -0.102 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.378 -1.598 -12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.844 -0.844 -12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.585 -0.408 -13.753 1.00 0.00 H new ATOM 689 N GLN A 50 29.532 3.396 -11.975 1.00 0.00 N ATOM 690 CA GLN A 50 30.397 4.385 -11.333 1.00 0.00 C ATOM 691 C GLN A 50 29.620 5.639 -10.936 1.00 0.00 C ATOM 692 O GLN A 50 29.944 6.295 -9.946 1.00 0.00 O ATOM 693 CB GLN A 50 31.566 4.752 -12.245 1.00 0.00 C ATOM 694 CG GLN A 50 32.506 3.587 -12.510 1.00 0.00 C ATOM 695 CD GLN A 50 33.066 2.975 -11.238 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.104 3.397 -10.732 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.386 1.964 -10.720 1.00 0.00 N ATOM 0 H GLN A 50 29.775 3.185 -12.943 1.00 0.00 H new ATOM 0 HA GLN A 50 30.790 3.933 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.177 5.120 -13.194 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.128 5.569 -11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 50 31.975 2.819 -13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.331 3.928 -13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 50 31.529 1.643 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 50 32.720 1.507 -9.872 1.00 0.00 H new ATOM 706 N SER A 51 28.584 5.957 -11.696 1.00 0.00 N ATOM 707 CA SER A 51 27.757 7.113 -11.394 1.00 0.00 C ATOM 708 C SER A 51 26.820 6.805 -10.227 1.00 0.00 C ATOM 709 O SER A 51 26.483 7.687 -9.437 1.00 0.00 O ATOM 710 CB SER A 51 26.964 7.530 -12.631 1.00 0.00 C ATOM 711 OG SER A 51 27.838 7.839 -13.707 1.00 0.00 O ATOM 0 H SER A 51 28.297 5.433 -12.523 1.00 0.00 H new ATOM 0 HA SER A 51 28.402 7.942 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.288 6.726 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.346 8.397 -12.398 1.00 0.00 H new ATOM 0 HG SER A 51 28.062 7.018 -14.192 1.00 0.00 H new ATOM 717 N ILE A 52 26.421 5.545 -10.118 1.00 0.00 N ATOM 718 CA ILE A 52 25.589 5.094 -9.010 1.00 0.00 C ATOM 719 C ILE A 52 26.385 5.130 -7.710 1.00 0.00 C ATOM 720 O ILE A 52 25.864 5.511 -6.660 1.00 0.00 O ATOM 721 CB ILE A 52 25.057 3.669 -9.263 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.178 3.662 -10.514 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.291 3.140 -8.053 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.759 2.280 -10.950 1.00 0.00 C ATOM 0 H ILE A 52 26.661 4.814 -10.787 1.00 0.00 H new ATOM 0 HA ILE A 52 24.736 5.768 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 52 25.906 3.004 -9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.287 4.260 -10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.718 4.143 -11.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.929 2.134 -8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.952 3.114 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.444 3.794 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.138 2.353 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.645 1.684 -11.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.191 1.803 -10.151 1.00 0.00 H new ATOM 736 N GLN A 53 27.660 4.752 -7.800 1.00 0.00 N ATOM 737 CA GLN A 53 28.569 4.829 -6.659 1.00 0.00 C ATOM 738 C GLN A 53 28.594 6.257 -6.123 1.00 0.00 C ATOM 739 O GLN A 53 28.594 6.486 -4.912 1.00 0.00 O ATOM 740 CB GLN A 53 29.990 4.411 -7.063 1.00 0.00 C ATOM 741 CG GLN A 53 30.066 3.079 -7.793 1.00 0.00 C ATOM 742 CD GLN A 53 29.492 1.930 -6.993 1.00 0.00 C ATOM 743 OE1 GLN A 53 28.304 1.632 -7.083 1.00 0.00 O ATOM 744 NE2 GLN A 53 30.332 1.272 -6.213 1.00 0.00 N ATOM 0 H GLN A 53 28.086 4.389 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 53 28.213 4.148 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.417 5.186 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.609 4.357 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.530 3.159 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.107 2.862 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 53 31.312 1.552 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.001 0.484 -5.657 1.00 0.00 H new ATOM 753 N SER A 54 28.588 7.214 -7.043 1.00 0.00 N ATOM 754 CA SER A 54 28.575 8.621 -6.687 1.00 0.00 C ATOM 755 C SER A 54 27.223 9.021 -6.092 1.00 0.00 C ATOM 756 O SER A 54 27.169 9.726 -5.091 1.00 0.00 O ATOM 757 CB SER A 54 28.890 9.474 -7.915 1.00 0.00 C ATOM 758 OG SER A 54 30.132 9.096 -8.487 1.00 0.00 O ATOM 0 H SER A 54 28.592 7.036 -8.047 1.00 0.00 H new ATOM 0 HA SER A 54 29.341 8.793 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.096 9.363 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 54 28.919 10.527 -7.634 1.00 0.00 H new ATOM 0 HG SER A 54 30.034 8.233 -8.941 1.00 0.00 H new ATOM 764 N LEU A 55 26.134 8.553 -6.696 1.00 0.00 N ATOM 765 CA LEU A 55 24.798 8.887 -6.230 1.00 0.00 C ATOM 766 C LEU A 55 24.584 8.434 -4.790 1.00 0.00 C ATOM 767 O LEU A 55 24.052 9.185 -3.973 1.00 0.00 O ATOM 768 CB LEU A 55 23.746 8.256 -7.139 1.00 0.00 C ATOM 769 CG LEU A 55 23.639 8.861 -8.539 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.579 8.134 -9.350 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.325 10.350 -8.461 1.00 0.00 C ATOM 0 H LEU A 55 26.154 7.940 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 55 24.695 9.972 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 55 23.966 7.193 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.774 8.337 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 55 24.600 8.742 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.515 8.576 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.847 7.081 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.614 8.223 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.253 10.760 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.378 10.495 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.119 10.861 -7.917 1.00 0.00 H new ATOM 783 N ALA A 56 25.031 7.225 -4.477 1.00 0.00 N ATOM 784 CA ALA A 56 24.860 6.663 -3.143 1.00 0.00 C ATOM 785 C ALA A 56 25.775 7.341 -2.125 1.00 0.00 C ATOM 786 O ALA A 56 25.536 7.278 -0.917 1.00 0.00 O ATOM 787 CB ALA A 56 25.118 5.165 -3.168 1.00 0.00 C ATOM 0 H ALA A 56 25.517 6.612 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 56 23.830 6.844 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.987 4.757 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.415 4.686 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.137 4.977 -3.506 1.00 0.00 H new ATOM 793 N ALA A 57 26.812 8.010 -2.612 1.00 0.00 N ATOM 794 CA ALA A 57 27.773 8.658 -1.738 1.00 0.00 C ATOM 795 C ALA A 57 27.397 10.114 -1.551 1.00 0.00 C ATOM 796 O ALA A 57 27.634 10.706 -0.502 1.00 0.00 O ATOM 797 CB ALA A 57 29.178 8.537 -2.307 1.00 0.00 C ATOM 0 H ALA A 57 27.007 8.116 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 57 27.757 8.163 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.885 9.028 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.442 7.484 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.216 9.012 -3.287 1.00 0.00 H new ATOM 803 N GLN A 58 26.802 10.681 -2.587 1.00 0.00 N ATOM 804 CA GLN A 58 26.347 12.055 -2.546 1.00 0.00 C ATOM 805 C GLN A 58 24.953 12.141 -1.935 1.00 0.00 C ATOM 806 O GLN A 58 24.495 13.220 -1.566 1.00 0.00 O ATOM 807 CB GLN A 58 26.337 12.660 -3.955 1.00 0.00 C ATOM 808 CG GLN A 58 27.720 12.787 -4.577 1.00 0.00 C ATOM 809 CD GLN A 58 27.680 13.179 -6.046 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.572 13.866 -6.537 1.00 0.00 O ATOM 811 NE2 GLN A 58 26.657 12.734 -6.763 1.00 0.00 N ATOM 0 H GLN A 58 26.623 10.205 -3.471 1.00 0.00 H new ATOM 0 HA GLN A 58 27.039 12.623 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 58 25.713 12.043 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 58 25.875 13.646 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.294 13.531 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.246 11.838 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.934 12.166 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.593 12.960 -7.756 1.00 0.00 H new ATOM 820 N GLY A 59 24.285 10.996 -1.839 1.00 0.00 N ATOM 821 CA GLY A 59 22.928 10.962 -1.326 1.00 0.00 C ATOM 822 C GLY A 59 21.953 11.609 -2.287 1.00 0.00 C ATOM 823 O GLY A 59 20.923 12.142 -1.882 1.00 0.00 O ATOM 0 H GLY A 59 24.662 10.087 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.632 9.928 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.888 11.476 -0.366 1.00 0.00 H new ATOM 827 N ARG A 60 22.280 11.545 -3.571 1.00 0.00 N ATOM 828 CA ARG A 60 21.523 12.250 -4.595 1.00 0.00 C ATOM 829 C ARG A 60 20.951 11.286 -5.625 1.00 0.00 C ATOM 830 O ARG A 60 20.864 11.614 -6.806 1.00 0.00 O ATOM 831 CB ARG A 60 22.416 13.263 -5.297 1.00 0.00 C ATOM 832 CG ARG A 60 22.888 14.385 -4.397 1.00 0.00 C ATOM 833 CD ARG A 60 23.616 15.429 -5.207 1.00 0.00 C ATOM 834 NE ARG A 60 24.192 16.484 -4.373 1.00 0.00 N ATOM 835 CZ ARG A 60 25.218 17.249 -4.746 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.780 17.072 -5.936 1.00 0.00 N ATOM 837 NH2 ARG A 60 25.687 18.185 -3.928 1.00 0.00 N ATOM 0 H ARG A 60 23.070 11.008 -3.929 1.00 0.00 H new ATOM 0 HA ARG A 60 20.696 12.762 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.285 12.747 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.873 13.690 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.036 14.837 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.547 13.989 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.409 14.951 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.926 15.873 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 60 23.784 16.644 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.427 16.351 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.565 17.657 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.262 18.320 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 60 26.472 18.768 -4.217 1.00 0.00 H new ATOM 851 N THR A 61 20.568 10.102 -5.182 1.00 0.00 N ATOM 852 CA THR A 61 20.003 9.108 -6.079 1.00 0.00 C ATOM 853 C THR A 61 18.660 9.582 -6.633 1.00 0.00 C ATOM 854 O THR A 61 18.572 9.963 -7.793 1.00 0.00 O ATOM 855 CB THR A 61 19.830 7.757 -5.359 1.00 0.00 C ATOM 856 OG1 THR A 61 20.918 7.557 -4.446 1.00 0.00 O ATOM 857 CG2 THR A 61 19.797 6.612 -6.360 1.00 0.00 C ATOM 0 H THR A 61 20.637 9.805 -4.209 1.00 0.00 H new ATOM 0 HA THR A 61 20.696 8.973 -6.910 1.00 0.00 H new ATOM 0 HB THR A 61 18.885 7.774 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.806 6.698 -3.987 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.674 5.668 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.963 6.753 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.731 6.593 -6.922 1.00 0.00 H new ATOM 865 N SER A 62 17.649 9.609 -5.762 1.00 0.00 N ATOM 866 CA SER A 62 16.256 9.950 -6.107 1.00 0.00 C ATOM 867 C SER A 62 15.725 9.148 -7.312 1.00 0.00 C ATOM 868 O SER A 62 16.483 8.576 -8.091 1.00 0.00 O ATOM 869 CB SER A 62 16.109 11.461 -6.354 1.00 0.00 C ATOM 870 OG SER A 62 16.798 11.876 -7.516 1.00 0.00 O ATOM 0 H SER A 62 17.773 9.390 -4.773 1.00 0.00 H new ATOM 0 HA SER A 62 15.645 9.670 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.053 11.712 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.490 12.008 -5.492 1.00 0.00 H new ATOM 0 HG SER A 62 17.228 11.102 -7.936 1.00 0.00 H new ATOM 876 N PRO A 63 14.396 9.064 -7.472 1.00 0.00 N ATOM 877 CA PRO A 63 13.803 8.404 -8.637 1.00 0.00 C ATOM 878 C PRO A 63 14.038 9.192 -9.927 1.00 0.00 C ATOM 879 O PRO A 63 13.896 8.654 -11.022 1.00 0.00 O ATOM 880 CB PRO A 63 12.308 8.354 -8.302 1.00 0.00 C ATOM 881 CG PRO A 63 12.099 9.464 -7.331 1.00 0.00 C ATOM 882 CD PRO A 63 13.368 9.555 -6.531 1.00 0.00 C ATOM 0 HA PRO A 63 14.241 7.422 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.698 8.489 -9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.031 7.393 -7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.895 10.402 -7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.244 9.263 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.570 10.577 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.321 8.943 -5.630 1.00 0.00 H new ATOM 890 N ASN A 64 14.426 10.456 -9.787 1.00 0.00 N ATOM 891 CA ASN A 64 14.587 11.344 -10.936 1.00 0.00 C ATOM 892 C ASN A 64 15.853 11.023 -11.725 1.00 0.00 C ATOM 893 O ASN A 64 15.851 11.061 -12.954 1.00 0.00 O ATOM 894 CB ASN A 64 14.598 12.810 -10.488 1.00 0.00 C ATOM 895 CG ASN A 64 14.766 13.777 -11.646 1.00 0.00 C ATOM 896 OD1 ASN A 64 15.883 14.161 -11.995 1.00 0.00 O ATOM 897 ND2 ASN A 64 13.656 14.173 -12.252 1.00 0.00 N ATOM 0 H ASN A 64 14.635 10.890 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 64 13.734 11.182 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.667 13.033 -9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.408 12.961 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.708 14.820 -13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.750 13.831 -11.931 1.00 0.00 H new ATOM 904 N LYS A 65 16.939 10.706 -11.031 1.00 0.00 N ATOM 905 CA LYS A 65 18.148 10.272 -11.722 1.00 0.00 C ATOM 906 C LYS A 65 17.902 8.907 -12.336 1.00 0.00 C ATOM 907 O LYS A 65 18.307 8.631 -13.461 1.00 0.00 O ATOM 908 CB LYS A 65 19.365 10.211 -10.787 1.00 0.00 C ATOM 909 CG LYS A 65 19.960 11.568 -10.440 1.00 0.00 C ATOM 910 CD LYS A 65 19.074 12.350 -9.489 1.00 0.00 C ATOM 911 CE LYS A 65 19.637 13.732 -9.208 1.00 0.00 C ATOM 912 NZ LYS A 65 20.950 13.668 -8.517 1.00 0.00 N ATOM 0 H LYS A 65 17.009 10.739 -10.014 1.00 0.00 H new ATOM 0 HA LYS A 65 18.375 11.005 -12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.074 9.709 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.136 9.598 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.942 11.429 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.108 12.143 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.075 12.443 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.971 11.801 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.747 14.276 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.932 14.293 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.094 14.537 -7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.967 12.846 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.709 13.575 -9.222 1.00 0.00 H new ATOM 926 N LEU A 66 17.195 8.073 -11.589 1.00 0.00 N ATOM 927 CA LEU A 66 16.885 6.715 -12.011 1.00 0.00 C ATOM 928 C LEU A 66 15.976 6.711 -13.240 1.00 0.00 C ATOM 929 O LEU A 66 16.157 5.900 -14.148 1.00 0.00 O ATOM 930 CB LEU A 66 16.234 5.948 -10.851 1.00 0.00 C ATOM 931 CG LEU A 66 17.200 5.327 -9.822 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.535 6.057 -9.776 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.571 5.331 -8.437 1.00 0.00 C ATOM 0 H LEU A 66 16.820 8.318 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 66 17.814 6.218 -12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.562 6.627 -10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.619 5.151 -11.269 1.00 0.00 H new ATOM 0 HG LEU A 66 17.389 4.301 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.183 5.585 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.009 6.011 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.371 7.099 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.264 4.890 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.348 6.356 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.649 4.750 -8.454 1.00 0.00 H new ATOM 945 N GLN A 67 15.011 7.627 -13.274 1.00 0.00 N ATOM 946 CA GLN A 67 14.098 7.732 -14.410 1.00 0.00 C ATOM 947 C GLN A 67 14.848 8.215 -15.649 1.00 0.00 C ATOM 948 O GLN A 67 14.553 7.803 -16.773 1.00 0.00 O ATOM 949 CB GLN A 67 12.903 8.654 -14.071 1.00 0.00 C ATOM 950 CG GLN A 67 13.231 10.133 -13.914 1.00 0.00 C ATOM 951 CD GLN A 67 13.317 10.881 -15.230 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.631 10.550 -16.196 1.00 0.00 O ATOM 953 NE2 GLN A 67 14.173 11.888 -15.278 1.00 0.00 N ATOM 0 H GLN A 67 14.841 8.305 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 67 13.694 6.743 -14.628 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.153 8.549 -14.855 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.448 8.302 -13.145 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.470 10.601 -13.289 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.180 10.232 -13.387 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.723 12.130 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.283 12.423 -16.139 1.00 0.00 H new ATOM 962 N ALA A 68 15.837 9.073 -15.432 1.00 0.00 N ATOM 963 CA ALA A 68 16.657 9.587 -16.519 1.00 0.00 C ATOM 964 C ALA A 68 17.614 8.516 -17.019 1.00 0.00 C ATOM 965 O ALA A 68 17.787 8.336 -18.228 1.00 0.00 O ATOM 966 CB ALA A 68 17.417 10.833 -16.081 1.00 0.00 C ATOM 0 H ALA A 68 16.090 9.428 -14.510 1.00 0.00 H new ATOM 0 HA ALA A 68 15.999 9.866 -17.342 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.023 11.200 -16.910 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.708 11.605 -15.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.064 10.587 -15.239 1.00 0.00 H new ATOM 972 N LEU A 69 18.223 7.799 -16.085 1.00 0.00 N ATOM 973 CA LEU A 69 19.106 6.694 -16.422 1.00 0.00 C ATOM 974 C LEU A 69 18.345 5.632 -17.201 1.00 0.00 C ATOM 975 O LEU A 69 18.898 4.999 -18.089 1.00 0.00 O ATOM 976 CB LEU A 69 19.718 6.082 -15.159 1.00 0.00 C ATOM 977 CG LEU A 69 20.674 6.993 -14.381 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.173 6.298 -13.123 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.845 7.412 -15.257 1.00 0.00 C ATOM 0 H LEU A 69 18.120 7.965 -15.084 1.00 0.00 H new ATOM 0 HA LEU A 69 19.914 7.080 -17.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.909 5.781 -14.494 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.255 5.176 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 69 20.127 7.888 -14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.850 6.961 -12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.326 6.049 -12.484 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.701 5.385 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.513 8.058 -14.687 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.389 6.526 -15.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.473 7.952 -16.128 1.00 0.00 H new ATOM 991 N ASN A 70 17.066 5.473 -16.878 1.00 0.00 N ATOM 992 CA ASN A 70 16.201 4.494 -17.540 1.00 0.00 C ATOM 993 C ASN A 70 16.201 4.698 -19.055 1.00 0.00 C ATOM 994 O ASN A 70 16.301 3.746 -19.828 1.00 0.00 O ATOM 995 CB ASN A 70 14.777 4.626 -16.983 1.00 0.00 C ATOM 996 CG ASN A 70 13.793 3.632 -17.568 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.654 2.519 -17.066 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.066 4.046 -18.595 1.00 0.00 N ATOM 0 H ASN A 70 16.598 6.016 -16.152 1.00 0.00 H new ATOM 0 HA ASN A 70 16.582 3.492 -17.341 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.808 4.498 -15.901 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.415 5.636 -17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.358 3.433 -18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.214 4.978 -18.982 1.00 0.00 H new ATOM 1005 N MET A 71 16.124 5.953 -19.466 1.00 0.00 N ATOM 1006 CA MET A 71 16.074 6.298 -20.882 1.00 0.00 C ATOM 1007 C MET A 71 17.455 6.255 -21.516 1.00 0.00 C ATOM 1008 O MET A 71 17.637 5.723 -22.613 1.00 0.00 O ATOM 1009 CB MET A 71 15.475 7.687 -21.055 1.00 0.00 C ATOM 1010 CG MET A 71 14.009 7.752 -20.683 1.00 0.00 C ATOM 1011 SD MET A 71 13.345 9.427 -20.719 1.00 0.00 S ATOM 1012 CE MET A 71 14.234 10.165 -19.351 1.00 0.00 C ATOM 0 H MET A 71 16.094 6.756 -18.837 1.00 0.00 H new ATOM 0 HA MET A 71 15.448 5.560 -21.384 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.031 8.395 -20.441 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.595 8.001 -22.092 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.438 7.126 -21.369 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.875 7.336 -19.685 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.788 11.128 -19.105 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.179 9.507 -18.484 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.278 10.309 -19.631 1.00 0.00 H new ATOM 1022 N ARG A 72 18.422 6.823 -20.823 1.00 0.00 N ATOM 1023 CA ARG A 72 19.786 6.903 -21.336 1.00 0.00 C ATOM 1024 C ARG A 72 20.440 5.522 -21.403 1.00 0.00 C ATOM 1025 O ARG A 72 21.266 5.263 -22.271 1.00 0.00 O ATOM 1026 CB ARG A 72 20.627 7.856 -20.484 1.00 0.00 C ATOM 1027 CG ARG A 72 20.107 9.290 -20.477 1.00 0.00 C ATOM 1028 CD ARG A 72 19.984 9.844 -21.890 1.00 0.00 C ATOM 1029 NE ARG A 72 19.478 11.219 -21.909 1.00 0.00 N ATOM 1030 CZ ARG A 72 19.223 11.905 -23.027 1.00 0.00 C ATOM 1031 NH1 ARG A 72 19.434 11.356 -24.218 1.00 0.00 N ATOM 1032 NH2 ARG A 72 18.772 13.150 -22.954 1.00 0.00 N ATOM 0 H ARG A 72 18.293 7.238 -19.900 1.00 0.00 H new ATOM 0 HA ARG A 72 19.736 7.296 -22.351 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.656 7.484 -19.460 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.652 7.852 -20.854 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.135 9.323 -19.986 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.780 9.920 -19.895 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.959 9.812 -22.376 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.317 9.206 -22.471 1.00 0.00 H new ATOM 0 HE ARG A 72 19.310 11.680 -21.015 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.793 10.404 -24.284 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.237 11.887 -25.066 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.620 13.585 -22.044 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.578 13.673 -23.808 1.00 0.00 H new ATOM 1046 N PHE A 73 20.055 4.643 -20.487 1.00 0.00 N ATOM 1047 CA PHE A 73 20.546 3.267 -20.469 1.00 0.00 C ATOM 1048 C PHE A 73 20.099 2.518 -21.723 1.00 0.00 C ATOM 1049 O PHE A 73 20.885 1.816 -22.356 1.00 0.00 O ATOM 1050 CB PHE A 73 20.038 2.566 -19.204 1.00 0.00 C ATOM 1051 CG PHE A 73 20.352 1.102 -19.105 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.661 0.647 -19.118 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.328 0.184 -18.974 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.938 -0.703 -19.003 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.594 -1.165 -18.861 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.903 -1.611 -18.875 1.00 0.00 C ATOM 0 H PHE A 73 19.397 4.860 -19.738 1.00 0.00 H new ATOM 0 HA PHE A 73 21.636 3.274 -20.460 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.462 3.070 -18.336 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.957 2.692 -19.149 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.472 1.353 -19.219 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.304 0.527 -18.960 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.961 -1.048 -19.013 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.782 -1.871 -18.762 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.116 -2.666 -18.786 1.00 0.00 H new ATOM 1066 N ALA A 74 18.835 2.692 -22.083 1.00 0.00 N ATOM 1067 CA ALA A 74 18.275 2.052 -23.264 1.00 0.00 C ATOM 1068 C ALA A 74 18.937 2.564 -24.538 1.00 0.00 C ATOM 1069 O ALA A 74 19.304 1.783 -25.415 1.00 0.00 O ATOM 1070 CB ALA A 74 16.773 2.281 -23.321 1.00 0.00 C ATOM 0 H ALA A 74 18.174 3.275 -21.570 1.00 0.00 H new ATOM 0 HA ALA A 74 18.470 0.982 -23.193 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.365 1.798 -24.209 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.307 1.859 -22.431 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.569 3.351 -23.364 1.00 0.00 H new ATOM 1076 N SER A 75 19.109 3.876 -24.625 1.00 0.00 N ATOM 1077 CA SER A 75 19.637 4.494 -25.833 1.00 0.00 C ATOM 1078 C SER A 75 21.128 4.217 -26.017 1.00 0.00 C ATOM 1079 O SER A 75 21.587 4.021 -27.139 1.00 0.00 O ATOM 1080 CB SER A 75 19.362 5.996 -25.816 1.00 0.00 C ATOM 1081 OG SER A 75 19.597 6.543 -24.528 1.00 0.00 O ATOM 0 H SER A 75 18.891 4.532 -23.875 1.00 0.00 H new ATOM 0 HA SER A 75 19.125 4.047 -26.685 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.998 6.494 -26.548 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.330 6.183 -26.111 1.00 0.00 H new ATOM 0 HG SER A 75 18.830 6.356 -23.948 1.00 0.00 H new ATOM 1087 N SER A 76 21.880 4.184 -24.924 1.00 0.00 N ATOM 1088 CA SER A 76 23.313 3.916 -25.003 1.00 0.00 C ATOM 1089 C SER A 76 23.571 2.493 -25.497 1.00 0.00 C ATOM 1090 O SER A 76 24.493 2.253 -26.279 1.00 0.00 O ATOM 1091 CB SER A 76 23.977 4.155 -23.645 1.00 0.00 C ATOM 1092 OG SER A 76 23.255 3.522 -22.604 1.00 0.00 O ATOM 0 H SER A 76 21.527 4.338 -23.980 1.00 0.00 H new ATOM 0 HA SER A 76 23.754 4.605 -25.723 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.999 3.776 -23.665 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.038 5.226 -23.450 1.00 0.00 H new ATOM 0 HG SER A 76 22.637 4.164 -22.197 1.00 0.00 H new ATOM 1098 N MET A 77 22.745 1.552 -25.052 1.00 0.00 N ATOM 1099 CA MET A 77 22.824 0.181 -25.546 1.00 0.00 C ATOM 1100 C MET A 77 22.356 0.117 -26.993 1.00 0.00 C ATOM 1101 O MET A 77 22.867 -0.670 -27.791 1.00 0.00 O ATOM 1102 CB MET A 77 21.979 -0.760 -24.691 1.00 0.00 C ATOM 1103 CG MET A 77 22.488 -0.925 -23.271 1.00 0.00 C ATOM 1104 SD MET A 77 21.529 -2.126 -22.334 1.00 0.00 S ATOM 1105 CE MET A 77 19.893 -1.400 -22.426 1.00 0.00 C ATOM 0 H MET A 77 22.018 1.711 -24.355 1.00 0.00 H new ATOM 0 HA MET A 77 23.864 -0.138 -25.487 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.956 -0.385 -24.658 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.945 -1.738 -25.170 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.532 -1.238 -23.296 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.456 0.038 -22.762 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.218 -1.939 -21.762 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.942 -0.354 -22.123 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.523 -1.465 -23.449 1.00 0.00 H new ATOM 1115 N ALA A 78 21.384 0.960 -27.321 1.00 0.00 N ATOM 1116 CA ALA A 78 20.864 1.051 -28.678 1.00 0.00 C ATOM 1117 C ALA A 78 21.949 1.500 -29.648 1.00 0.00 C ATOM 1118 O ALA A 78 22.001 1.038 -30.782 1.00 0.00 O ATOM 1119 CB ALA A 78 19.683 2.003 -28.728 1.00 0.00 C ATOM 0 H ALA A 78 20.938 1.595 -26.659 1.00 0.00 H new ATOM 0 HA ALA A 78 20.528 0.059 -28.980 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.305 2.061 -29.749 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.894 1.639 -28.069 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.000 2.994 -28.402 1.00 0.00 H new ATOM 1125 N GLU A 79 22.813 2.400 -29.189 1.00 0.00 N ATOM 1126 CA GLU A 79 23.954 2.852 -29.982 1.00 0.00 C ATOM 1127 C GLU A 79 24.821 1.662 -30.389 1.00 0.00 C ATOM 1128 O GLU A 79 25.226 1.532 -31.547 1.00 0.00 O ATOM 1129 CB GLU A 79 24.802 3.840 -29.178 1.00 0.00 C ATOM 1130 CG GLU A 79 24.059 5.089 -28.725 1.00 0.00 C ATOM 1131 CD GLU A 79 23.707 6.019 -29.868 1.00 0.00 C ATOM 1132 OE1 GLU A 79 24.576 6.256 -30.733 1.00 0.00 O ATOM 1133 OE2 GLU A 79 22.575 6.549 -29.888 1.00 0.00 O ATOM 0 H GLU A 79 22.745 2.833 -28.268 1.00 0.00 H new ATOM 0 HA GLU A 79 23.574 3.346 -30.876 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.197 3.329 -28.300 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.657 4.141 -29.783 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.145 4.794 -28.210 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.672 5.627 -28.002 1.00 0.00 H new ATOM 1140 N ILE A 80 25.078 0.791 -29.421 1.00 0.00 N ATOM 1141 CA ILE A 80 25.908 -0.392 -29.620 1.00 0.00 C ATOM 1142 C ILE A 80 25.212 -1.402 -30.527 1.00 0.00 C ATOM 1143 O ILE A 80 25.816 -1.957 -31.448 1.00 0.00 O ATOM 1144 CB ILE A 80 26.222 -1.053 -28.262 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.958 -0.062 -27.358 1.00 0.00 C ATOM 1146 CG2 ILE A 80 27.032 -2.327 -28.449 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.112 -0.541 -25.935 1.00 0.00 C ATOM 0 H ILE A 80 24.716 0.885 -28.472 1.00 0.00 H new ATOM 0 HA ILE A 80 26.836 -0.076 -30.097 1.00 0.00 H new ATOM 0 HB ILE A 80 25.283 -1.330 -27.784 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.946 0.133 -27.776 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.419 0.885 -27.357 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.239 -2.772 -27.476 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.466 -3.032 -29.058 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.972 -2.091 -28.948 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.643 0.212 -25.353 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.127 -0.709 -25.499 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.677 -1.473 -25.924 1.00 0.00 H new ATOM 1159 N ALA A 81 23.938 -1.636 -30.253 1.00 0.00 N ATOM 1160 CA ALA A 81 23.130 -2.555 -31.042 1.00 0.00 C ATOM 1161 C ALA A 81 22.941 -2.053 -32.475 1.00 0.00 C ATOM 1162 O ALA A 81 22.750 -2.846 -33.396 1.00 0.00 O ATOM 1163 CB ALA A 81 21.778 -2.747 -30.373 1.00 0.00 C ATOM 0 H ALA A 81 23.436 -1.197 -29.481 1.00 0.00 H new ATOM 0 HA ALA A 81 23.654 -3.509 -31.094 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.174 -3.435 -30.964 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.922 -3.157 -29.373 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.268 -1.786 -30.301 1.00 0.00 H new ATOM 1169 N ALA A 82 22.997 -0.737 -32.653 1.00 0.00 N ATOM 1170 CA ALA A 82 22.764 -0.119 -33.954 1.00 0.00 C ATOM 1171 C ALA A 82 23.913 -0.374 -34.922 1.00 0.00 C ATOM 1172 O ALA A 82 23.705 -0.492 -36.129 1.00 0.00 O ATOM 1173 CB ALA A 82 22.542 1.377 -33.798 1.00 0.00 C ATOM 0 H ALA A 82 23.203 -0.073 -31.906 1.00 0.00 H new ATOM 0 HA ALA A 82 21.868 -0.578 -34.373 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.370 1.823 -34.777 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.674 1.552 -33.162 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.423 1.830 -33.343 1.00 0.00 H new ATOM 1241 N SER A 89 20.774 -8.311 -36.771 1.00 0.00 N ATOM 1242 CA SER A 89 19.355 -8.291 -36.433 1.00 0.00 C ATOM 1243 C SER A 89 19.125 -7.506 -35.145 1.00 0.00 C ATOM 1244 O SER A 89 19.715 -7.811 -34.107 1.00 0.00 O ATOM 1245 CB SER A 89 18.812 -9.719 -36.274 1.00 0.00 C ATOM 1246 OG SER A 89 19.593 -10.470 -35.357 1.00 0.00 O ATOM 0 HA SER A 89 18.822 -7.803 -37.248 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.779 -9.681 -35.929 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.806 -10.218 -37.243 1.00 0.00 H new ATOM 0 HG SER A 89 19.972 -9.869 -34.682 1.00 0.00 H new ATOM 1252 N LEU A 90 18.281 -6.486 -35.210 1.00 0.00 N ATOM 1253 CA LEU A 90 17.939 -5.713 -34.023 1.00 0.00 C ATOM 1254 C LEU A 90 16.781 -6.370 -33.279 1.00 0.00 C ATOM 1255 O LEU A 90 16.649 -6.231 -32.061 1.00 0.00 O ATOM 1256 CB LEU A 90 17.573 -4.274 -34.399 1.00 0.00 C ATOM 1257 CG LEU A 90 17.168 -3.382 -33.220 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.349 -3.149 -32.291 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.607 -2.061 -33.718 1.00 0.00 C ATOM 0 H LEU A 90 17.822 -6.175 -36.066 1.00 0.00 H new ATOM 0 HA LEU A 90 18.811 -5.688 -33.369 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.424 -3.818 -34.905 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.752 -4.299 -35.116 1.00 0.00 H new ATOM 0 HG LEU A 90 16.388 -3.894 -32.656 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.039 -2.514 -31.461 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.702 -4.105 -31.904 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.154 -2.661 -32.841 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.325 -1.441 -32.867 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.363 -1.544 -34.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.729 -2.249 -34.337 1.00 0.00 H new ATOM 1271 N SER A 91 15.958 -7.100 -34.024 1.00 0.00 N ATOM 1272 CA SER A 91 14.789 -7.771 -33.473 1.00 0.00 C ATOM 1273 C SER A 91 15.180 -8.720 -32.341 1.00 0.00 C ATOM 1274 O SER A 91 14.551 -8.740 -31.286 1.00 0.00 O ATOM 1275 CB SER A 91 14.093 -8.547 -34.589 1.00 0.00 C ATOM 1276 OG SER A 91 14.135 -7.812 -35.802 1.00 0.00 O ATOM 0 H SER A 91 16.083 -7.242 -35.026 1.00 0.00 H new ATOM 0 HA SER A 91 14.113 -7.022 -33.060 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.577 -9.514 -34.725 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.058 -8.745 -34.312 1.00 0.00 H new ATOM 0 HG SER A 91 13.687 -8.322 -36.509 1.00 0.00 H new ATOM 1282 N THR A 92 16.237 -9.487 -32.563 1.00 0.00 N ATOM 1283 CA THR A 92 16.690 -10.461 -31.587 1.00 0.00 C ATOM 1284 C THR A 92 17.432 -9.782 -30.432 1.00 0.00 C ATOM 1285 O THR A 92 17.400 -10.251 -29.293 1.00 0.00 O ATOM 1286 CB THR A 92 17.615 -11.492 -32.256 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.046 -11.903 -33.508 1.00 0.00 O ATOM 1288 CG2 THR A 92 17.812 -12.706 -31.363 1.00 0.00 C ATOM 0 H THR A 92 16.797 -9.452 -33.414 1.00 0.00 H new ATOM 0 HA THR A 92 15.811 -10.966 -31.186 1.00 0.00 H new ATOM 0 HB THR A 92 18.587 -11.028 -32.424 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.636 -12.559 -33.936 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.470 -13.420 -31.859 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.260 -12.395 -30.419 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.848 -13.175 -31.169 1.00 0.00 H new ATOM 1296 N LYS A 93 18.087 -8.668 -30.738 1.00 0.00 N ATOM 1297 CA LYS A 93 18.871 -7.931 -29.750 1.00 0.00 C ATOM 1298 C LYS A 93 18.007 -7.429 -28.595 1.00 0.00 C ATOM 1299 O LYS A 93 18.373 -7.582 -27.430 1.00 0.00 O ATOM 1300 CB LYS A 93 19.583 -6.747 -30.403 1.00 0.00 C ATOM 1301 CG LYS A 93 20.732 -7.144 -31.312 1.00 0.00 C ATOM 1302 CD LYS A 93 21.463 -5.921 -31.837 1.00 0.00 C ATOM 1303 CE LYS A 93 22.692 -6.304 -32.644 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.334 -7.016 -33.897 1.00 0.00 N ATOM 0 H LYS A 93 18.091 -8.252 -31.669 1.00 0.00 H new ATOM 0 HA LYS A 93 19.609 -8.625 -29.347 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.858 -6.173 -30.980 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.962 -6.088 -29.622 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.428 -7.781 -30.766 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.352 -7.731 -32.148 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.788 -5.333 -32.459 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.760 -5.288 -31.001 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.261 -5.406 -32.887 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.340 -6.938 -32.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.721 -7.981 -33.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.299 -7.061 -33.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.731 -6.506 -34.712 1.00 0.00 H new ATOM 1318 N THR A 94 16.866 -6.841 -28.922 1.00 0.00 N ATOM 1319 CA THR A 94 15.995 -6.244 -27.918 1.00 0.00 C ATOM 1320 C THR A 94 15.521 -7.281 -26.898 1.00 0.00 C ATOM 1321 O THR A 94 15.550 -7.037 -25.687 1.00 0.00 O ATOM 1322 CB THR A 94 14.782 -5.563 -28.580 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.221 -6.424 -29.580 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.182 -4.238 -29.212 1.00 0.00 C ATOM 0 H THR A 94 16.520 -6.764 -29.878 1.00 0.00 H new ATOM 0 HA THR A 94 16.578 -5.490 -27.390 1.00 0.00 H new ATOM 0 HB THR A 94 14.037 -5.369 -27.808 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.450 -5.984 -29.995 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.309 -3.776 -29.673 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.581 -3.574 -28.445 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.944 -4.413 -29.972 1.00 0.00 H new ATOM 1332 N SER A 95 15.106 -8.441 -27.394 1.00 0.00 N ATOM 1333 CA SER A 95 14.653 -9.527 -26.544 1.00 0.00 C ATOM 1334 C SER A 95 15.800 -10.066 -25.687 1.00 0.00 C ATOM 1335 O SER A 95 15.601 -10.456 -24.537 1.00 0.00 O ATOM 1336 CB SER A 95 14.078 -10.639 -27.420 1.00 0.00 C ATOM 1337 OG SER A 95 13.079 -10.135 -28.293 1.00 0.00 O ATOM 0 H SER A 95 15.075 -8.651 -28.392 1.00 0.00 H new ATOM 0 HA SER A 95 13.882 -9.154 -25.870 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.877 -11.098 -28.003 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.654 -11.421 -26.790 1.00 0.00 H new ATOM 0 HG SER A 95 12.728 -10.865 -28.844 1.00 0.00 H new ATOM 1343 N SER A 96 17.001 -10.060 -26.252 1.00 0.00 N ATOM 1344 CA SER A 96 18.182 -10.572 -25.571 1.00 0.00 C ATOM 1345 C SER A 96 18.541 -9.729 -24.351 1.00 0.00 C ATOM 1346 O SER A 96 18.927 -10.264 -23.308 1.00 0.00 O ATOM 1347 CB SER A 96 19.353 -10.623 -26.547 1.00 0.00 C ATOM 1348 OG SER A 96 19.096 -11.553 -27.585 1.00 0.00 O ATOM 0 H SER A 96 17.183 -9.702 -27.190 1.00 0.00 H new ATOM 0 HA SER A 96 17.960 -11.578 -25.215 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.523 -9.634 -26.972 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.263 -10.903 -26.017 1.00 0.00 H new ATOM 0 HG SER A 96 18.392 -11.203 -28.171 1.00 0.00 H new ATOM 1354 N ILE A 97 18.413 -8.416 -24.477 1.00 0.00 N ATOM 1355 CA ILE A 97 18.680 -7.528 -23.357 1.00 0.00 C ATOM 1356 C ILE A 97 17.663 -7.767 -22.246 1.00 0.00 C ATOM 1357 O ILE A 97 18.018 -7.870 -21.075 1.00 0.00 O ATOM 1358 CB ILE A 97 18.641 -6.045 -23.777 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.665 -5.785 -24.886 1.00 0.00 C ATOM 1360 CG2 ILE A 97 18.916 -5.149 -22.576 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.654 -4.366 -25.410 1.00 0.00 C ATOM 0 H ILE A 97 18.128 -7.946 -25.336 1.00 0.00 H new ATOM 0 HA ILE A 97 19.684 -7.751 -22.997 1.00 0.00 H new ATOM 0 HB ILE A 97 17.647 -5.813 -24.160 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.661 -6.015 -24.508 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.472 -6.469 -25.713 1.00 0.00 H new ATOM 0 HG21 ILE A 97 18.886 -4.105 -22.887 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.159 -5.322 -21.812 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.901 -5.378 -22.169 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.406 -4.261 -26.192 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.670 -4.137 -25.820 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.878 -3.676 -24.596 1.00 0.00 H new ATOM 1373 N ALA A 98 16.401 -7.895 -22.637 1.00 0.00 N ATOM 1374 CA ALA A 98 15.310 -8.058 -21.686 1.00 0.00 C ATOM 1375 C ALA A 98 15.486 -9.304 -20.822 1.00 0.00 C ATOM 1376 O ALA A 98 15.340 -9.245 -19.600 1.00 0.00 O ATOM 1377 CB ALA A 98 13.981 -8.110 -22.419 1.00 0.00 C ATOM 0 H ALA A 98 16.107 -7.889 -23.614 1.00 0.00 H new ATOM 0 HA ALA A 98 15.323 -7.195 -21.020 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.172 -8.232 -21.698 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.835 -7.183 -22.974 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.980 -8.952 -23.111 1.00 0.00 H new ATOM 1383 N SER A 99 15.819 -10.423 -21.452 1.00 0.00 N ATOM 1384 CA SER A 99 15.953 -11.676 -20.755 1.00 0.00 C ATOM 1385 C SER A 99 17.167 -11.652 -19.840 1.00 0.00 C ATOM 1386 O SER A 99 17.101 -12.079 -18.686 1.00 0.00 O ATOM 1387 CB SER A 99 16.067 -12.786 -21.785 1.00 0.00 C ATOM 1388 OG SER A 99 16.831 -12.357 -22.898 1.00 0.00 O ATOM 0 H SER A 99 16.001 -10.478 -22.454 1.00 0.00 H new ATOM 0 HA SER A 99 15.079 -11.850 -20.127 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.533 -13.662 -21.333 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.073 -13.088 -22.114 1.00 0.00 H new ATOM 0 HG SER A 99 16.271 -11.809 -23.487 1.00 0.00 H new ATOM 1394 N ALA A 100 18.269 -11.135 -20.366 1.00 0.00 N ATOM 1395 CA ALA A 100 19.495 -10.985 -19.591 1.00 0.00 C ATOM 1396 C ALA A 100 19.264 -10.098 -18.369 1.00 0.00 C ATOM 1397 O ALA A 100 19.718 -10.419 -17.273 1.00 0.00 O ATOM 1398 CB ALA A 100 20.604 -10.413 -20.457 1.00 0.00 C ATOM 0 H ALA A 100 18.340 -10.811 -21.331 1.00 0.00 H new ATOM 0 HA ALA A 100 19.798 -11.972 -19.242 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.512 -10.308 -19.863 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.794 -11.084 -21.295 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.303 -9.436 -20.836 1.00 0.00 H new ATOM 1404 N MET A 101 18.548 -8.991 -18.557 1.00 0.00 N ATOM 1405 CA MET A 101 18.261 -8.075 -17.456 1.00 0.00 C ATOM 1406 C MET A 101 17.333 -8.723 -16.433 1.00 0.00 C ATOM 1407 O MET A 101 17.559 -8.621 -15.227 1.00 0.00 O ATOM 1408 CB MET A 101 17.633 -6.774 -17.957 1.00 0.00 C ATOM 1409 CG MET A 101 18.571 -5.915 -18.786 1.00 0.00 C ATOM 1410 SD MET A 101 17.922 -4.259 -19.063 1.00 0.00 S ATOM 1411 CE MET A 101 16.223 -4.638 -19.465 1.00 0.00 C ATOM 0 H MET A 101 18.158 -8.708 -19.456 1.00 0.00 H new ATOM 0 HA MET A 101 19.214 -7.842 -16.980 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.753 -7.014 -18.554 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.289 -6.195 -17.100 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.535 -5.845 -18.282 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.748 -6.398 -19.747 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.699 -3.721 -19.734 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.194 -5.332 -20.305 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.738 -5.093 -18.602 1.00 0.00 H new ATOM 1421 N SER A 102 16.288 -9.386 -16.920 1.00 0.00 N ATOM 1422 CA SER A 102 15.346 -10.086 -16.054 1.00 0.00 C ATOM 1423 C SER A 102 16.086 -11.117 -15.209 1.00 0.00 C ATOM 1424 O SER A 102 15.898 -11.202 -13.995 1.00 0.00 O ATOM 1425 CB SER A 102 14.262 -10.764 -16.906 1.00 0.00 C ATOM 1426 OG SER A 102 13.223 -11.298 -16.104 1.00 0.00 O ATOM 0 H SER A 102 16.072 -9.453 -17.915 1.00 0.00 H new ATOM 0 HA SER A 102 14.868 -9.369 -15.386 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.845 -10.041 -17.607 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.711 -11.561 -17.499 1.00 0.00 H new ATOM 0 HG SER A 102 12.550 -11.720 -16.678 1.00 0.00 H new ATOM 1432 N ASN A 103 16.951 -11.877 -15.865 1.00 0.00 N ATOM 1433 CA ASN A 103 17.784 -12.871 -15.201 1.00 0.00 C ATOM 1434 C ASN A 103 18.724 -12.213 -14.191 1.00 0.00 C ATOM 1435 O ASN A 103 18.930 -12.727 -13.098 1.00 0.00 O ATOM 1436 CB ASN A 103 18.583 -13.635 -16.261 1.00 0.00 C ATOM 1437 CG ASN A 103 19.660 -14.536 -15.688 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.504 -15.127 -14.621 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.767 -14.644 -16.406 1.00 0.00 N ATOM 0 H ASN A 103 17.096 -11.822 -16.873 1.00 0.00 H new ATOM 0 HA ASN A 103 17.147 -13.564 -14.651 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.896 -14.238 -16.855 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.046 -12.918 -16.940 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.531 -15.235 -16.079 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.856 -14.136 -17.286 1.00 0.00 H new ATOM 1446 N ALA A 104 19.270 -11.063 -14.553 1.00 0.00 N ATOM 1447 CA ALA A 104 20.216 -10.360 -13.700 1.00 0.00 C ATOM 1448 C ALA A 104 19.545 -9.814 -12.443 1.00 0.00 C ATOM 1449 O ALA A 104 20.108 -9.875 -11.348 1.00 0.00 O ATOM 1450 CB ALA A 104 20.882 -9.241 -14.479 1.00 0.00 C ATOM 0 H ALA A 104 19.073 -10.594 -15.437 1.00 0.00 H new ATOM 0 HA ALA A 104 20.975 -11.073 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.589 -8.719 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.412 -9.659 -15.335 1.00 0.00 H new ATOM 0 HB3 ALA A 104 20.124 -8.540 -14.829 1.00 0.00 H new ATOM 1456 N PHE A 105 18.339 -9.283 -12.596 1.00 0.00 N ATOM 1457 CA PHE A 105 17.595 -8.763 -11.458 1.00 0.00 C ATOM 1458 C PHE A 105 17.133 -9.925 -10.582 1.00 0.00 C ATOM 1459 O PHE A 105 17.026 -9.807 -9.359 1.00 0.00 O ATOM 1460 CB PHE A 105 16.404 -7.924 -11.934 1.00 0.00 C ATOM 1461 CG PHE A 105 15.866 -6.984 -10.892 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.625 -5.908 -10.458 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.608 -7.171 -10.347 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.137 -5.039 -9.501 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.113 -6.305 -9.390 1.00 0.00 C ATOM 1466 CZ PHE A 105 14.879 -5.238 -8.966 1.00 0.00 C ATOM 0 H PHE A 105 17.858 -9.202 -13.492 1.00 0.00 H new ATOM 0 HA PHE A 105 18.242 -8.114 -10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.705 -7.347 -12.809 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.605 -8.593 -12.253 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.609 -5.747 -10.873 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.005 -8.005 -10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.739 -4.205 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.129 -6.463 -8.975 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.496 -4.560 -8.218 1.00 0.00 H new ATOM 1476 N LEU A 106 16.895 -11.057 -11.227 1.00 0.00 N ATOM 1477 CA LEU A 106 16.553 -12.290 -10.560 1.00 0.00 C ATOM 1478 C LEU A 106 17.678 -12.759 -9.631 1.00 0.00 C ATOM 1479 O LEU A 106 17.434 -13.462 -8.654 1.00 0.00 O ATOM 1480 CB LEU A 106 16.299 -13.321 -11.649 1.00 0.00 C ATOM 1481 CG LEU A 106 15.435 -14.511 -11.282 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.134 -14.054 -10.643 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.161 -15.308 -12.540 1.00 0.00 C ATOM 0 H LEU A 106 16.936 -11.139 -12.243 1.00 0.00 H new ATOM 0 HA LEU A 106 15.672 -12.148 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.835 -12.813 -12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.263 -13.696 -11.992 1.00 0.00 H new ATOM 0 HG LEU A 106 15.955 -15.134 -10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.529 -14.924 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.353 -13.486 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.586 -13.424 -11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.540 -16.170 -12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.642 -14.679 -13.263 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.104 -15.649 -12.967 1.00 0.00 H new ATOM 1495 N GLN A 107 18.912 -12.361 -9.933 1.00 0.00 N ATOM 1496 CA GLN A 107 20.062 -12.803 -9.147 1.00 0.00 C ATOM 1497 C GLN A 107 20.451 -11.770 -8.098 1.00 0.00 C ATOM 1498 O GLN A 107 21.234 -12.061 -7.195 1.00 0.00 O ATOM 1499 CB GLN A 107 21.268 -13.087 -10.049 1.00 0.00 C ATOM 1500 CG GLN A 107 20.940 -13.955 -11.251 1.00 0.00 C ATOM 1501 CD GLN A 107 20.147 -15.194 -10.894 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.295 -15.765 -9.811 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.285 -15.604 -11.804 1.00 0.00 N ATOM 0 H GLN A 107 19.140 -11.739 -10.709 1.00 0.00 H new ATOM 0 HA GLN A 107 19.767 -13.722 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.681 -12.140 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.044 -13.576 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.375 -13.366 -11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.868 -14.254 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.197 -15.100 -12.686 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.707 -16.425 -11.625 1.00 0.00 H new ATOM 1512 N THR A 108 19.909 -10.570 -8.214 1.00 0.00 N ATOM 1513 CA THR A 108 20.262 -9.495 -7.308 1.00 0.00 C ATOM 1514 C THR A 108 19.217 -9.338 -6.217 1.00 0.00 C ATOM 1515 O THR A 108 19.528 -8.947 -5.091 1.00 0.00 O ATOM 1516 CB THR A 108 20.420 -8.172 -8.075 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.411 -8.073 -9.085 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.789 -8.084 -8.719 1.00 0.00 C ATOM 0 H THR A 108 19.224 -10.317 -8.926 1.00 0.00 H new ATOM 0 HA THR A 108 21.214 -9.750 -6.842 1.00 0.00 H new ATOM 0 HB THR A 108 20.313 -7.350 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.662 -8.627 -9.853 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.878 -7.140 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.558 -8.137 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.917 -8.912 -9.417 1.00 0.00 H new ATOM 1526 N THR A 109 17.978 -9.652 -6.560 1.00 0.00 N ATOM 1527 CA THR A 109 16.874 -9.535 -5.625 1.00 0.00 C ATOM 1528 C THR A 109 16.148 -10.866 -5.484 1.00 0.00 C ATOM 1529 O THR A 109 15.792 -11.287 -4.383 1.00 0.00 O ATOM 1530 CB THR A 109 15.877 -8.459 -6.095 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.266 -8.864 -7.330 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.585 -7.132 -6.305 1.00 0.00 C ATOM 0 H THR A 109 17.712 -9.991 -7.484 1.00 0.00 H new ATOM 0 HA THR A 109 17.284 -9.246 -4.658 1.00 0.00 H new ATOM 0 HB THR A 109 15.114 -8.341 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.961 -9.138 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.865 -6.384 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.038 -6.809 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.361 -7.249 -7.061 1.00 0.00 H new ATOM 1540 N GLY A 110 15.945 -11.531 -6.614 1.00 0.00 N ATOM 1541 CA GLY A 110 15.198 -12.768 -6.628 1.00 0.00 C ATOM 1542 C GLY A 110 13.820 -12.569 -7.216 1.00 0.00 C ATOM 1543 O GLY A 110 13.039 -13.513 -7.341 1.00 0.00 O ATOM 0 H GLY A 110 16.288 -11.231 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.739 -13.516 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.110 -13.154 -5.613 1.00 0.00 H new ATOM 1547 N VAL A 111 13.522 -11.325 -7.571 1.00 0.00 N ATOM 1548 CA VAL A 111 12.239 -10.972 -8.162 1.00 0.00 C ATOM 1549 C VAL A 111 12.467 -10.364 -9.539 1.00 0.00 C ATOM 1550 O VAL A 111 13.556 -9.872 -9.832 1.00 0.00 O ATOM 1551 CB VAL A 111 11.463 -9.967 -7.271 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.038 -9.775 -7.770 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.457 -10.422 -5.820 1.00 0.00 C ATOM 0 H VAL A 111 14.160 -10.537 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 111 11.641 -11.879 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 111 11.977 -9.008 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.519 -9.065 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.058 -9.391 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.514 -10.731 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.907 -9.701 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.977 -11.398 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.482 -10.493 -5.457 1.00 0.00 H new ATOM 1563 N VAL A 112 11.456 -10.430 -10.392 1.00 0.00 N ATOM 1564 CA VAL A 112 11.537 -9.832 -11.712 1.00 0.00 C ATOM 1565 C VAL A 112 10.773 -8.511 -11.753 1.00 0.00 C ATOM 1566 O VAL A 112 9.582 -8.466 -11.447 1.00 0.00 O ATOM 1567 CB VAL A 112 10.977 -10.774 -12.801 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.009 -10.099 -14.165 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.757 -12.082 -12.832 1.00 0.00 C ATOM 0 H VAL A 112 10.569 -10.893 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 112 12.593 -9.652 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 112 9.939 -10.999 -12.556 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.610 -10.780 -14.917 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.403 -9.194 -14.137 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.037 -9.840 -14.419 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.347 -12.732 -13.605 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.805 -11.876 -13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.678 -12.576 -11.864 1.00 0.00 H new ATOM 1579 N ASN A 113 11.466 -7.440 -12.118 1.00 0.00 N ATOM 1580 CA ASN A 113 10.833 -6.136 -12.279 1.00 0.00 C ATOM 1581 C ASN A 113 10.608 -5.863 -13.761 1.00 0.00 C ATOM 1582 O ASN A 113 11.535 -5.500 -14.488 1.00 0.00 O ATOM 1583 CB ASN A 113 11.693 -5.035 -11.644 1.00 0.00 C ATOM 1584 CG ASN A 113 10.994 -3.684 -11.587 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.217 -3.322 -12.469 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.261 -2.930 -10.530 1.00 0.00 N ATOM 0 H ASN A 113 12.468 -7.448 -12.309 1.00 0.00 H new ATOM 0 HA ASN A 113 9.870 -6.139 -11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.969 -5.336 -10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.619 -4.934 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.817 -2.018 -10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.911 -3.262 -9.818 1.00 0.00 H new ATOM 1593 N GLN A 114 9.375 -6.054 -14.196 1.00 0.00 N ATOM 1594 CA GLN A 114 9.030 -5.996 -15.611 1.00 0.00 C ATOM 1595 C GLN A 114 8.895 -4.553 -16.143 1.00 0.00 C ATOM 1596 O GLN A 114 9.419 -4.265 -17.221 1.00 0.00 O ATOM 1597 CB GLN A 114 7.739 -6.783 -15.864 1.00 0.00 C ATOM 1598 CG GLN A 114 7.419 -6.990 -17.335 1.00 0.00 C ATOM 1599 CD GLN A 114 8.506 -7.751 -18.068 1.00 0.00 C ATOM 1600 OE1 GLN A 114 8.505 -8.980 -18.104 1.00 0.00 O ATOM 1601 NE2 GLN A 114 9.429 -7.024 -18.675 1.00 0.00 N ATOM 0 H GLN A 114 8.585 -6.253 -13.583 1.00 0.00 H new ATOM 0 HA GLN A 114 9.855 -6.450 -16.160 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.818 -7.756 -15.380 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.908 -6.259 -15.392 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.478 -7.532 -17.425 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.275 -6.020 -17.811 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.394 -6.006 -18.621 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.176 -7.481 -19.198 1.00 0.00 H new ATOM 1610 N PRO A 115 8.185 -3.634 -15.426 1.00 0.00 N ATOM 1611 CA PRO A 115 7.966 -2.246 -15.885 1.00 0.00 C ATOM 1612 C PRO A 115 9.200 -1.583 -16.503 1.00 0.00 C ATOM 1613 O PRO A 115 9.130 -1.048 -17.613 1.00 0.00 O ATOM 1614 CB PRO A 115 7.567 -1.518 -14.604 1.00 0.00 C ATOM 1615 CG PRO A 115 6.859 -2.546 -13.798 1.00 0.00 C ATOM 1616 CD PRO A 115 7.509 -3.867 -14.127 1.00 0.00 C ATOM 0 HA PRO A 115 7.225 -2.215 -16.683 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.440 -1.133 -14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.921 -0.666 -14.816 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.940 -2.328 -12.733 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.796 -2.565 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.221 -4.162 -13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.771 -4.665 -14.201 1.00 0.00 H new ATOM 1624 N PHE A 116 10.327 -1.638 -15.799 1.00 0.00 N ATOM 1625 CA PHE A 116 11.538 -0.968 -16.254 1.00 0.00 C ATOM 1626 C PHE A 116 12.061 -1.628 -17.516 1.00 0.00 C ATOM 1627 O PHE A 116 12.479 -0.956 -18.459 1.00 0.00 O ATOM 1628 CB PHE A 116 12.621 -0.995 -15.170 1.00 0.00 C ATOM 1629 CG PHE A 116 12.346 -0.090 -13.999 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.577 -0.522 -12.932 1.00 0.00 C ATOM 1631 CD2 PHE A 116 12.861 1.196 -13.969 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.329 0.307 -11.855 1.00 0.00 C ATOM 1633 CE2 PHE A 116 12.618 2.031 -12.895 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.848 1.586 -11.838 1.00 0.00 C ATOM 0 H PHE A 116 10.426 -2.138 -14.915 1.00 0.00 H new ATOM 0 HA PHE A 116 11.287 0.071 -16.468 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.730 -2.017 -14.807 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.574 -0.712 -15.617 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.165 -1.520 -12.942 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.460 1.550 -14.795 1.00 0.00 H new ATOM 0 HE1 PHE A 116 10.730 -0.045 -11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 116 13.029 3.030 -12.882 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.652 2.238 -10.999 1.00 0.00 H new ATOM 1644 N ILE A 117 12.003 -2.952 -17.539 1.00 0.00 N ATOM 1645 CA ILE A 117 12.493 -3.712 -18.669 1.00 0.00 C ATOM 1646 C ILE A 117 11.708 -3.364 -19.931 1.00 0.00 C ATOM 1647 O ILE A 117 12.276 -3.261 -21.022 1.00 0.00 O ATOM 1648 CB ILE A 117 12.421 -5.230 -18.398 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.276 -5.579 -17.176 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.874 -6.023 -19.620 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.392 -7.066 -16.913 1.00 0.00 C ATOM 0 H ILE A 117 11.619 -3.519 -16.783 1.00 0.00 H new ATOM 0 HA ILE A 117 13.539 -3.444 -18.820 1.00 0.00 H new ATOM 0 HB ILE A 117 11.385 -5.501 -18.193 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.275 -5.165 -17.314 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.849 -5.097 -16.297 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.814 -7.090 -19.404 1.00 0.00 H new ATOM 0 HG22 ILE A 117 12.229 -5.787 -20.466 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.903 -5.759 -19.864 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.012 -7.232 -16.032 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.400 -7.484 -16.742 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.847 -7.554 -17.775 1.00 0.00 H new ATOM 1663 N ASN A 118 10.407 -3.152 -19.764 1.00 0.00 N ATOM 1664 CA ASN A 118 9.537 -2.775 -20.874 1.00 0.00 C ATOM 1665 C ASN A 118 9.996 -1.460 -21.485 1.00 0.00 C ATOM 1666 O ASN A 118 10.183 -1.360 -22.700 1.00 0.00 O ATOM 1667 CB ASN A 118 8.085 -2.631 -20.411 1.00 0.00 C ATOM 1668 CG ASN A 118 7.507 -3.912 -19.850 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.890 -5.013 -20.244 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.574 -3.771 -18.923 1.00 0.00 N ATOM 0 H ASN A 118 9.929 -3.235 -18.867 1.00 0.00 H new ATOM 0 HA ASN A 118 9.594 -3.567 -21.621 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.029 -1.852 -19.651 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.474 -2.302 -21.251 1.00 0.00 H new ATOM 0 HD21 ASN A 118 6.142 -4.595 -18.505 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.287 -2.838 -18.626 1.00 0.00 H new ATOM 1677 N GLU A 119 10.189 -0.455 -20.633 1.00 0.00 N ATOM 1678 CA GLU A 119 10.606 0.866 -21.084 1.00 0.00 C ATOM 1679 C GLU A 119 11.932 0.800 -21.834 1.00 0.00 C ATOM 1680 O GLU A 119 12.062 1.368 -22.919 1.00 0.00 O ATOM 1681 CB GLU A 119 10.712 1.834 -19.903 1.00 0.00 C ATOM 1682 CG GLU A 119 9.369 2.178 -19.277 1.00 0.00 C ATOM 1683 CD GLU A 119 9.475 3.262 -18.223 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.902 4.386 -18.561 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.108 3.005 -17.058 1.00 0.00 O ATOM 0 H GLU A 119 10.062 -0.533 -19.624 1.00 0.00 H new ATOM 0 HA GLU A 119 9.845 1.236 -21.771 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.357 1.396 -19.141 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.193 2.753 -20.239 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.681 2.502 -20.058 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.942 1.281 -18.828 1.00 0.00 H new ATOM 1692 N ILE A 120 12.908 0.101 -21.265 1.00 0.00 N ATOM 1693 CA ILE A 120 14.198 -0.064 -21.919 1.00 0.00 C ATOM 1694 C ILE A 120 14.046 -0.694 -23.308 1.00 0.00 C ATOM 1695 O ILE A 120 14.531 -0.139 -24.293 1.00 0.00 O ATOM 1696 CB ILE A 120 15.183 -0.898 -21.053 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.935 -0.001 -20.062 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.184 -1.655 -21.919 1.00 0.00 C ATOM 1699 CD1 ILE A 120 15.068 0.647 -19.006 1.00 0.00 C ATOM 0 H ILE A 120 12.830 -0.358 -20.357 1.00 0.00 H new ATOM 0 HA ILE A 120 14.619 0.934 -22.039 1.00 0.00 H new ATOM 0 HB ILE A 120 14.588 -1.623 -20.497 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.703 -0.595 -19.567 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.449 0.782 -20.620 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.857 -2.227 -21.281 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.650 -2.334 -22.584 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.762 -0.946 -22.512 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.688 1.261 -18.353 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.316 1.273 -19.486 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.574 -0.125 -18.416 1.00 0.00 H new ATOM 1711 N THR A 121 13.344 -1.824 -23.396 1.00 0.00 N ATOM 1712 CA THR A 121 13.266 -2.574 -24.651 1.00 0.00 C ATOM 1713 C THR A 121 12.681 -1.752 -25.802 1.00 0.00 C ATOM 1714 O THR A 121 13.202 -1.791 -26.921 1.00 0.00 O ATOM 1715 CB THR A 121 12.463 -3.880 -24.491 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.189 -3.626 -23.883 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.237 -4.883 -23.657 1.00 0.00 C ATOM 0 H THR A 121 12.825 -2.238 -22.621 1.00 0.00 H new ATOM 0 HA THR A 121 14.297 -2.819 -24.905 1.00 0.00 H new ATOM 0 HB THR A 121 12.300 -4.295 -25.486 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.131 -2.682 -23.628 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.654 -5.798 -23.555 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.185 -5.109 -24.146 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.429 -4.464 -22.669 1.00 0.00 H new ATOM 1725 N GLN A 122 11.619 -1.000 -25.535 1.00 0.00 N ATOM 1726 CA GLN A 122 10.974 -0.216 -26.584 1.00 0.00 C ATOM 1727 C GLN A 122 11.834 0.983 -26.983 1.00 0.00 C ATOM 1728 O GLN A 122 11.820 1.413 -28.137 1.00 0.00 O ATOM 1729 CB GLN A 122 9.573 0.225 -26.150 1.00 0.00 C ATOM 1730 CG GLN A 122 9.551 0.953 -24.827 1.00 0.00 C ATOM 1731 CD GLN A 122 8.146 1.265 -24.346 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.196 0.541 -24.645 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.006 2.343 -23.592 1.00 0.00 N ATOM 0 H GLN A 122 11.190 -0.916 -24.613 1.00 0.00 H new ATOM 0 HA GLN A 122 10.868 -0.851 -27.463 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.151 0.872 -26.918 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.929 -0.652 -26.083 1.00 0.00 H new ATOM 0 HG2 GLN A 122 10.060 0.348 -24.077 1.00 0.00 H new ATOM 0 HG3 GLN A 122 10.112 1.883 -24.921 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.819 2.917 -23.367 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.085 2.600 -23.236 1.00 0.00 H new ATOM 1742 N LEU A 123 12.600 1.505 -26.034 1.00 0.00 N ATOM 1743 CA LEU A 123 13.495 2.623 -26.308 1.00 0.00 C ATOM 1744 C LEU A 123 14.726 2.161 -27.073 1.00 0.00 C ATOM 1745 O LEU A 123 15.198 2.866 -27.963 1.00 0.00 O ATOM 1746 CB LEU A 123 13.901 3.332 -25.011 1.00 0.00 C ATOM 1747 CG LEU A 123 13.012 4.512 -24.597 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.560 4.086 -24.450 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.512 5.116 -23.297 1.00 0.00 C ATOM 0 H LEU A 123 12.620 1.174 -25.070 1.00 0.00 H new ATOM 0 HA LEU A 123 12.955 3.336 -26.931 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.903 2.600 -24.203 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.924 3.691 -25.119 1.00 0.00 H new ATOM 0 HG LEU A 123 13.065 5.263 -25.385 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.957 4.945 -24.156 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.197 3.696 -25.401 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.484 3.311 -23.687 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.872 5.952 -23.015 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.489 4.360 -22.512 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.534 5.470 -23.430 1.00 0.00 H new ATOM 1761 N VAL A 124 15.233 0.976 -26.737 1.00 0.00 N ATOM 1762 CA VAL A 124 16.362 0.398 -27.463 1.00 0.00 C ATOM 1763 C VAL A 124 16.039 0.311 -28.945 1.00 0.00 C ATOM 1764 O VAL A 124 16.784 0.803 -29.785 1.00 0.00 O ATOM 1765 CB VAL A 124 16.723 -1.018 -26.952 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.825 -1.634 -27.806 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.155 -0.974 -25.496 1.00 0.00 C ATOM 0 H VAL A 124 14.882 0.400 -25.971 1.00 0.00 H new ATOM 0 HA VAL A 124 17.217 1.053 -27.294 1.00 0.00 H new ATOM 0 HB VAL A 124 15.831 -1.640 -27.030 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.064 -2.629 -27.430 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.486 -1.708 -28.839 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.715 -1.006 -27.760 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.403 -1.981 -25.160 1.00 0.00 H new ATOM 0 HG22 VAL A 124 18.030 -0.331 -25.395 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.342 -0.578 -24.887 1.00 0.00 H new ATOM 1777 N SER A 125 14.901 -0.294 -29.240 1.00 0.00 N ATOM 1778 CA SER A 125 14.458 -0.488 -30.609 1.00 0.00 C ATOM 1779 C SER A 125 14.355 0.849 -31.346 1.00 0.00 C ATOM 1780 O SER A 125 14.909 1.017 -32.434 1.00 0.00 O ATOM 1781 CB SER A 125 13.107 -1.205 -30.600 1.00 0.00 C ATOM 1782 OG SER A 125 12.686 -1.547 -31.909 1.00 0.00 O ATOM 0 H SER A 125 14.260 -0.664 -28.538 1.00 0.00 H new ATOM 0 HA SER A 125 15.190 -1.098 -31.138 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.178 -2.108 -29.993 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.359 -0.565 -30.133 1.00 0.00 H new ATOM 0 HG SER A 125 11.821 -2.005 -31.865 1.00 0.00 H new ATOM 1788 N MET A 126 13.670 1.805 -30.726 1.00 0.00 N ATOM 1789 CA MET A 126 13.436 3.110 -31.330 1.00 0.00 C ATOM 1790 C MET A 126 14.742 3.880 -31.543 1.00 0.00 C ATOM 1791 O MET A 126 15.006 4.383 -32.635 1.00 0.00 O ATOM 1792 CB MET A 126 12.492 3.917 -30.438 1.00 0.00 C ATOM 1793 CG MET A 126 12.171 5.305 -30.962 1.00 0.00 C ATOM 1794 SD MET A 126 11.040 6.208 -29.883 1.00 0.00 S ATOM 1795 CE MET A 126 12.009 6.292 -28.379 1.00 0.00 C ATOM 0 H MET A 126 13.264 1.697 -29.796 1.00 0.00 H new ATOM 0 HA MET A 126 12.984 2.956 -32.310 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.561 3.362 -30.318 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.937 4.009 -29.447 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.096 5.872 -31.069 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.731 5.222 -31.956 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.643 7.107 -27.755 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.920 5.351 -27.836 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.055 6.469 -28.629 1.00 0.00 H new ATOM 1805 N PHE A 127 15.561 3.955 -30.500 1.00 0.00 N ATOM 1806 CA PHE A 127 16.796 4.730 -30.549 1.00 0.00 C ATOM 1807 C PHE A 127 17.848 4.076 -31.450 1.00 0.00 C ATOM 1808 O PHE A 127 18.683 4.765 -32.041 1.00 0.00 O ATOM 1809 CB PHE A 127 17.353 4.933 -29.134 1.00 0.00 C ATOM 1810 CG PHE A 127 16.645 6.002 -28.345 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.594 7.305 -28.811 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.045 5.706 -27.130 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.956 8.293 -28.084 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.404 6.689 -26.398 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.361 7.984 -26.876 1.00 0.00 C ATOM 0 H PHE A 127 15.392 3.488 -29.609 1.00 0.00 H new ATOM 0 HA PHE A 127 16.557 5.702 -30.982 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.287 3.991 -28.590 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.411 5.188 -29.204 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.058 7.553 -29.754 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.079 4.695 -26.751 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.923 9.305 -28.460 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.938 6.444 -25.455 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.863 8.754 -26.306 1.00 0.00 H new ATOM 1825 N ALA A 128 17.800 2.753 -31.569 1.00 0.00 N ATOM 1826 CA ALA A 128 18.773 2.021 -32.377 1.00 0.00 C ATOM 1827 C ALA A 128 18.611 2.321 -33.860 1.00 0.00 C ATOM 1828 O ALA A 128 19.593 2.506 -34.579 1.00 0.00 O ATOM 1829 CB ALA A 128 18.639 0.525 -32.148 1.00 0.00 C ATOM 0 H ALA A 128 17.099 2.165 -31.117 1.00 0.00 H new ATOM 0 HA ALA A 128 19.764 2.351 -32.065 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.372 -0.004 -32.758 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.814 0.301 -31.096 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.635 0.203 -32.426 1.00 0.00 H new ATOM 1835 N GLN A 129 17.367 2.372 -34.313 1.00 0.00 N ATOM 1836 CA GLN A 129 17.068 2.583 -35.726 1.00 0.00 C ATOM 1837 C GLN A 129 17.562 3.951 -36.190 1.00 0.00 C ATOM 1838 O GLN A 129 17.975 4.122 -37.341 1.00 0.00 O ATOM 1839 CB GLN A 129 15.561 2.451 -35.958 1.00 0.00 C ATOM 1840 CG GLN A 129 15.031 1.060 -35.643 1.00 0.00 C ATOM 1841 CD GLN A 129 15.326 0.059 -36.742 1.00 0.00 C ATOM 1842 OE1 GLN A 129 14.521 -0.143 -37.647 1.00 0.00 O ATOM 1843 NE2 GLN A 129 16.483 -0.575 -36.673 1.00 0.00 N ATOM 0 H GLN A 129 16.543 2.270 -33.721 1.00 0.00 H new ATOM 0 HA GLN A 129 17.588 1.824 -36.311 1.00 0.00 H new ATOM 0 HB2 GLN A 129 15.038 3.181 -35.340 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.336 2.693 -36.997 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.473 0.710 -34.710 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.954 1.113 -35.485 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.126 -0.380 -35.906 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.733 -1.259 -37.387 1.00 0.00 H new