USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 874 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 99 SER OG : rot 170:sc= -0.733 USER MOD Set 1.2: A 104 MET CE :methyl -178:sc= -0.295 (180deg=-0.209) USER MOD Set 2.1: A 51 ASN : amide:sc= -0.467 K(o=-3.3,f=-13!) USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= -2.83! C(o=-5.5!,f=-3.3!) USER MOD Single : A 1 TRP N :NH3+ -154:sc= 0.0202 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.11) USER MOD Single : A 6 THR OG1 : rot 39:sc= 0.0647 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -147:sc= -2.47 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -120:sc= -1.96! (180deg=-6.53!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.7!) USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.837 USER MOD Single : A 32 THR OG1 : rot 136:sc= -1.31 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.0312 (180deg=0.0214) USER MOD Single : A 42 ASN : amide:sc= -0.0822 X(o=-0.082,f=-0.56!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 48 THR OG1 : rot 61:sc= 0.967 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 57 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.08) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -5.81! C(o=-5.8!,f=-8.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.416 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00521 USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -5.94! (180deg=-6.68!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -4.79! C(o=-4.8!,f=-5.6!) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.65! F(o=-3.4,f=-1.6!) USER MOD Single : A 77 SER OG : rot 91:sc= -3.96 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc=-0.00738 X(o=-0.0074,f=-0.15) USER MOD Single : A 91 ASN : amide:sc= -6.19! C(o=-6.2!,f=-5.7!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -179:sc= -5.41! (180deg=-5.41!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 7.999 -15.055 6.995 1.00 0.00 N ATOM 2 CA TRP A 1 7.728 -16.290 6.215 1.00 0.00 C ATOM 3 C TRP A 1 6.401 -16.194 5.470 1.00 0.00 C ATOM 4 O TRP A 1 5.803 -15.122 5.384 1.00 0.00 O ATOM 5 CB TRP A 1 7.711 -17.479 7.179 1.00 0.00 C ATOM 6 CG TRP A 1 8.603 -18.603 6.752 1.00 0.00 C ATOM 7 CD1 TRP A 1 9.846 -18.497 6.196 1.00 0.00 C ATOM 8 CD2 TRP A 1 8.320 -20.004 6.843 1.00 0.00 C ATOM 9 NE1 TRP A 1 10.354 -19.747 5.937 1.00 0.00 N ATOM 10 CE2 TRP A 1 9.437 -20.688 6.325 1.00 0.00 C ATOM 11 CE3 TRP A 1 7.233 -20.746 7.312 1.00 0.00 C ATOM 12 CZ2 TRP A 1 9.495 -22.079 6.265 1.00 0.00 C ATOM 13 CZ3 TRP A 1 7.292 -22.126 7.252 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.416 -22.780 6.733 1.00 0.00 C ATOM 0 H1 TRP A 1 9.025 -14.942 7.120 1.00 0.00 H new ATOM 0 H2 TRP A 1 7.619 -14.232 6.485 1.00 0.00 H new ATOM 0 H3 TRP A 1 7.542 -15.126 7.927 1.00 0.00 H new ATOM 0 HA TRP A 1 8.511 -16.422 5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 1 8.016 -17.139 8.169 1.00 0.00 H new ATOM 0 HB3 TRP A 1 6.690 -17.849 7.269 1.00 0.00 H new ATOM 0 HD1 TRP A 1 10.355 -17.567 5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 1 11.266 -19.943 5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 1 6.362 -20.250 7.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 10.360 -22.586 5.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.457 -22.709 7.611 1.00 0.00 H new ATOM 0 HH2 TRP A 1 8.432 -23.859 6.701 1.00 0.00 H new ATOM 27 N VAL A 2 5.947 -17.322 4.932 1.00 0.00 N ATOM 28 CA VAL A 2 4.691 -17.366 4.195 1.00 0.00 C ATOM 29 C VAL A 2 3.560 -17.900 5.069 1.00 0.00 C ATOM 30 O VAL A 2 3.803 -18.584 6.062 1.00 0.00 O ATOM 31 CB VAL A 2 4.813 -18.244 2.935 1.00 0.00 C ATOM 32 CG1 VAL A 2 5.832 -17.655 1.973 1.00 0.00 C ATOM 33 CG2 VAL A 2 5.189 -19.671 3.309 1.00 0.00 C ATOM 0 H VAL A 2 6.431 -18.218 4.993 1.00 0.00 H new ATOM 0 HA VAL A 2 4.461 -16.344 3.895 1.00 0.00 H new ATOM 0 HB VAL A 2 3.844 -18.267 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.906 -18.288 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.518 -16.654 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.805 -17.600 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.270 -20.275 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.145 -19.670 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.421 -20.091 3.958 1.00 0.00 H new ATOM 43 N GLN A 3 2.324 -17.581 4.696 1.00 0.00 N ATOM 44 CA GLN A 3 1.162 -18.030 5.454 1.00 0.00 C ATOM 45 C GLN A 3 -0.039 -18.262 4.539 1.00 0.00 C ATOM 46 O GLN A 3 -0.806 -17.339 4.264 1.00 0.00 O ATOM 47 CB GLN A 3 0.804 -17.008 6.533 1.00 0.00 C ATOM 48 CG GLN A 3 0.201 -17.628 7.782 1.00 0.00 C ATOM 49 CD GLN A 3 1.230 -18.357 8.624 1.00 0.00 C ATOM 50 OE1 GLN A 3 2.239 -17.781 9.027 1.00 0.00 O ATOM 51 NE2 GLN A 3 0.976 -19.633 8.893 1.00 0.00 N ATOM 0 H GLN A 3 2.102 -17.015 3.877 1.00 0.00 H new ATOM 0 HA GLN A 3 1.419 -18.977 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.701 -16.454 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.099 -16.287 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.267 -16.847 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.587 -18.324 7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.126 -20.070 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.631 -20.176 9.455 1.00 0.00 H new ATOM 60 N PRO A 4 -0.221 -19.503 4.054 1.00 0.00 N ATOM 61 CA PRO A 4 -1.340 -19.849 3.172 1.00 0.00 C ATOM 62 C PRO A 4 -2.689 -19.567 3.821 1.00 0.00 C ATOM 63 O PRO A 4 -3.191 -20.368 4.611 1.00 0.00 O ATOM 64 CB PRO A 4 -1.165 -21.354 2.934 1.00 0.00 C ATOM 65 CG PRO A 4 0.264 -21.630 3.245 1.00 0.00 C ATOM 66 CD PRO A 4 0.641 -20.665 4.332 1.00 0.00 C ATOM 0 HA PRO A 4 -1.331 -19.260 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.828 -21.935 3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.404 -21.621 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.401 -22.661 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.890 -21.490 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.454 -21.079 5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.698 -20.403 4.291 1.00 0.00 H new ATOM 74 N ILE A 5 -3.271 -18.421 3.487 1.00 0.00 N ATOM 75 CA ILE A 5 -4.562 -18.029 4.039 1.00 0.00 C ATOM 76 C ILE A 5 -5.685 -18.903 3.488 1.00 0.00 C ATOM 77 O ILE A 5 -5.823 -19.066 2.276 1.00 0.00 O ATOM 78 CB ILE A 5 -4.872 -16.547 3.735 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.250 -16.156 4.278 1.00 0.00 C ATOM 80 CG2 ILE A 5 -4.796 -16.283 2.239 1.00 0.00 C ATOM 81 CD1 ILE A 5 -6.416 -16.411 5.762 1.00 0.00 C ATOM 0 H ILE A 5 -2.869 -17.747 2.836 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.503 -18.165 5.119 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.122 -15.934 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.422 -15.098 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.015 -16.711 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.017 -15.234 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.794 -16.516 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.522 -16.910 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.416 -16.110 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.277 -17.473 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.675 -15.835 6.315 1.00 0.00 H new ATOM 93 N THR A 6 -6.488 -19.459 4.389 1.00 0.00 N ATOM 94 CA THR A 6 -7.604 -20.311 3.996 1.00 0.00 C ATOM 95 C THR A 6 -8.830 -19.468 3.667 1.00 0.00 C ATOM 96 O THR A 6 -9.267 -18.647 4.473 1.00 0.00 O ATOM 97 CB THR A 6 -7.938 -21.301 5.116 1.00 0.00 C ATOM 98 OG1 THR A 6 -8.085 -20.628 6.353 1.00 0.00 O ATOM 99 CG2 THR A 6 -6.889 -22.376 5.298 1.00 0.00 C ATOM 0 H THR A 6 -6.387 -19.335 5.396 1.00 0.00 H new ATOM 0 HA THR A 6 -7.312 -20.868 3.106 1.00 0.00 H new ATOM 0 HB THR A 6 -8.871 -21.776 4.812 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.539 -19.772 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.188 -23.043 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.789 -22.947 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.933 -21.914 5.544 1.00 0.00 H new ATOM 107 N ALA A 7 -9.379 -19.670 2.473 1.00 0.00 N ATOM 108 CA ALA A 7 -10.550 -18.923 2.036 1.00 0.00 C ATOM 109 C ALA A 7 -10.230 -17.437 1.901 1.00 0.00 C ATOM 110 O ALA A 7 -9.082 -17.025 2.063 1.00 0.00 O ATOM 111 CB ALA A 7 -11.706 -19.131 3.006 1.00 0.00 C ATOM 0 H ALA A 7 -9.031 -20.345 1.792 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.845 -19.298 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.573 -18.566 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.958 -20.191 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.415 -18.786 3.998 1.00 0.00 H new ATOM 117 N GLN A 8 -11.248 -16.640 1.599 1.00 0.00 N ATOM 118 CA GLN A 8 -11.070 -15.201 1.440 1.00 0.00 C ATOM 119 C GLN A 8 -11.236 -14.477 2.771 1.00 0.00 C ATOM 120 O GLN A 8 -12.333 -14.423 3.330 1.00 0.00 O ATOM 121 CB GLN A 8 -12.069 -14.652 0.420 1.00 0.00 C ATOM 122 CG GLN A 8 -13.516 -14.982 0.748 1.00 0.00 C ATOM 123 CD GLN A 8 -14.176 -15.840 -0.313 1.00 0.00 C ATOM 124 OE1 GLN A 8 -14.511 -15.361 -1.397 1.00 0.00 O ATOM 125 NE2 GLN A 8 -14.366 -17.118 -0.007 1.00 0.00 N ATOM 0 H GLN A 8 -12.205 -16.965 1.459 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.057 -15.026 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.956 -13.569 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.828 -15.053 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.558 -15.500 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.079 -14.055 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.073 -17.473 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.805 -17.744 -0.682 1.00 0.00 H new ATOM 134 N LYS A 9 -10.140 -13.918 3.272 1.00 0.00 N ATOM 135 CA LYS A 9 -10.157 -13.192 4.534 1.00 0.00 C ATOM 136 C LYS A 9 -9.104 -12.089 4.533 1.00 0.00 C ATOM 137 O LYS A 9 -8.225 -12.061 3.670 1.00 0.00 O ATOM 138 CB LYS A 9 -9.910 -14.150 5.702 1.00 0.00 C ATOM 139 CG LYS A 9 -11.114 -15.010 6.045 1.00 0.00 C ATOM 140 CD LYS A 9 -10.960 -15.668 7.406 1.00 0.00 C ATOM 141 CE LYS A 9 -10.019 -16.861 7.348 1.00 0.00 C ATOM 142 NZ LYS A 9 -10.546 -18.022 8.118 1.00 0.00 N ATOM 0 H LYS A 9 -9.226 -13.955 2.821 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.140 -12.736 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.068 -14.798 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.624 -13.572 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.015 -14.396 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.244 -15.777 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.581 -14.939 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.936 -15.991 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.867 -17.153 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.045 -16.575 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.876 -18.814 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.667 -17.751 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.464 -18.312 7.724 1.00 0.00 H new ATOM 156 N PRO A 10 -9.175 -11.161 5.500 1.00 0.00 N ATOM 157 CA PRO A 10 -8.231 -10.054 5.610 1.00 0.00 C ATOM 158 C PRO A 10 -6.940 -10.461 6.318 1.00 0.00 C ATOM 159 O PRO A 10 -6.470 -9.765 7.219 1.00 0.00 O ATOM 160 CB PRO A 10 -8.994 -9.005 6.439 1.00 0.00 C ATOM 161 CG PRO A 10 -10.306 -9.630 6.814 1.00 0.00 C ATOM 162 CD PRO A 10 -10.178 -11.107 6.563 1.00 0.00 C ATOM 0 HA PRO A 10 -7.917 -9.691 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.428 -8.727 7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.149 -8.093 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.540 -9.436 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.118 -9.207 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.854 -11.644 7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.124 -11.549 6.251 1.00 0.00 H new ATOM 170 N SER A 11 -6.368 -11.589 5.907 1.00 0.00 N ATOM 171 CA SER A 11 -5.132 -12.076 6.505 1.00 0.00 C ATOM 172 C SER A 11 -4.357 -12.948 5.523 1.00 0.00 C ATOM 173 O SER A 11 -4.746 -14.083 5.249 1.00 0.00 O ATOM 174 CB SER A 11 -5.435 -12.869 7.777 1.00 0.00 C ATOM 175 OG SER A 11 -6.594 -13.670 7.615 1.00 0.00 O ATOM 0 H SER A 11 -6.740 -12.181 5.164 1.00 0.00 H new ATOM 0 HA SER A 11 -4.517 -11.213 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.583 -13.502 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.577 -12.183 8.612 1.00 0.00 H new ATOM 0 HG SER A 11 -6.765 -14.168 8.441 1.00 0.00 H new ATOM 181 N LEU A 12 -3.261 -12.414 4.998 1.00 0.00 N ATOM 182 CA LEU A 12 -2.434 -13.148 4.049 1.00 0.00 C ATOM 183 C LEU A 12 -0.987 -12.683 4.129 1.00 0.00 C ATOM 184 O LEU A 12 -0.710 -11.484 4.123 1.00 0.00 O ATOM 185 CB LEU A 12 -2.966 -12.961 2.626 1.00 0.00 C ATOM 186 CG LEU A 12 -2.122 -13.596 1.517 1.00 0.00 C ATOM 187 CD1 LEU A 12 -1.591 -14.954 1.950 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.936 -13.724 0.238 1.00 0.00 C ATOM 0 H LEU A 12 -2.925 -11.476 5.213 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.474 -14.207 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.972 -13.377 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.052 -11.893 2.427 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.269 -12.945 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.995 -15.385 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.970 -14.836 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.427 -15.616 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.322 -14.177 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.808 -14.351 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.262 -12.736 -0.086 1.00 0.00 H new ATOM 200 N THR A 13 -0.067 -13.636 4.212 1.00 0.00 N ATOM 201 CA THR A 13 1.349 -13.313 4.301 1.00 0.00 C ATOM 202 C THR A 13 2.033 -13.432 2.944 1.00 0.00 C ATOM 203 O THR A 13 2.164 -14.524 2.391 1.00 0.00 O ATOM 204 CB THR A 13 2.038 -14.230 5.314 1.00 0.00 C ATOM 205 OG1 THR A 13 1.286 -14.304 6.513 1.00 0.00 O ATOM 206 CG2 THR A 13 3.435 -13.777 5.675 1.00 0.00 C ATOM 0 H THR A 13 -0.276 -14.634 4.219 1.00 0.00 H new ATOM 0 HA THR A 13 1.434 -12.279 4.634 1.00 0.00 H new ATOM 0 HB THR A 13 2.104 -15.203 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.894 -14.410 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.867 -14.470 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.054 -13.755 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.393 -12.779 6.111 1.00 0.00 H new ATOM 214 N LEU A 14 2.486 -12.296 2.431 1.00 0.00 N ATOM 215 CA LEU A 14 3.187 -12.244 1.154 1.00 0.00 C ATOM 216 C LEU A 14 4.387 -11.329 1.278 1.00 0.00 C ATOM 217 O LEU A 14 4.544 -10.649 2.289 1.00 0.00 O ATOM 218 CB LEU A 14 2.276 -11.731 0.039 1.00 0.00 C ATOM 219 CG LEU A 14 0.933 -12.452 -0.099 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.180 -11.952 -1.323 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.128 -13.960 -0.172 1.00 0.00 C ATOM 0 H LEU A 14 2.379 -11.389 2.885 1.00 0.00 H new ATOM 0 HA LEU A 14 3.505 -13.255 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.084 -10.672 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.810 -11.810 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 14 0.339 -12.230 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.772 -12.477 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.002 -10.882 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.774 -12.139 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.158 -14.448 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.746 -14.206 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.619 -14.308 0.737 1.00 0.00 H new ATOM 233 N TRP A 15 5.237 -11.307 0.263 1.00 0.00 N ATOM 234 CA TRP A 15 6.412 -10.460 0.313 1.00 0.00 C ATOM 235 C TRP A 15 6.225 -9.174 -0.476 1.00 0.00 C ATOM 236 O TRP A 15 5.454 -9.109 -1.429 1.00 0.00 O ATOM 237 CB TRP A 15 7.663 -11.235 -0.132 1.00 0.00 C ATOM 238 CG TRP A 15 7.953 -11.261 -1.612 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.172 -10.827 -2.653 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.146 -11.783 -2.206 1.00 0.00 C ATOM 241 NE1 TRP A 15 7.825 -11.038 -3.844 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.029 -11.624 -3.596 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.307 -12.364 -1.693 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.025 -12.028 -4.480 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.293 -12.765 -2.570 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.147 -12.595 -3.951 1.00 0.00 C ATOM 0 H TRP A 15 5.136 -11.857 -0.590 1.00 0.00 H new ATOM 0 HA TRP A 15 6.560 -10.161 1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.527 -10.807 0.377 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.567 -12.264 0.214 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.191 -10.386 -2.552 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.465 -10.794 -4.767 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.431 -12.497 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.914 -11.897 -5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.194 -13.218 -2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.938 -12.919 -4.611 1.00 0.00 H new ATOM 257 N LEU A 16 6.931 -8.148 -0.044 1.00 0.00 N ATOM 258 CA LEU A 16 6.864 -6.843 -0.680 1.00 0.00 C ATOM 259 C LEU A 16 8.232 -6.172 -0.661 1.00 0.00 C ATOM 260 O LEU A 16 8.926 -6.193 0.355 1.00 0.00 O ATOM 261 CB LEU A 16 5.827 -5.960 0.020 1.00 0.00 C ATOM 262 CG LEU A 16 6.073 -5.735 1.511 1.00 0.00 C ATOM 263 CD1 LEU A 16 5.458 -4.419 1.961 1.00 0.00 C ATOM 264 CD2 LEU A 16 5.511 -6.893 2.323 1.00 0.00 C ATOM 0 H LEU A 16 7.565 -8.192 0.754 1.00 0.00 H new ATOM 0 HA LEU A 16 6.559 -6.979 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.800 -4.991 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.843 -6.411 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 16 7.149 -5.686 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.643 -4.276 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.906 -3.598 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.383 -4.439 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.695 -6.717 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.438 -6.972 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.997 -7.820 2.020 1.00 0.00 H new ATOM 276 N ASP A 17 8.621 -5.588 -1.789 1.00 0.00 N ATOM 277 CA ASP A 17 9.912 -4.920 -1.894 1.00 0.00 C ATOM 278 C ASP A 17 11.043 -5.869 -1.502 1.00 0.00 C ATOM 279 O ASP A 17 12.038 -5.454 -0.910 1.00 0.00 O ATOM 280 CB ASP A 17 9.943 -3.676 -1.005 1.00 0.00 C ATOM 281 CG ASP A 17 9.065 -2.562 -1.542 1.00 0.00 C ATOM 282 OD1 ASP A 17 9.503 -1.858 -2.475 1.00 0.00 O ATOM 283 OD2 ASP A 17 7.939 -2.394 -1.028 1.00 0.00 O ATOM 0 H ASP A 17 8.062 -5.564 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 17 10.055 -4.617 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.615 -3.942 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.969 -3.318 -0.921 1.00 0.00 H new ATOM 288 N ASP A 18 10.876 -7.146 -1.834 1.00 0.00 N ATOM 289 CA ASP A 18 11.876 -8.163 -1.519 1.00 0.00 C ATOM 290 C ASP A 18 11.946 -8.407 -0.013 1.00 0.00 C ATOM 291 O ASP A 18 13.026 -8.595 0.546 1.00 0.00 O ATOM 292 CB ASP A 18 13.251 -7.748 -2.055 1.00 0.00 C ATOM 293 CG ASP A 18 13.675 -8.572 -3.255 1.00 0.00 C ATOM 294 OD1 ASP A 18 12.988 -8.500 -4.296 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.692 -9.288 -3.153 1.00 0.00 O ATOM 0 H ASP A 18 10.055 -7.503 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 18 11.579 -9.093 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.227 -6.694 -2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.994 -7.854 -1.264 1.00 0.00 H new ATOM 300 N LYS A 19 10.787 -8.405 0.635 1.00 0.00 N ATOM 301 CA LYS A 19 10.717 -8.628 2.075 1.00 0.00 C ATOM 302 C LYS A 19 9.358 -9.193 2.474 1.00 0.00 C ATOM 303 O LYS A 19 8.332 -8.527 2.335 1.00 0.00 O ATOM 304 CB LYS A 19 10.981 -7.323 2.827 1.00 0.00 C ATOM 305 CG LYS A 19 11.938 -7.481 3.997 1.00 0.00 C ATOM 306 CD LYS A 19 12.660 -6.180 4.309 1.00 0.00 C ATOM 307 CE LYS A 19 11.775 -5.223 5.092 1.00 0.00 C ATOM 308 NZ LYS A 19 11.212 -4.150 4.226 1.00 0.00 N ATOM 0 H LYS A 19 9.884 -8.252 0.187 1.00 0.00 H new ATOM 0 HA LYS A 19 11.484 -9.355 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.387 -6.588 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.034 -6.926 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.386 -7.812 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.668 -8.257 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.563 -6.392 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.976 -5.706 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.961 -5.779 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.353 -4.772 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.615 -3.519 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.988 -3.602 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.639 -4.578 3.471 1.00 0.00 H new ATOM 322 N MET A 20 9.356 -10.428 2.965 1.00 0.00 N ATOM 323 CA MET A 20 8.121 -11.084 3.380 1.00 0.00 C ATOM 324 C MET A 20 7.448 -10.324 4.522 1.00 0.00 C ATOM 325 O MET A 20 8.116 -9.748 5.381 1.00 0.00 O ATOM 326 CB MET A 20 8.398 -12.529 3.794 1.00 0.00 C ATOM 327 CG MET A 20 7.568 -13.550 3.029 1.00 0.00 C ATOM 328 SD MET A 20 8.476 -14.310 1.665 1.00 0.00 S ATOM 329 CE MET A 20 7.149 -14.645 0.507 1.00 0.00 C ATOM 0 H MET A 20 10.196 -10.995 3.085 1.00 0.00 H new ATOM 0 HA MET A 20 7.440 -11.086 2.529 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.455 -12.746 3.643 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.200 -12.637 4.860 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.235 -14.328 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.674 -13.065 2.638 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.100 -15.716 0.310 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.203 -14.310 0.931 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.337 -14.113 -0.426 1.00 0.00 H new ATOM 339 N PHE A 21 6.119 -10.329 4.518 1.00 0.00 N ATOM 340 CA PHE A 21 5.335 -9.646 5.541 1.00 0.00 C ATOM 341 C PHE A 21 3.865 -10.046 5.447 1.00 0.00 C ATOM 342 O PHE A 21 3.494 -10.877 4.619 1.00 0.00 O ATOM 343 CB PHE A 21 5.478 -8.129 5.404 1.00 0.00 C ATOM 344 CG PHE A 21 5.669 -7.423 6.717 1.00 0.00 C ATOM 345 CD1 PHE A 21 6.875 -7.505 7.393 1.00 0.00 C ATOM 346 CD2 PHE A 21 4.642 -6.676 7.272 1.00 0.00 C ATOM 347 CE1 PHE A 21 7.054 -6.858 8.601 1.00 0.00 C ATOM 348 CE2 PHE A 21 4.816 -6.026 8.479 1.00 0.00 C ATOM 349 CZ PHE A 21 6.022 -6.118 9.145 1.00 0.00 C ATOM 0 H PHE A 21 5.558 -10.803 3.810 1.00 0.00 H new ATOM 0 HA PHE A 21 5.715 -9.945 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.326 -7.909 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.590 -7.731 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.685 -8.081 6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.696 -6.601 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.999 -6.931 9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.009 -5.446 8.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.158 -5.612 10.090 1.00 0.00 H new ATOM 359 N THR A 22 3.033 -9.459 6.302 1.00 0.00 N ATOM 360 CA THR A 22 1.607 -9.772 6.309 1.00 0.00 C ATOM 361 C THR A 22 0.775 -8.619 5.752 1.00 0.00 C ATOM 362 O THR A 22 1.266 -7.501 5.588 1.00 0.00 O ATOM 363 CB THR A 22 1.145 -10.110 7.726 1.00 0.00 C ATOM 364 OG1 THR A 22 2.248 -10.429 8.555 1.00 0.00 O ATOM 365 CG2 THR A 22 0.181 -11.276 7.776 1.00 0.00 C ATOM 0 H THR A 22 3.319 -8.768 6.995 1.00 0.00 H new ATOM 0 HA THR A 22 1.457 -10.638 5.664 1.00 0.00 H new ATOM 0 HB THR A 22 0.632 -9.217 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.929 -10.640 9.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.108 -11.465 8.810 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.706 -11.040 7.188 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.662 -12.164 7.366 1.00 0.00 H new ATOM 373 N GLY A 23 -0.490 -8.909 5.466 1.00 0.00 N ATOM 374 CA GLY A 23 -1.394 -7.905 4.931 1.00 0.00 C ATOM 375 C GLY A 23 -2.834 -8.386 4.931 1.00 0.00 C ATOM 376 O GLY A 23 -3.086 -9.591 4.943 1.00 0.00 O ATOM 0 H GLY A 23 -0.909 -9.830 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.315 -6.993 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.095 -7.652 3.914 1.00 0.00 H new ATOM 380 N LEU A 24 -3.782 -7.454 4.930 1.00 0.00 N ATOM 381 CA LEU A 24 -5.188 -7.805 4.942 1.00 0.00 C ATOM 382 C LEU A 24 -5.763 -7.863 3.530 1.00 0.00 C ATOM 383 O LEU A 24 -5.762 -6.866 2.807 1.00 0.00 O ATOM 384 CB LEU A 24 -5.956 -6.790 5.778 1.00 0.00 C ATOM 385 CG LEU A 24 -5.355 -6.502 7.157 1.00 0.00 C ATOM 386 CD1 LEU A 24 -4.891 -5.056 7.252 1.00 0.00 C ATOM 387 CD2 LEU A 24 -6.361 -6.813 8.255 1.00 0.00 C ATOM 0 H LEU A 24 -3.597 -6.451 4.921 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.289 -8.798 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.016 -5.855 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.977 -7.149 5.911 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.488 -7.148 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.468 -4.874 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.133 -4.866 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.739 -4.390 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.915 -6.602 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.249 -6.195 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.641 -7.865 8.205 1.00 0.00 H new ATOM 399 N ILE A 25 -6.258 -9.035 3.146 1.00 0.00 N ATOM 400 CA ILE A 25 -6.842 -9.219 1.823 1.00 0.00 C ATOM 401 C ILE A 25 -8.339 -8.941 1.850 1.00 0.00 C ATOM 402 O ILE A 25 -9.111 -9.701 2.437 1.00 0.00 O ATOM 403 CB ILE A 25 -6.616 -10.647 1.287 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.198 -11.121 1.604 1.00 0.00 C ATOM 405 CG2 ILE A 25 -6.873 -10.695 -0.211 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.123 -10.319 0.903 1.00 0.00 C ATOM 0 H ILE A 25 -6.266 -9.870 3.731 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.343 -8.512 1.161 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.319 -11.318 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.037 -11.066 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.102 -12.169 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.710 -11.709 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.902 -10.398 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.192 -10.012 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.142 -10.710 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.258 -10.394 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.193 -9.274 1.206 1.00 0.00 H new ATOM 418 N ASN A 26 -8.745 -7.853 1.210 1.00 0.00 N ATOM 419 CA ASN A 26 -10.151 -7.482 1.161 1.00 0.00 C ATOM 420 C ASN A 26 -10.721 -7.716 -0.232 1.00 0.00 C ATOM 421 O ASN A 26 -10.202 -7.200 -1.221 1.00 0.00 O ATOM 422 CB ASN A 26 -10.333 -6.018 1.565 1.00 0.00 C ATOM 423 CG ASN A 26 -9.417 -5.088 0.796 1.00 0.00 C ATOM 424 OD1 ASN A 26 -9.834 -4.443 -0.167 1.00 0.00 O ATOM 425 ND2 ASN A 26 -8.160 -5.013 1.219 1.00 0.00 N ATOM 0 H ASN A 26 -8.121 -7.213 0.718 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.693 -8.110 1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.369 -5.724 1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.141 -5.912 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.497 -4.403 0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.858 -5.566 2.021 1.00 0.00 H new ATOM 432 N THR A 27 -11.793 -8.497 -0.301 1.00 0.00 N ATOM 433 CA THR A 27 -12.438 -8.801 -1.574 1.00 0.00 C ATOM 434 C THR A 27 -13.354 -7.661 -2.022 1.00 0.00 C ATOM 435 O THR A 27 -14.081 -7.791 -3.007 1.00 0.00 O ATOM 436 CB THR A 27 -13.235 -10.102 -1.462 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.773 -10.470 -2.721 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.382 -10.017 -0.480 1.00 0.00 C ATOM 0 H THR A 27 -12.234 -8.932 0.509 1.00 0.00 H new ATOM 0 HA THR A 27 -11.658 -8.920 -2.326 1.00 0.00 H new ATOM 0 HB THR A 27 -12.525 -10.847 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.032 -9.664 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.906 -10.972 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.995 -9.782 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.073 -9.235 -0.794 1.00 0.00 H new ATOM 446 N GLY A 28 -13.316 -6.545 -1.294 1.00 0.00 N ATOM 447 CA GLY A 28 -14.144 -5.407 -1.637 1.00 0.00 C ATOM 448 C GLY A 28 -13.324 -4.164 -1.921 1.00 0.00 C ATOM 449 O GLY A 28 -13.772 -3.044 -1.677 1.00 0.00 O ATOM 0 H GLY A 28 -12.725 -6.412 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.747 -5.650 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.836 -5.204 -0.820 1.00 0.00 H new ATOM 453 N ALA A 29 -12.117 -4.366 -2.441 1.00 0.00 N ATOM 454 CA ALA A 29 -11.227 -3.262 -2.763 1.00 0.00 C ATOM 455 C ALA A 29 -11.787 -2.432 -3.914 1.00 0.00 C ATOM 456 O ALA A 29 -12.374 -2.970 -4.852 1.00 0.00 O ATOM 457 CB ALA A 29 -9.848 -3.789 -3.119 1.00 0.00 C ATOM 0 H ALA A 29 -11.734 -5.289 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.146 -2.620 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.190 -2.954 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.440 -4.341 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.923 -4.451 -3.982 1.00 0.00 H new ATOM 463 N ASP A 30 -11.595 -1.123 -3.838 1.00 0.00 N ATOM 464 CA ASP A 30 -12.072 -0.216 -4.876 1.00 0.00 C ATOM 465 C ASP A 30 -10.969 0.756 -5.275 1.00 0.00 C ATOM 466 O ASP A 30 -10.709 0.970 -6.459 1.00 0.00 O ATOM 467 CB ASP A 30 -13.298 0.557 -4.387 1.00 0.00 C ATOM 468 CG ASP A 30 -13.073 1.196 -3.031 1.00 0.00 C ATOM 469 OD1 ASP A 30 -12.694 0.471 -2.089 1.00 0.00 O ATOM 470 OD2 ASP A 30 -13.277 2.423 -2.912 1.00 0.00 O ATOM 0 H ASP A 30 -11.111 -0.663 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.355 -0.807 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.550 1.330 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.152 -0.118 -4.331 1.00 0.00 H new ATOM 475 N VAL A 31 -10.317 1.327 -4.271 1.00 0.00 N ATOM 476 CA VAL A 31 -9.229 2.266 -4.494 1.00 0.00 C ATOM 477 C VAL A 31 -8.075 1.969 -3.551 1.00 0.00 C ATOM 478 O VAL A 31 -8.126 2.317 -2.378 1.00 0.00 O ATOM 479 CB VAL A 31 -9.683 3.722 -4.283 1.00 0.00 C ATOM 480 CG1 VAL A 31 -10.521 4.194 -5.458 1.00 0.00 C ATOM 481 CG2 VAL A 31 -10.455 3.859 -2.978 1.00 0.00 C ATOM 0 H VAL A 31 -10.526 1.154 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.907 2.147 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.797 4.354 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.833 5.225 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.930 4.137 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.402 3.559 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.767 4.895 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.335 3.216 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.817 3.564 -2.145 1.00 0.00 H new ATOM 491 N THR A 32 -7.046 1.309 -4.059 1.00 0.00 N ATOM 492 CA THR A 32 -5.890 0.954 -3.246 1.00 0.00 C ATOM 493 C THR A 32 -5.283 2.176 -2.558 1.00 0.00 C ATOM 494 O THR A 32 -4.555 2.954 -3.170 1.00 0.00 O ATOM 495 CB THR A 32 -4.833 0.262 -4.112 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.763 -0.230 -3.320 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.245 1.164 -5.175 1.00 0.00 C ATOM 0 H THR A 32 -6.986 1.007 -5.032 1.00 0.00 H new ATOM 0 HA THR A 32 -6.230 0.270 -2.468 1.00 0.00 H new ATOM 0 HB THR A 32 -5.361 -0.556 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.528 -1.135 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.504 0.611 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.038 1.509 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.769 2.023 -4.701 1.00 0.00 H new ATOM 505 N ILE A 33 -5.575 2.322 -1.269 1.00 0.00 N ATOM 506 CA ILE A 33 -5.039 3.432 -0.477 1.00 0.00 C ATOM 507 C ILE A 33 -4.196 2.917 0.676 1.00 0.00 C ATOM 508 O ILE A 33 -4.685 2.202 1.550 1.00 0.00 O ATOM 509 CB ILE A 33 -6.133 4.342 0.126 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.408 4.332 -0.716 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.615 5.761 0.281 1.00 0.00 C ATOM 512 CD1 ILE A 33 -7.213 4.868 -2.119 1.00 0.00 C ATOM 0 H ILE A 33 -6.180 1.687 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.443 4.016 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.384 3.945 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.786 3.311 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.171 4.926 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.397 6.389 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.749 5.762 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.327 6.152 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.160 4.830 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.865 5.900 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.474 4.260 -2.641 1.00 0.00 H new ATOM 524 N ILE A 34 -2.936 3.318 0.691 1.00 0.00 N ATOM 525 CA ILE A 34 -2.028 2.938 1.753 1.00 0.00 C ATOM 526 C ILE A 34 -1.760 4.160 2.621 1.00 0.00 C ATOM 527 O ILE A 34 -1.877 5.284 2.145 1.00 0.00 O ATOM 528 CB ILE A 34 -0.705 2.365 1.190 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.064 1.413 2.201 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.263 3.480 0.800 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.495 -0.030 2.027 1.00 0.00 C ATOM 0 H ILE A 34 -2.519 3.911 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.486 2.150 2.351 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.938 1.803 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.020 1.474 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.318 1.741 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.182 3.044 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.195 4.108 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.494 4.085 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.003 -0.650 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.576 -0.104 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.217 -0.375 1.031 1.00 0.00 H new ATOM 543 N LYS A 35 -1.424 3.963 3.885 1.00 0.00 N ATOM 544 CA LYS A 35 -1.173 5.096 4.757 1.00 0.00 C ATOM 545 C LYS A 35 0.274 5.531 4.668 1.00 0.00 C ATOM 546 O LYS A 35 1.123 4.797 4.163 1.00 0.00 O ATOM 547 CB LYS A 35 -1.517 4.740 6.200 1.00 0.00 C ATOM 548 CG LYS A 35 -0.719 3.567 6.735 1.00 0.00 C ATOM 549 CD LYS A 35 -1.464 2.255 6.561 1.00 0.00 C ATOM 550 CE LYS A 35 -1.459 1.430 7.839 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.460 0.328 7.788 1.00 0.00 N ATOM 0 H LYS A 35 -1.320 3.048 4.323 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.806 5.921 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.341 5.609 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.580 4.508 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.239 3.513 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.503 3.725 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.493 2.458 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.006 1.681 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.241 2.078 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.452 1.012 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.430 -0.156 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.730 -0.351 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.479 0.720 7.572 1.00 0.00 H new ATOM 565 N LEU A 36 0.557 6.726 5.167 1.00 0.00 N ATOM 566 CA LEU A 36 1.916 7.238 5.134 1.00 0.00 C ATOM 567 C LEU A 36 2.837 6.361 5.977 1.00 0.00 C ATOM 568 O LEU A 36 4.006 6.172 5.652 1.00 0.00 O ATOM 569 CB LEU A 36 1.955 8.672 5.649 1.00 0.00 C ATOM 570 CG LEU A 36 2.481 9.699 4.648 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.570 10.906 4.615 1.00 0.00 C ATOM 572 CD2 LEU A 36 3.900 10.109 5.003 1.00 0.00 C ATOM 0 H LEU A 36 -0.127 7.351 5.594 1.00 0.00 H new ATOM 0 HA LEU A 36 2.263 7.223 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.949 8.962 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.578 8.705 6.543 1.00 0.00 H new ATOM 0 HG LEU A 36 2.495 9.247 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.954 11.632 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.568 10.597 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.531 11.360 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.259 10.841 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.913 10.548 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.548 9.232 4.984 1.00 0.00 H new ATOM 584 N GLU A 37 2.296 5.829 7.069 1.00 0.00 N ATOM 585 CA GLU A 37 3.066 4.976 7.968 1.00 0.00 C ATOM 586 C GLU A 37 3.642 3.770 7.232 1.00 0.00 C ATOM 587 O GLU A 37 4.603 3.153 7.693 1.00 0.00 O ATOM 588 CB GLU A 37 2.192 4.503 9.133 1.00 0.00 C ATOM 589 CG GLU A 37 1.601 5.640 9.951 1.00 0.00 C ATOM 590 CD GLU A 37 0.211 6.029 9.487 1.00 0.00 C ATOM 591 OE1 GLU A 37 -0.682 5.157 9.492 1.00 0.00 O ATOM 592 OE2 GLU A 37 0.016 7.206 9.119 1.00 0.00 O ATOM 0 H GLU A 37 1.327 5.974 7.353 1.00 0.00 H new ATOM 0 HA GLU A 37 3.895 5.568 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.381 3.888 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.787 3.867 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.561 5.346 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.258 6.508 9.888 1.00 0.00 H new ATOM 599 N ASP A 38 3.050 3.433 6.089 1.00 0.00 N ATOM 600 CA ASP A 38 3.510 2.295 5.301 1.00 0.00 C ATOM 601 C ASP A 38 4.235 2.744 4.030 1.00 0.00 C ATOM 602 O ASP A 38 4.485 1.935 3.136 1.00 0.00 O ATOM 603 CB ASP A 38 2.325 1.399 4.933 1.00 0.00 C ATOM 604 CG ASP A 38 2.323 0.095 5.707 1.00 0.00 C ATOM 605 OD1 ASP A 38 2.607 0.126 6.924 1.00 0.00 O ATOM 606 OD2 ASP A 38 2.036 -0.958 5.099 1.00 0.00 O ATOM 0 H ASP A 38 2.254 3.930 5.690 1.00 0.00 H new ATOM 0 HA ASP A 38 4.218 1.734 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.395 1.934 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.354 1.184 3.865 1.00 0.00 H new ATOM 611 N TRP A 39 4.571 4.030 3.947 1.00 0.00 N ATOM 612 CA TRP A 39 5.263 4.555 2.775 1.00 0.00 C ATOM 613 C TRP A 39 6.767 4.671 3.028 1.00 0.00 C ATOM 614 O TRP A 39 7.197 4.946 4.148 1.00 0.00 O ATOM 615 CB TRP A 39 4.668 5.916 2.375 1.00 0.00 C ATOM 616 CG TRP A 39 5.689 6.974 2.072 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.286 7.224 0.870 1.00 0.00 C ATOM 618 CD2 TRP A 39 6.229 7.926 2.995 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.160 8.279 0.990 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.144 8.725 2.285 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.028 8.182 4.353 1.00 0.00 C ATOM 622 CZ2 TRP A 39 7.852 9.760 2.890 1.00 0.00 C ATOM 623 CZ3 TRP A 39 6.730 9.210 4.951 1.00 0.00 C ATOM 624 CH2 TRP A 39 7.632 9.988 4.220 1.00 0.00 C ATOM 0 H TRP A 39 4.377 4.721 4.671 1.00 0.00 H new ATOM 0 HA TRP A 39 5.121 3.856 1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.034 5.778 1.499 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.025 6.269 3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.099 6.674 -0.041 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.728 8.667 0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.334 7.585 4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.551 10.362 2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.580 9.416 6.000 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.166 10.785 4.716 1.00 0.00 H new ATOM 635 N PRO A 40 7.586 4.464 1.980 1.00 0.00 N ATOM 636 CA PRO A 40 9.047 4.548 2.087 1.00 0.00 C ATOM 637 C PRO A 40 9.534 5.974 2.346 1.00 0.00 C ATOM 638 O PRO A 40 9.234 6.886 1.577 1.00 0.00 O ATOM 639 CB PRO A 40 9.533 4.068 0.717 1.00 0.00 C ATOM 640 CG PRO A 40 8.396 4.347 -0.205 1.00 0.00 C ATOM 641 CD PRO A 40 7.152 4.133 0.609 1.00 0.00 C ATOM 0 HA PRO A 40 9.424 3.959 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.433 4.599 0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.779 3.006 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.443 5.367 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.419 3.681 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.338 4.778 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.795 3.106 0.536 1.00 0.00 H new ATOM 649 N PRO A 41 10.298 6.189 3.436 1.00 0.00 N ATOM 650 CA PRO A 41 10.822 7.515 3.782 1.00 0.00 C ATOM 651 C PRO A 41 11.810 8.051 2.746 1.00 0.00 C ATOM 652 O PRO A 41 12.189 9.221 2.790 1.00 0.00 O ATOM 653 CB PRO A 41 11.537 7.292 5.122 1.00 0.00 C ATOM 654 CG PRO A 41 11.036 5.983 5.628 1.00 0.00 C ATOM 655 CD PRO A 41 10.707 5.168 4.412 1.00 0.00 C ATOM 0 HA PRO A 41 10.023 8.255 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.619 7.274 4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.314 8.095 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.790 5.486 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.156 6.119 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.567 4.597 4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.908 4.453 4.608 1.00 0.00 H new ATOM 663 N ASN A 42 12.230 7.194 1.816 1.00 0.00 N ATOM 664 CA ASN A 42 13.180 7.590 0.779 1.00 0.00 C ATOM 665 C ASN A 42 12.784 8.917 0.134 1.00 0.00 C ATOM 666 O ASN A 42 13.640 9.748 -0.173 1.00 0.00 O ATOM 667 CB ASN A 42 13.272 6.501 -0.292 1.00 0.00 C ATOM 668 CG ASN A 42 14.542 6.606 -1.114 1.00 0.00 C ATOM 669 OD1 ASN A 42 14.869 7.672 -1.638 1.00 0.00 O ATOM 670 ND2 ASN A 42 15.267 5.500 -1.229 1.00 0.00 N ATOM 0 H ASN A 42 11.927 6.222 1.760 1.00 0.00 H new ATOM 0 HA ASN A 42 14.153 7.721 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.231 5.522 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.408 6.571 -0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.133 5.511 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.958 4.639 -0.778 1.00 0.00 H new ATOM 677 N TRP A 43 11.485 9.107 -0.072 1.00 0.00 N ATOM 678 CA TRP A 43 10.975 10.330 -0.681 1.00 0.00 C ATOM 679 C TRP A 43 9.677 10.772 -0.014 1.00 0.00 C ATOM 680 O TRP A 43 8.810 9.946 0.262 1.00 0.00 O ATOM 681 CB TRP A 43 10.727 10.117 -2.175 1.00 0.00 C ATOM 682 CG TRP A 43 9.582 9.192 -2.459 1.00 0.00 C ATOM 683 CD1 TRP A 43 8.250 9.456 -2.303 1.00 0.00 C ATOM 684 CD2 TRP A 43 9.670 7.848 -2.946 1.00 0.00 C ATOM 685 NE1 TRP A 43 7.508 8.357 -2.661 1.00 0.00 N ATOM 686 CE2 TRP A 43 8.356 7.362 -3.062 1.00 0.00 C ATOM 687 CE3 TRP A 43 10.733 7.012 -3.297 1.00 0.00 C ATOM 688 CZ2 TRP A 43 8.076 6.076 -3.513 1.00 0.00 C ATOM 689 CZ3 TRP A 43 10.453 5.734 -3.744 1.00 0.00 C ATOM 690 CH2 TRP A 43 9.133 5.280 -3.849 1.00 0.00 C ATOM 0 H TRP A 43 10.765 8.428 0.174 1.00 0.00 H new ATOM 0 HA TRP A 43 11.726 11.108 -0.543 1.00 0.00 H new ATOM 0 HB2 TRP A 43 10.532 11.081 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.631 9.716 -2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.841 10.391 -1.950 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.490 8.293 -2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 43 11.753 7.357 -3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.059 5.720 -3.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 11.265 5.076 -4.016 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.947 4.277 -4.204 1.00 0.00 H new ATOM 701 N PRO A 44 9.509 12.077 0.240 1.00 0.00 N ATOM 702 CA PRO A 44 8.290 12.599 0.858 1.00 0.00 C ATOM 703 C PRO A 44 7.094 12.457 -0.073 1.00 0.00 C ATOM 704 O PRO A 44 7.217 12.635 -1.285 1.00 0.00 O ATOM 705 CB PRO A 44 8.599 14.082 1.103 1.00 0.00 C ATOM 706 CG PRO A 44 10.072 14.227 0.900 1.00 0.00 C ATOM 707 CD PRO A 44 10.468 13.148 -0.063 1.00 0.00 C ATOM 0 HA PRO A 44 8.030 12.061 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.044 14.717 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.311 14.381 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.315 15.212 0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.607 14.123 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.390 13.480 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.498 12.825 0.091 1.00 0.00 H new ATOM 715 N ILE A 45 5.940 12.128 0.491 1.00 0.00 N ATOM 716 CA ILE A 45 4.737 11.965 -0.313 1.00 0.00 C ATOM 717 C ILE A 45 3.936 13.254 -0.386 1.00 0.00 C ATOM 718 O ILE A 45 3.755 13.936 0.623 1.00 0.00 O ATOM 719 CB ILE A 45 3.841 10.854 0.206 1.00 0.00 C ATOM 720 CG1 ILE A 45 3.510 11.063 1.679 1.00 0.00 C ATOM 721 CG2 ILE A 45 4.496 9.502 -0.019 1.00 0.00 C ATOM 722 CD1 ILE A 45 2.223 11.813 1.885 1.00 0.00 C ATOM 0 H ILE A 45 5.812 11.970 1.491 1.00 0.00 H new ATOM 0 HA ILE A 45 5.081 11.695 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 45 2.904 10.879 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.444 10.094 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.324 11.609 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.843 8.714 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.666 9.353 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.449 9.467 0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.038 11.932 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.295 12.795 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.401 11.256 1.435 1.00 0.00 H new ATOM 734 N THR A 46 3.511 13.625 -1.593 1.00 0.00 N ATOM 735 CA THR A 46 2.798 14.889 -1.763 1.00 0.00 C ATOM 736 C THR A 46 1.629 14.928 -2.776 1.00 0.00 C ATOM 737 O THR A 46 1.800 14.636 -3.960 1.00 0.00 O ATOM 738 CB THR A 46 3.835 15.946 -2.129 1.00 0.00 C ATOM 739 OG1 THR A 46 3.647 17.128 -1.371 1.00 0.00 O ATOM 740 CG2 THR A 46 3.846 16.330 -3.597 1.00 0.00 C ATOM 0 H THR A 46 3.643 13.084 -2.447 1.00 0.00 H new ATOM 0 HA THR A 46 2.295 15.068 -0.813 1.00 0.00 H new ATOM 0 HB THR A 46 4.792 15.477 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.325 17.789 -1.623 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.612 17.086 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.062 15.449 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.871 16.731 -3.876 1.00 0.00 H new ATOM 748 N ASP A 47 0.486 15.426 -2.302 1.00 0.00 N ATOM 749 CA ASP A 47 -0.705 15.685 -3.147 1.00 0.00 C ATOM 750 C ASP A 47 -1.411 16.972 -2.672 1.00 0.00 C ATOM 751 O ASP A 47 -1.852 17.080 -1.509 1.00 0.00 O ATOM 752 CB ASP A 47 -1.720 14.533 -3.166 1.00 0.00 C ATOM 753 CG ASP A 47 -2.064 14.091 -4.575 1.00 0.00 C ATOM 754 OD1 ASP A 47 -1.128 13.816 -5.356 1.00 0.00 O ATOM 755 OD2 ASP A 47 -3.268 14.019 -4.897 1.00 0.00 O ATOM 0 H ASP A 47 0.349 15.665 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.333 15.792 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.316 13.687 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.630 14.845 -2.653 1.00 0.00 H new ATOM 760 N THR A 48 -1.519 17.963 -3.538 1.00 0.00 N ATOM 761 CA THR A 48 -2.178 19.198 -3.143 1.00 0.00 C ATOM 762 C THR A 48 -3.664 18.924 -2.972 1.00 0.00 C ATOM 763 O THR A 48 -4.422 18.965 -3.942 1.00 0.00 O ATOM 764 CB THR A 48 -1.948 20.302 -4.176 1.00 0.00 C ATOM 765 OG1 THR A 48 -2.779 20.120 -5.308 1.00 0.00 O ATOM 766 CG2 THR A 48 -0.518 20.378 -4.663 1.00 0.00 C ATOM 0 H THR A 48 -1.169 17.942 -4.496 1.00 0.00 H new ATOM 0 HA THR A 48 -1.756 19.545 -2.200 1.00 0.00 H new ATOM 0 HB THR A 48 -2.190 21.230 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.719 20.163 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.425 21.182 -5.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.144 20.575 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.241 19.432 -5.128 1.00 0.00 H new ATOM 774 N LEU A 49 -4.085 18.617 -1.744 1.00 0.00 N ATOM 775 CA LEU A 49 -5.488 18.312 -1.509 1.00 0.00 C ATOM 776 C LEU A 49 -6.303 19.600 -1.411 1.00 0.00 C ATOM 777 O LEU A 49 -5.746 20.697 -1.480 1.00 0.00 O ATOM 778 CB LEU A 49 -5.626 17.442 -0.260 1.00 0.00 C ATOM 779 CG LEU A 49 -6.977 16.736 -0.085 1.00 0.00 C ATOM 780 CD1 LEU A 49 -7.420 16.088 -1.388 1.00 0.00 C ATOM 781 CD2 LEU A 49 -6.892 15.698 1.026 1.00 0.00 C ATOM 0 H LEU A 49 -3.488 18.574 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.886 17.746 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.842 16.685 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.447 18.066 0.616 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.721 17.483 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.380 15.593 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.520 16.852 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.678 15.353 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.858 15.205 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.134 14.957 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.623 16.188 1.962 1.00 0.00 H new ATOM 793 N THR A 50 -7.624 19.475 -1.296 1.00 0.00 N ATOM 794 CA THR A 50 -8.489 20.650 -1.243 1.00 0.00 C ATOM 795 C THR A 50 -9.167 20.834 0.114 1.00 0.00 C ATOM 796 O THR A 50 -10.003 20.030 0.524 1.00 0.00 O ATOM 797 CB THR A 50 -9.552 20.564 -2.341 1.00 0.00 C ATOM 798 OG1 THR A 50 -9.944 19.220 -2.554 1.00 0.00 O ATOM 799 CG2 THR A 50 -9.088 21.123 -3.669 1.00 0.00 C ATOM 0 H THR A 50 -8.114 18.582 -1.238 1.00 0.00 H new ATOM 0 HA THR A 50 -7.849 21.518 -1.401 1.00 0.00 H new ATOM 0 HB THR A 50 -10.386 21.167 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.625 19.186 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.889 21.031 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.825 22.174 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.216 20.567 -4.013 1.00 0.00 H new ATOM 807 N ASN A 51 -8.817 21.929 0.779 1.00 0.00 N ATOM 808 CA ASN A 51 -9.396 22.286 2.068 1.00 0.00 C ATOM 809 C ASN A 51 -9.839 23.739 2.017 1.00 0.00 C ATOM 810 O ASN A 51 -9.115 24.628 2.460 1.00 0.00 O ATOM 811 CB ASN A 51 -8.373 22.101 3.185 1.00 0.00 C ATOM 812 CG ASN A 51 -9.023 21.900 4.539 1.00 0.00 C ATOM 813 OD1 ASN A 51 -9.388 20.782 4.906 1.00 0.00 O ATOM 814 ND2 ASN A 51 -9.175 22.984 5.290 1.00 0.00 N ATOM 0 H ASN A 51 -8.123 22.595 0.439 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.249 21.638 2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.742 21.242 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.721 22.974 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.609 22.910 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.858 23.891 4.947 1.00 0.00 H new ATOM 821 N LEU A 52 -11.006 23.985 1.442 1.00 0.00 N ATOM 822 CA LEU A 52 -11.493 25.348 1.296 1.00 0.00 C ATOM 823 C LEU A 52 -12.444 25.766 2.410 1.00 0.00 C ATOM 824 O LEU A 52 -13.444 25.105 2.687 1.00 0.00 O ATOM 825 CB LEU A 52 -12.164 25.515 -0.067 1.00 0.00 C ATOM 826 CG LEU A 52 -11.230 25.888 -1.230 1.00 0.00 C ATOM 827 CD1 LEU A 52 -9.766 25.681 -0.863 1.00 0.00 C ATOM 828 CD2 LEU A 52 -11.573 25.074 -2.462 1.00 0.00 C ATOM 0 H LEU A 52 -11.628 23.267 1.072 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.627 26.006 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.672 24.584 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.932 26.284 0.019 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.377 26.947 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.136 25.955 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.514 26.306 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.599 24.634 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.904 25.349 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.459 24.013 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.603 25.274 -2.755 1.00 0.00 H new ATOM 840 N ARG A 53 -12.113 26.897 3.023 1.00 0.00 N ATOM 841 CA ARG A 53 -12.902 27.476 4.098 1.00 0.00 C ATOM 842 C ARG A 53 -13.906 28.486 3.547 1.00 0.00 C ATOM 843 O ARG A 53 -14.453 29.294 4.293 1.00 0.00 O ATOM 844 CB ARG A 53 -11.996 28.145 5.135 1.00 0.00 C ATOM 845 CG ARG A 53 -12.040 27.475 6.496 1.00 0.00 C ATOM 846 CD ARG A 53 -10.856 27.879 7.360 1.00 0.00 C ATOM 847 NE ARG A 53 -9.930 26.770 7.569 1.00 0.00 N ATOM 848 CZ ARG A 53 -8.708 26.909 8.079 1.00 0.00 C ATOM 849 NH1 ARG A 53 -8.261 28.108 8.433 1.00 0.00 N ATOM 850 NH2 ARG A 53 -7.930 25.846 8.233 1.00 0.00 N ATOM 0 H ARG A 53 -11.283 27.440 2.784 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.451 26.670 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.970 28.138 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.289 29.189 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.968 27.741 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.045 26.392 6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.329 28.708 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.216 28.238 8.324 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.237 25.833 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.855 28.929 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.324 28.208 8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.268 24.923 7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.994 25.952 8.624 1.00 0.00 H new ATOM 864 N GLY A 54 -14.088 28.492 2.227 1.00 0.00 N ATOM 865 CA GLY A 54 -14.984 29.458 1.612 1.00 0.00 C ATOM 866 C GLY A 54 -14.323 30.808 1.553 1.00 0.00 C ATOM 867 O GLY A 54 -13.999 31.317 0.480 1.00 0.00 O ATOM 0 H GLY A 54 -13.634 27.850 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.251 29.130 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.910 29.522 2.183 1.00 0.00 H new ATOM 871 N ILE A 55 -14.063 31.350 2.729 1.00 0.00 N ATOM 872 CA ILE A 55 -13.361 32.612 2.854 1.00 0.00 C ATOM 873 C ILE A 55 -11.914 32.315 3.213 1.00 0.00 C ATOM 874 O ILE A 55 -11.037 33.174 3.102 1.00 0.00 O ATOM 875 CB ILE A 55 -13.988 33.544 3.916 1.00 0.00 C ATOM 876 CG1 ILE A 55 -14.714 32.736 4.999 1.00 0.00 C ATOM 877 CG2 ILE A 55 -14.939 34.526 3.249 1.00 0.00 C ATOM 878 CD1 ILE A 55 -15.543 33.583 5.939 1.00 0.00 C ATOM 0 H ILE A 55 -14.331 30.930 3.619 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.431 33.139 1.902 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.188 34.103 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.362 32.002 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.978 32.180 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -15.376 35.179 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.391 35.127 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.732 33.977 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.026 32.942 6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.898 34.299 6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -16.303 34.119 5.371 1.00 0.00 H new ATOM 890 N GLY A 56 -11.678 31.065 3.619 1.00 0.00 N ATOM 891 CA GLY A 56 -10.341 30.627 3.967 1.00 0.00 C ATOM 892 C GLY A 56 -9.845 29.538 3.028 1.00 0.00 C ATOM 893 O GLY A 56 -9.362 28.496 3.470 1.00 0.00 O ATOM 0 H GLY A 56 -12.397 30.348 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.659 31.476 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.335 30.255 4.992 1.00 0.00 H new ATOM 897 N GLN A 57 -9.980 29.778 1.726 1.00 0.00 N ATOM 898 CA GLN A 57 -9.555 28.812 0.713 1.00 0.00 C ATOM 899 C GLN A 57 -8.161 28.253 1.008 1.00 0.00 C ATOM 900 O GLN A 57 -7.150 28.861 0.656 1.00 0.00 O ATOM 901 CB GLN A 57 -9.566 29.464 -0.671 1.00 0.00 C ATOM 902 CG GLN A 57 -8.785 30.766 -0.735 1.00 0.00 C ATOM 903 CD GLN A 57 -7.639 30.713 -1.727 1.00 0.00 C ATOM 904 OE1 GLN A 57 -7.835 30.407 -2.903 1.00 0.00 O ATOM 905 NE2 GLN A 57 -6.434 31.011 -1.256 1.00 0.00 N ATOM 0 H GLN A 57 -10.381 30.635 1.346 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.261 27.982 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.151 28.765 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.598 29.654 -0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.460 31.577 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.393 30.999 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.318 31.259 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.625 30.992 -1.877 1.00 0.00 H new ATOM 914 N SER A 58 -8.122 27.091 1.653 1.00 0.00 N ATOM 915 CA SER A 58 -6.863 26.433 1.994 1.00 0.00 C ATOM 916 C SER A 58 -6.727 25.107 1.244 1.00 0.00 C ATOM 917 O SER A 58 -7.634 24.701 0.518 1.00 0.00 O ATOM 918 CB SER A 58 -6.780 26.195 3.503 1.00 0.00 C ATOM 919 OG SER A 58 -5.957 27.163 4.127 1.00 0.00 O ATOM 0 H SER A 58 -8.954 26.582 1.952 1.00 0.00 H new ATOM 0 HA SER A 58 -6.043 27.086 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.780 26.230 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.384 25.198 3.696 1.00 0.00 H new ATOM 0 HG SER A 58 -5.922 26.990 5.091 1.00 0.00 H new ATOM 925 N ASN A 59 -5.594 24.434 1.421 1.00 0.00 N ATOM 926 CA ASN A 59 -5.355 23.155 0.753 1.00 0.00 C ATOM 927 C ASN A 59 -5.097 22.043 1.771 1.00 0.00 C ATOM 928 O ASN A 59 -4.380 22.245 2.751 1.00 0.00 O ATOM 929 CB ASN A 59 -4.166 23.273 -0.201 1.00 0.00 C ATOM 930 CG ASN A 59 -4.410 24.283 -1.306 1.00 0.00 C ATOM 931 OD1 ASN A 59 -4.445 25.489 -1.061 1.00 0.00 O ATOM 932 ND2 ASN A 59 -4.581 23.794 -2.528 1.00 0.00 N ATOM 0 H ASN A 59 -4.829 24.749 2.018 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.249 22.899 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.279 23.562 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.960 22.298 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.750 24.426 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.544 22.787 -2.684 1.00 0.00 H new ATOM 939 N ASN A 60 -5.682 20.869 1.531 1.00 0.00 N ATOM 940 CA ASN A 60 -5.506 19.735 2.432 1.00 0.00 C ATOM 941 C ASN A 60 -4.110 19.108 2.256 1.00 0.00 C ATOM 942 O ASN A 60 -3.392 19.420 1.298 1.00 0.00 O ATOM 943 CB ASN A 60 -6.622 18.704 2.227 1.00 0.00 C ATOM 944 CG ASN A 60 -7.765 18.859 3.216 1.00 0.00 C ATOM 945 OD1 ASN A 60 -7.441 19.119 4.479 1.00 0.00 O flip ATOM 946 ND2 ASN A 60 -8.933 18.749 2.844 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.278 20.681 0.725 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.574 20.094 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.012 18.796 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.204 17.702 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.140 18.549 1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.694 18.858 3.514 1.00 0.00 H new ATOM 953 N PRO A 61 -3.694 18.260 3.218 1.00 0.00 N ATOM 954 CA PRO A 61 -2.355 17.637 3.242 1.00 0.00 C ATOM 955 C PRO A 61 -1.998 16.676 2.107 1.00 0.00 C ATOM 956 O PRO A 61 -2.418 15.518 2.079 1.00 0.00 O ATOM 957 CB PRO A 61 -2.324 16.899 4.584 1.00 0.00 C ATOM 958 CG PRO A 61 -3.755 16.693 4.941 1.00 0.00 C ATOM 959 CD PRO A 61 -4.483 17.889 4.406 1.00 0.00 C ATOM 0 HA PRO A 61 -1.611 18.422 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.797 15.949 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.807 17.484 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.139 15.772 4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.881 16.609 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.514 17.650 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.518 18.699 5.135 1.00 0.00 H new ATOM 967 N LYS A 62 -1.189 17.195 1.192 1.00 0.00 N ATOM 968 CA LYS A 62 -0.683 16.492 0.043 1.00 0.00 C ATOM 969 C LYS A 62 -0.223 15.053 0.311 1.00 0.00 C ATOM 970 O LYS A 62 0.682 14.822 1.074 1.00 0.00 O ATOM 971 CB LYS A 62 0.525 17.316 -0.502 1.00 0.00 C ATOM 972 CG LYS A 62 1.137 18.307 0.483 1.00 0.00 C ATOM 973 CD LYS A 62 1.534 17.634 1.789 1.00 0.00 C ATOM 974 CE LYS A 62 2.659 18.384 2.484 1.00 0.00 C ATOM 975 NZ LYS A 62 2.845 17.929 3.889 1.00 0.00 N ATOM 0 H LYS A 62 -0.860 18.159 1.242 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.505 16.402 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.302 16.622 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.200 17.863 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.014 18.772 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.423 19.104 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.669 17.581 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.847 16.609 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.587 18.241 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.443 19.452 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.621 18.465 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.968 18.089 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.076 16.915 3.898 1.00 0.00 H new ATOM 989 N GLN A 63 -0.807 14.111 -0.439 1.00 0.00 N ATOM 990 CA GLN A 63 -0.451 12.683 -0.379 1.00 0.00 C ATOM 991 C GLN A 63 0.248 12.233 -1.679 1.00 0.00 C ATOM 992 O GLN A 63 0.048 12.821 -2.733 1.00 0.00 O ATOM 993 CB GLN A 63 -1.734 11.863 -0.117 1.00 0.00 C ATOM 994 CG GLN A 63 -2.351 11.196 -1.345 1.00 0.00 C ATOM 995 CD GLN A 63 -3.489 12.005 -1.938 1.00 0.00 C ATOM 996 OE1 GLN A 63 -3.512 12.278 -3.138 1.00 0.00 O ATOM 997 NE2 GLN A 63 -4.443 12.387 -1.099 1.00 0.00 N ATOM 0 H GLN A 63 -1.546 14.317 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 63 0.255 12.515 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.507 11.091 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.479 12.520 0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.580 11.052 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.718 10.207 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.383 12.138 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.236 12.929 -1.441 1.00 0.00 H new ATOM 1006 N SER A 64 1.067 11.187 -1.617 1.00 0.00 N ATOM 1007 CA SER A 64 1.753 10.716 -2.830 1.00 0.00 C ATOM 1008 C SER A 64 1.105 9.454 -3.391 1.00 0.00 C ATOM 1009 O SER A 64 -0.042 9.135 -3.075 1.00 0.00 O ATOM 1010 CB SER A 64 3.229 10.448 -2.583 1.00 0.00 C ATOM 1011 OG SER A 64 3.909 10.174 -3.796 1.00 0.00 O ATOM 0 H SER A 64 1.272 10.658 -0.769 1.00 0.00 H new ATOM 0 HA SER A 64 1.659 11.521 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.682 11.312 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.339 9.604 -1.902 1.00 0.00 H new ATOM 0 HG SER A 64 4.856 10.007 -3.609 1.00 0.00 H new ATOM 1017 N SER A 65 1.855 8.745 -4.233 1.00 0.00 N ATOM 1018 CA SER A 65 1.370 7.522 -4.850 1.00 0.00 C ATOM 1019 C SER A 65 2.198 6.309 -4.426 1.00 0.00 C ATOM 1020 O SER A 65 1.645 5.238 -4.198 1.00 0.00 O ATOM 1021 CB SER A 65 1.392 7.656 -6.375 1.00 0.00 C ATOM 1022 OG SER A 65 2.720 7.736 -6.861 1.00 0.00 O ATOM 0 H SER A 65 2.805 9.002 -4.501 1.00 0.00 H new ATOM 0 HA SER A 65 0.346 7.366 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.888 6.801 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.838 8.546 -6.673 1.00 0.00 H new ATOM 0 HG SER A 65 2.707 7.819 -7.837 1.00 0.00 H new ATOM 1028 N LYS A 66 3.527 6.492 -4.339 1.00 0.00 N ATOM 1029 CA LYS A 66 4.464 5.415 -3.960 1.00 0.00 C ATOM 1030 C LYS A 66 3.867 4.029 -4.218 1.00 0.00 C ATOM 1031 O LYS A 66 3.041 3.545 -3.451 1.00 0.00 O ATOM 1032 CB LYS A 66 4.893 5.561 -2.495 1.00 0.00 C ATOM 1033 CG LYS A 66 3.815 5.203 -1.485 1.00 0.00 C ATOM 1034 CD LYS A 66 4.174 3.948 -0.699 1.00 0.00 C ATOM 1035 CE LYS A 66 3.136 2.853 -0.884 1.00 0.00 C ATOM 1036 NZ LYS A 66 2.893 2.102 0.380 1.00 0.00 N ATOM 0 H LYS A 66 3.982 7.385 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 66 5.348 5.511 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.763 4.928 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.208 6.590 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.671 6.035 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.868 5.050 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.149 3.583 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.259 4.193 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.201 3.293 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.470 2.163 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.056 1.495 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.721 1.512 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.732 2.774 1.157 1.00 0.00 H new ATOM 1050 N TYR A 67 4.268 3.405 -5.320 1.00 0.00 N ATOM 1051 CA TYR A 67 3.732 2.104 -5.673 1.00 0.00 C ATOM 1052 C TYR A 67 4.403 0.970 -4.915 1.00 0.00 C ATOM 1053 O TYR A 67 5.627 0.848 -4.887 1.00 0.00 O ATOM 1054 CB TYR A 67 3.802 1.906 -7.195 1.00 0.00 C ATOM 1055 CG TYR A 67 4.985 1.111 -7.702 1.00 0.00 C ATOM 1056 CD1 TYR A 67 6.287 1.457 -7.363 1.00 0.00 C ATOM 1057 CD2 TYR A 67 4.789 0.020 -8.535 1.00 0.00 C ATOM 1058 CE1 TYR A 67 7.360 0.731 -7.842 1.00 0.00 C ATOM 1059 CE2 TYR A 67 5.853 -0.709 -9.014 1.00 0.00 C ATOM 1060 CZ TYR A 67 7.139 -0.352 -8.667 1.00 0.00 C ATOM 1061 OH TYR A 67 8.205 -1.078 -9.144 1.00 0.00 O ATOM 0 H TYR A 67 4.955 3.777 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 67 2.686 2.077 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.888 1.409 -7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.817 2.887 -7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.462 2.304 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.784 -0.262 -8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.368 1.010 -7.572 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.682 -1.558 -9.659 1.00 0.00 H new ATOM 0 HH TYR A 67 7.877 -1.808 -9.710 1.00 0.00 H new ATOM 1071 N LEU A 68 3.570 0.142 -4.299 1.00 0.00 N ATOM 1072 CA LEU A 68 4.040 -0.995 -3.532 1.00 0.00 C ATOM 1073 C LEU A 68 3.939 -2.263 -4.359 1.00 0.00 C ATOM 1074 O LEU A 68 2.997 -2.437 -5.139 1.00 0.00 O ATOM 1075 CB LEU A 68 3.225 -1.144 -2.245 1.00 0.00 C ATOM 1076 CG LEU A 68 4.055 -1.264 -0.969 1.00 0.00 C ATOM 1077 CD1 LEU A 68 5.081 -0.146 -0.904 1.00 0.00 C ATOM 1078 CD2 LEU A 68 3.154 -1.241 0.256 1.00 0.00 C ATOM 0 H LEU A 68 2.555 0.242 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 68 5.084 -0.827 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.562 -0.284 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.592 -2.027 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 68 4.584 -2.217 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.667 -0.242 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.743 -0.209 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.570 0.817 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.762 -1.328 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.599 -0.303 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.455 -2.076 0.209 1.00 0.00 H new ATOM 1090 N THR A 69 4.912 -3.147 -4.189 1.00 0.00 N ATOM 1091 CA THR A 69 4.930 -4.396 -4.923 1.00 0.00 C ATOM 1092 C THR A 69 4.726 -5.582 -3.994 1.00 0.00 C ATOM 1093 O THR A 69 5.657 -6.046 -3.337 1.00 0.00 O ATOM 1094 CB THR A 69 6.239 -4.534 -5.695 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.348 -4.224 -4.869 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.299 -3.635 -6.909 1.00 0.00 C ATOM 0 H THR A 69 5.696 -3.019 -3.549 1.00 0.00 H new ATOM 0 HA THR A 69 4.104 -4.386 -5.634 1.00 0.00 H new ATOM 0 HB THR A 69 6.280 -5.573 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.176 -4.321 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.252 -3.775 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.484 -3.885 -7.588 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.204 -2.595 -6.597 1.00 0.00 H new ATOM 1104 N TRP A 70 3.495 -6.072 -3.963 1.00 0.00 N ATOM 1105 CA TRP A 70 3.122 -7.211 -3.146 1.00 0.00 C ATOM 1106 C TRP A 70 3.078 -8.456 -4.016 1.00 0.00 C ATOM 1107 O TRP A 70 2.427 -8.473 -5.058 1.00 0.00 O ATOM 1108 CB TRP A 70 1.752 -6.969 -2.503 1.00 0.00 C ATOM 1109 CG TRP A 70 1.591 -7.592 -1.147 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.567 -8.148 -0.370 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.370 -7.720 -0.408 1.00 0.00 C ATOM 1112 NE1 TRP A 70 2.026 -8.615 0.803 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.681 -8.364 0.804 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -0.955 -7.351 -0.654 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.285 -8.648 1.767 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -1.913 -7.634 0.301 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.573 -8.277 1.499 1.00 0.00 C ATOM 0 H TRP A 70 2.724 -5.686 -4.508 1.00 0.00 H new ATOM 0 HA TRP A 70 3.858 -7.348 -2.354 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.587 -5.895 -2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.979 -7.360 -3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.611 -8.211 -0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.543 -9.075 1.552 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.226 -6.854 -1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.026 -9.143 2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.941 -7.355 0.121 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.345 -8.484 2.226 1.00 0.00 H new ATOM 1128 N ARG A 71 3.783 -9.488 -3.600 1.00 0.00 N ATOM 1129 CA ARG A 71 3.833 -10.722 -4.357 1.00 0.00 C ATOM 1130 C ARG A 71 3.908 -11.920 -3.422 1.00 0.00 C ATOM 1131 O ARG A 71 4.567 -11.870 -2.386 1.00 0.00 O ATOM 1132 CB ARG A 71 5.043 -10.707 -5.291 1.00 0.00 C ATOM 1133 CG ARG A 71 4.805 -9.950 -6.587 1.00 0.00 C ATOM 1134 CD ARG A 71 6.042 -9.176 -7.015 1.00 0.00 C ATOM 1135 NE ARG A 71 6.515 -8.276 -5.965 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.765 -7.825 -5.880 1.00 0.00 C ATOM 1137 NH1 ARG A 71 8.671 -8.178 -6.784 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.111 -7.014 -4.889 1.00 0.00 N ATOM 0 H ARG A 71 4.331 -9.497 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 71 2.923 -10.806 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.888 -10.259 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.322 -11.734 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.523 -10.651 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.970 -9.261 -6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.835 -9.876 -7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.817 -8.600 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 71 5.848 -7.975 -5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.412 -8.799 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.626 -7.828 -6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.420 -6.736 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.068 -6.668 -4.824 1.00 0.00 H new ATOM 1152 N ASP A 72 3.241 -13.001 -3.798 1.00 0.00 N ATOM 1153 CA ASP A 72 3.251 -14.206 -2.993 1.00 0.00 C ATOM 1154 C ASP A 72 4.548 -14.959 -3.226 1.00 0.00 C ATOM 1155 O ASP A 72 5.234 -14.715 -4.220 1.00 0.00 O ATOM 1156 CB ASP A 72 2.055 -15.095 -3.339 1.00 0.00 C ATOM 1157 CG ASP A 72 1.782 -16.140 -2.275 1.00 0.00 C ATOM 1158 OD1 ASP A 72 2.517 -16.167 -1.265 1.00 0.00 O ATOM 1159 OD2 ASP A 72 0.834 -16.935 -2.453 1.00 0.00 O ATOM 0 H ASP A 72 2.689 -13.065 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 72 3.177 -13.930 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.169 -14.473 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.239 -15.591 -4.292 1.00 0.00 H new ATOM 1164 N LYS A 73 4.876 -15.866 -2.304 1.00 0.00 N ATOM 1165 CA LYS A 73 6.099 -16.668 -2.390 1.00 0.00 C ATOM 1166 C LYS A 73 6.406 -17.089 -3.822 1.00 0.00 C ATOM 1167 O LYS A 73 7.568 -17.250 -4.196 1.00 0.00 O ATOM 1168 CB LYS A 73 5.990 -17.904 -1.495 1.00 0.00 C ATOM 1169 CG LYS A 73 4.664 -18.635 -1.618 1.00 0.00 C ATOM 1170 CD LYS A 73 4.684 -19.641 -2.757 1.00 0.00 C ATOM 1171 CE LYS A 73 4.965 -21.047 -2.252 1.00 0.00 C ATOM 1172 NZ LYS A 73 4.684 -22.079 -3.290 1.00 0.00 N ATOM 0 H LYS A 73 4.306 -16.065 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 73 6.921 -16.042 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.798 -18.592 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.134 -17.603 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.443 -19.148 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.864 -17.913 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.726 -19.624 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.445 -19.355 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.007 -21.119 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.355 -21.244 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.889 -23.023 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.683 -22.028 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.284 -21.907 -4.122 1.00 0.00 H new ATOM 1186 N GLU A 74 5.364 -17.250 -4.628 1.00 0.00 N ATOM 1187 CA GLU A 74 5.535 -17.628 -6.022 1.00 0.00 C ATOM 1188 C GLU A 74 5.847 -16.402 -6.880 1.00 0.00 C ATOM 1189 O GLU A 74 5.555 -16.380 -8.076 1.00 0.00 O ATOM 1190 CB GLU A 74 4.280 -18.334 -6.543 1.00 0.00 C ATOM 1191 CG GLU A 74 4.577 -19.581 -7.359 1.00 0.00 C ATOM 1192 CD GLU A 74 3.896 -19.571 -8.715 1.00 0.00 C ATOM 1193 OE1 GLU A 74 4.474 -19.001 -9.664 1.00 0.00 O ATOM 1194 OE2 GLU A 74 2.787 -20.133 -8.826 1.00 0.00 O ATOM 0 H GLU A 74 4.394 -17.125 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 74 6.376 -18.318 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.649 -18.606 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.709 -17.637 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.654 -19.670 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.254 -20.460 -6.802 1.00 0.00 H new ATOM 1201 N ASN A 75 6.430 -15.378 -6.251 1.00 0.00 N ATOM 1202 CA ASN A 75 6.779 -14.134 -6.931 1.00 0.00 C ATOM 1203 C ASN A 75 5.624 -13.615 -7.784 1.00 0.00 C ATOM 1204 O ASN A 75 5.782 -13.379 -8.982 1.00 0.00 O ATOM 1205 CB ASN A 75 8.035 -14.320 -7.793 1.00 0.00 C ATOM 1206 CG ASN A 75 7.845 -15.338 -8.900 1.00 0.00 C ATOM 1207 OD1 ASN A 75 7.943 -16.544 -8.673 1.00 0.00 O ATOM 1208 ND2 ASN A 75 7.575 -14.856 -10.109 1.00 0.00 N ATOM 0 H ASN A 75 6.671 -15.390 -5.260 1.00 0.00 H new ATOM 0 HA ASN A 75 6.987 -13.390 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.314 -13.362 -8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.863 -14.633 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.440 -15.493 -10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.503 -13.849 -10.252 1.00 0.00 H new ATOM 1215 N ASN A 76 4.461 -13.430 -7.160 1.00 0.00 N ATOM 1216 CA ASN A 76 3.294 -12.924 -7.885 1.00 0.00 C ATOM 1217 C ASN A 76 2.093 -12.709 -6.964 1.00 0.00 C ATOM 1218 O ASN A 76 1.787 -13.550 -6.120 1.00 0.00 O ATOM 1219 CB ASN A 76 2.912 -13.885 -9.015 1.00 0.00 C ATOM 1220 CG ASN A 76 2.760 -15.318 -8.538 1.00 0.00 C ATOM 1221 OD1 ASN A 76 3.286 -16.257 -9.314 1.00 0.00 O flip ATOM 1222 ND2 ASN A 76 2.177 -15.576 -7.486 1.00 0.00 N flip ATOM 0 H ASN A 76 4.302 -13.619 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 76 3.571 -11.956 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.976 -13.555 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.673 -13.844 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.788 -14.822 -6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.083 -16.544 -7.179 1.00 0.00 H new ATOM 1229 N SER A 77 1.408 -11.575 -7.144 1.00 0.00 N ATOM 1230 CA SER A 77 0.231 -11.254 -6.339 1.00 0.00 C ATOM 1231 C SER A 77 -0.401 -9.929 -6.767 1.00 0.00 C ATOM 1232 O SER A 77 -1.617 -9.848 -6.943 1.00 0.00 O ATOM 1233 CB SER A 77 0.586 -11.202 -4.854 1.00 0.00 C ATOM 1234 OG SER A 77 -0.450 -11.755 -4.061 1.00 0.00 O ATOM 0 H SER A 77 1.649 -10.868 -7.838 1.00 0.00 H new ATOM 0 HA SER A 77 -0.497 -12.048 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.513 -11.749 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.764 -10.169 -4.556 1.00 0.00 H new ATOM 0 HG SER A 77 -0.287 -12.713 -3.931 1.00 0.00 H new ATOM 1240 N GLY A 78 0.417 -8.887 -6.926 1.00 0.00 N ATOM 1241 CA GLY A 78 -0.110 -7.593 -7.322 1.00 0.00 C ATOM 1242 C GLY A 78 0.777 -6.444 -6.885 1.00 0.00 C ATOM 1243 O GLY A 78 1.281 -6.435 -5.762 1.00 0.00 O ATOM 0 H GLY A 78 1.427 -8.917 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.224 -7.567 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.104 -7.463 -6.894 1.00 0.00 H new ATOM 1247 N LEU A 79 0.971 -5.473 -7.771 1.00 0.00 N ATOM 1248 CA LEU A 79 1.808 -4.320 -7.462 1.00 0.00 C ATOM 1249 C LEU A 79 1.354 -3.083 -8.232 1.00 0.00 C ATOM 1250 O LEU A 79 1.296 -3.094 -9.462 1.00 0.00 O ATOM 1251 CB LEU A 79 3.265 -4.632 -7.793 1.00 0.00 C ATOM 1252 CG LEU A 79 3.562 -4.841 -9.278 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.446 -3.723 -9.803 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.218 -6.196 -9.509 1.00 0.00 C ATOM 0 H LEU A 79 0.562 -5.461 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 79 1.713 -4.109 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.888 -3.817 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.561 -5.529 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 79 2.619 -4.822 -9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.649 -3.886 -10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.939 -2.767 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.386 -3.713 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.421 -6.325 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.153 -6.247 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.549 -6.987 -9.169 1.00 0.00 H new ATOM 1266 N ILE A 80 1.040 -2.014 -7.503 1.00 0.00 N ATOM 1267 CA ILE A 80 0.598 -0.769 -8.130 1.00 0.00 C ATOM 1268 C ILE A 80 0.784 0.429 -7.205 1.00 0.00 C ATOM 1269 O ILE A 80 1.096 0.273 -6.025 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.880 -0.834 -8.553 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.738 -1.383 -7.415 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.040 -1.684 -9.803 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.959 -0.396 -6.291 1.00 0.00 C ATOM 0 H ILE A 80 1.083 -1.984 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 80 1.222 -0.643 -9.015 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.218 0.177 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.705 -1.687 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.263 -2.278 -7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.092 -1.719 -10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.459 -1.249 -10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.685 -2.695 -9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.577 -0.856 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.998 -0.110 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.462 0.490 -6.678 1.00 0.00 H new ATOM 1285 N LYS A 81 0.602 1.624 -7.765 1.00 0.00 N ATOM 1286 CA LYS A 81 0.758 2.870 -7.015 1.00 0.00 C ATOM 1287 C LYS A 81 -0.545 3.314 -6.340 1.00 0.00 C ATOM 1288 O LYS A 81 -1.443 3.839 -7.000 1.00 0.00 O ATOM 1289 CB LYS A 81 1.251 3.980 -7.947 1.00 0.00 C ATOM 1290 CG LYS A 81 0.356 4.195 -9.158 1.00 0.00 C ATOM 1291 CD LYS A 81 -0.270 5.580 -9.151 1.00 0.00 C ATOM 1292 CE LYS A 81 -1.659 5.565 -9.769 1.00 0.00 C ATOM 1293 NZ LYS A 81 -2.221 6.936 -9.908 1.00 0.00 N ATOM 0 H LYS A 81 0.344 1.756 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 81 1.490 2.682 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.320 4.912 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.258 3.738 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.938 4.063 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.430 3.440 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.330 5.949 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.367 6.272 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.615 5.090 -10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.324 4.961 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.169 6.881 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.287 7.381 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.600 7.505 -10.518 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.660 3.133 -5.007 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.834 3.532 -4.243 1.00 0.00 C ATOM 1309 C PRO A 82 -1.720 4.966 -3.742 1.00 0.00 C ATOM 1310 O PRO A 82 -0.799 5.688 -4.118 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.833 2.549 -3.058 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.511 1.837 -3.099 1.00 0.00 C ATOM 1313 CD PRO A 82 0.340 2.540 -4.123 1.00 0.00 C ATOM 0 HA PRO A 82 -2.747 3.502 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.960 3.079 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.658 1.841 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.032 1.858 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.646 0.789 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.981 3.296 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.992 1.847 -4.654 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.652 5.372 -2.890 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.641 6.723 -2.336 1.00 0.00 C ATOM 1323 C PHE A 83 -2.173 6.693 -0.888 1.00 0.00 C ATOM 1324 O PHE A 83 -2.765 6.014 -0.050 1.00 0.00 O ATOM 1325 CB PHE A 83 -4.033 7.350 -2.430 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.193 8.279 -3.598 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -3.289 9.308 -3.810 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.246 8.125 -4.486 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.433 10.166 -4.885 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.396 8.979 -5.561 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.487 10.000 -5.761 1.00 0.00 C ATOM 0 H PHE A 83 -3.424 4.789 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.947 7.331 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.776 6.556 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.240 7.897 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.462 9.441 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.958 7.327 -4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.722 10.964 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.222 8.849 -6.244 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.601 10.668 -6.602 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.101 7.422 -0.597 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.554 7.464 0.731 1.00 0.00 C ATOM 1343 C VAL A 84 -0.773 8.821 1.368 1.00 0.00 C ATOM 1344 O VAL A 84 -0.196 9.822 0.935 1.00 0.00 O ATOM 1345 CB VAL A 84 0.948 7.174 0.693 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.431 6.795 2.063 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.266 6.078 -0.306 1.00 0.00 C ATOM 0 H VAL A 84 -0.599 7.992 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.065 6.705 1.323 1.00 0.00 H new ATOM 0 HB VAL A 84 1.466 8.078 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.501 6.590 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.241 7.615 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.902 5.904 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.340 5.892 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.741 5.165 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.945 6.388 -1.301 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.602 8.836 2.404 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.912 10.063 3.126 1.00 0.00 C ATOM 1359 C ILE A 85 -1.677 9.869 4.623 1.00 0.00 C ATOM 1360 O ILE A 85 -1.808 8.758 5.134 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.376 10.494 2.880 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.953 9.770 1.657 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.467 12.001 2.692 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -5.382 10.152 1.339 1.00 0.00 C ATOM 0 H ILE A 85 -2.074 8.007 2.765 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.252 10.848 2.756 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.964 10.218 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.328 9.985 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.903 8.694 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.505 12.284 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.098 12.502 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.863 12.298 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.720 9.599 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.021 9.911 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.436 11.222 1.137 1.00 0.00 H new ATOM 1376 N PRO A 86 -1.322 10.943 5.356 1.00 0.00 N ATOM 1377 CA PRO A 86 -1.072 10.854 6.796 1.00 0.00 C ATOM 1378 C PRO A 86 -2.362 10.799 7.601 1.00 0.00 C ATOM 1379 O PRO A 86 -2.582 11.623 8.490 1.00 0.00 O ATOM 1380 CB PRO A 86 -0.309 12.143 7.104 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.770 13.117 6.074 1.00 0.00 C ATOM 1382 CD PRO A 86 -1.137 12.316 4.847 1.00 0.00 C ATOM 0 HA PRO A 86 -0.529 9.947 7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.527 12.500 8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.768 11.988 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.627 13.685 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.015 13.837 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.047 12.695 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.351 12.359 4.093 1.00 0.00 H new ATOM 1390 N ASN A 87 -3.222 9.837 7.284 1.00 0.00 N ATOM 1391 CA ASN A 87 -4.488 9.715 7.989 1.00 0.00 C ATOM 1392 C ASN A 87 -4.873 8.265 8.284 1.00 0.00 C ATOM 1393 O ASN A 87 -5.759 8.018 9.101 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.602 10.402 7.198 1.00 0.00 C ATOM 1395 CG ASN A 87 -6.484 11.269 8.075 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -5.996 12.121 8.819 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -7.792 11.057 7.991 1.00 0.00 N ATOM 0 H ASN A 87 -3.067 9.141 6.554 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.357 10.209 8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.161 11.015 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.214 9.646 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.436 11.611 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.153 10.341 7.361 1.00 0.00 H new ATOM 1404 N LEU A 88 -4.227 7.308 7.620 1.00 0.00 N ATOM 1405 CA LEU A 88 -4.532 5.895 7.827 1.00 0.00 C ATOM 1406 C LEU A 88 -5.805 5.511 7.092 1.00 0.00 C ATOM 1407 O LEU A 88 -6.839 5.258 7.711 1.00 0.00 O ATOM 1408 CB LEU A 88 -4.676 5.567 9.320 1.00 0.00 C ATOM 1409 CG LEU A 88 -4.550 4.082 9.672 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -3.087 3.682 9.783 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -5.287 3.779 10.967 1.00 0.00 C ATOM 0 H LEU A 88 -3.491 7.485 6.936 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.699 5.317 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.918 6.122 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.647 5.925 9.663 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.005 3.498 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.017 2.624 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.587 3.863 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.607 4.272 10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.188 2.719 11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.861 4.372 11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.342 4.028 10.852 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.749 5.457 5.752 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.902 5.092 4.931 1.00 0.00 C ATOM 1425 C PRO A 89 -7.238 3.607 5.019 1.00 0.00 C ATOM 1426 O PRO A 89 -7.841 3.049 4.103 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.463 5.463 3.515 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.976 5.378 3.543 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.557 5.748 4.936 1.00 0.00 C ATOM 0 HA PRO A 89 -7.809 5.602 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.884 4.779 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.797 6.465 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.640 4.372 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.534 6.055 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.696 5.164 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.274 6.798 5.003 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.856 2.972 6.133 1.00 0.00 N ATOM 1438 CA VAL A 90 -7.132 1.555 6.356 1.00 0.00 C ATOM 1439 C VAL A 90 -6.204 0.652 5.550 1.00 0.00 C ATOM 1440 O VAL A 90 -6.359 -0.570 5.549 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.583 1.232 5.988 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.927 -0.211 6.329 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -9.531 2.202 6.682 1.00 0.00 C ATOM 0 H VAL A 90 -6.352 3.424 6.896 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.959 1.363 7.415 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.699 1.350 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.963 -0.412 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.270 -0.882 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.795 -0.374 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.559 1.962 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.410 2.119 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.302 3.221 6.369 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.242 1.258 4.866 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.283 0.512 4.050 1.00 0.00 C ATOM 1455 C ASN A 91 -4.967 -0.582 3.234 1.00 0.00 C ATOM 1456 O ASN A 91 -4.649 -1.764 3.371 1.00 0.00 O ATOM 1457 CB ASN A 91 -3.191 -0.102 4.930 1.00 0.00 C ATOM 1458 CG ASN A 91 -3.722 -1.152 5.886 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -4.329 -0.827 6.907 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -3.488 -2.417 5.564 1.00 0.00 N ATOM 0 H ASN A 91 -5.102 2.268 4.858 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.830 1.219 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.428 -0.551 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.705 0.689 5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.815 -3.167 6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.981 -2.640 4.708 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.894 -0.183 2.374 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.599 -1.138 1.529 1.00 0.00 C ATOM 1469 C LEU A 92 -5.989 -1.161 0.140 1.00 0.00 C ATOM 1470 O LEU A 92 -5.623 -0.122 -0.408 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.096 -0.816 1.425 1.00 0.00 C ATOM 1472 CG LEU A 92 -8.479 0.665 1.520 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.043 1.148 0.194 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.488 0.886 2.637 1.00 0.00 C ATOM 0 H LEU A 92 -6.174 0.789 2.243 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.496 -2.118 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.465 -1.205 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.618 -1.356 2.215 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.582 1.240 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.311 2.201 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.293 1.023 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.930 0.566 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.748 1.943 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.386 0.301 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.054 0.572 3.586 1.00 0.00 H new ATOM 1486 N TRP A 93 -5.894 -2.352 -0.427 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.342 -2.516 -1.758 1.00 0.00 C ATOM 1488 C TRP A 93 -6.418 -2.240 -2.793 1.00 0.00 C ATOM 1489 O TRP A 93 -7.489 -1.733 -2.462 1.00 0.00 O ATOM 1490 CB TRP A 93 -4.789 -3.934 -1.919 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.324 -3.986 -2.230 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -2.688 -4.947 -2.959 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.309 -3.051 -1.828 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.347 -4.674 -3.034 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.090 -3.518 -2.355 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.306 -1.868 -1.080 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 0.110 -2.849 -2.162 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.109 -1.204 -0.891 1.00 0.00 C ATOM 1499 CH2 TRP A 93 0.084 -1.696 -1.430 1.00 0.00 C ATOM 0 H TRP A 93 -6.193 -3.221 0.016 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.526 -1.808 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.975 -4.492 -1.001 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.337 -4.438 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.171 -5.800 -3.412 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.653 -5.243 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.222 -1.481 -0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.033 -3.227 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.094 -0.289 -0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.003 -1.154 -1.264 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.131 -2.559 -4.043 1.00 0.00 N ATOM 1511 CA GLY A 94 -7.093 -2.320 -5.096 1.00 0.00 C ATOM 1512 C GLY A 94 -7.643 -3.605 -5.681 1.00 0.00 C ATOM 1513 O GLY A 94 -6.959 -4.627 -5.700 1.00 0.00 O ATOM 0 H GLY A 94 -5.252 -2.978 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.915 -1.722 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.623 -1.736 -5.887 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.884 -3.557 -6.155 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.532 -4.732 -6.733 1.00 0.00 C ATOM 1519 C ARG A 95 -8.632 -5.421 -7.757 1.00 0.00 C ATOM 1520 O ARG A 95 -8.781 -6.614 -8.020 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.857 -4.340 -7.384 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.703 -5.533 -7.800 1.00 0.00 C ATOM 1523 CD ARG A 95 -13.160 -5.145 -8.005 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.761 -4.611 -6.784 1.00 0.00 N ATOM 1525 CZ ARG A 95 -15.063 -4.662 -6.513 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.910 -5.222 -7.370 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.522 -4.150 -5.380 1.00 0.00 N ATOM 0 H ARG A 95 -9.462 -2.717 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.723 -5.436 -5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.427 -3.725 -6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.654 -3.725 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.306 -5.957 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.637 -6.310 -7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.229 -4.401 -8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.724 -6.017 -8.336 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.145 -4.173 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.564 -5.617 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.906 -5.256 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.878 -3.718 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.519 -4.188 -5.170 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.699 -4.668 -8.330 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.782 -5.218 -9.319 1.00 0.00 C ATOM 1543 C ASP A 96 -5.743 -6.128 -8.664 1.00 0.00 C ATOM 1544 O ASP A 96 -5.472 -7.224 -9.154 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.087 -4.091 -10.091 1.00 0.00 C ATOM 1546 CG ASP A 96 -5.521 -3.013 -9.184 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -6.186 -2.664 -8.185 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -4.413 -2.516 -9.474 1.00 0.00 O ATOM 0 H ASP A 96 -7.559 -3.678 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.365 -5.817 -10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.281 -4.513 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.798 -3.640 -10.783 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.158 -5.669 -7.558 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.146 -6.453 -6.854 1.00 0.00 C ATOM 1555 C LEU A 97 -4.764 -7.663 -6.160 1.00 0.00 C ATOM 1556 O LEU A 97 -4.183 -8.747 -6.167 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.386 -5.587 -5.838 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.613 -4.391 -6.417 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -1.199 -4.348 -5.860 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -2.575 -4.438 -7.938 1.00 0.00 C ATOM 0 H LEU A 97 -5.366 -4.765 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.437 -6.814 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.100 -5.212 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.682 -6.224 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.139 -3.484 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.668 -3.495 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.238 -4.251 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.676 -5.267 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.021 -3.578 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.084 -5.356 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.592 -4.414 -8.328 1.00 0.00 H new ATOM 1572 N LEU A 98 -5.943 -7.482 -5.568 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.619 -8.583 -4.886 1.00 0.00 C ATOM 1574 C LEU A 98 -7.121 -9.605 -5.900 1.00 0.00 C ATOM 1575 O LEU A 98 -6.909 -10.810 -5.741 1.00 0.00 O ATOM 1576 CB LEU A 98 -7.786 -8.069 -4.030 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.396 -7.182 -2.843 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.074 -7.624 -2.232 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.318 -5.729 -3.276 1.00 0.00 C ATOM 0 H LEU A 98 -6.445 -6.594 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.898 -9.064 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.465 -7.508 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.342 -8.927 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.167 -7.284 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.826 -6.974 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.161 -8.653 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.287 -7.562 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.040 -5.110 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.569 -5.623 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.289 -5.410 -3.655 1.00 0.00 H new ATOM 1591 N SER A 99 -7.776 -9.115 -6.951 1.00 0.00 N ATOM 1592 CA SER A 99 -8.300 -9.982 -8.002 1.00 0.00 C ATOM 1593 C SER A 99 -7.230 -10.957 -8.479 1.00 0.00 C ATOM 1594 O SER A 99 -7.460 -12.164 -8.550 1.00 0.00 O ATOM 1595 CB SER A 99 -8.804 -9.147 -9.182 1.00 0.00 C ATOM 1596 OG SER A 99 -9.247 -9.978 -10.243 1.00 0.00 O ATOM 0 H SER A 99 -7.956 -8.122 -7.096 1.00 0.00 H new ATOM 0 HA SER A 99 -9.133 -10.551 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.621 -8.504 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.007 -8.494 -9.536 1.00 0.00 H new ATOM 0 HG SER A 99 -9.710 -9.433 -10.914 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.058 -10.424 -8.796 1.00 0.00 N ATOM 1603 CA GLN A 100 -4.943 -11.240 -9.261 1.00 0.00 C ATOM 1604 C GLN A 100 -4.342 -12.045 -8.116 1.00 0.00 C ATOM 1605 O GLN A 100 -3.926 -13.191 -8.299 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.867 -10.348 -9.865 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.233 -9.785 -11.230 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.121 -8.948 -11.833 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -2.236 -9.468 -12.515 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -3.161 -7.644 -11.588 1.00 0.00 N ATOM 0 H GLN A 100 -5.854 -9.426 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.320 -11.931 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.668 -9.522 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.942 -10.918 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.472 -10.606 -11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.132 -9.176 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.912 -7.255 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.441 -7.031 -11.970 1.00 0.00 H new ATOM 1619 N MET A 101 -4.290 -11.429 -6.939 1.00 0.00 N ATOM 1620 CA MET A 101 -3.731 -12.068 -5.749 1.00 0.00 C ATOM 1621 C MET A 101 -4.158 -13.527 -5.643 1.00 0.00 C ATOM 1622 O MET A 101 -3.325 -14.431 -5.686 1.00 0.00 O ATOM 1623 CB MET A 101 -4.164 -11.308 -4.494 1.00 0.00 C ATOM 1624 CG MET A 101 -3.010 -10.936 -3.582 1.00 0.00 C ATOM 1625 SD MET A 101 -3.493 -9.780 -2.290 1.00 0.00 S ATOM 1626 CE MET A 101 -2.996 -8.229 -3.031 1.00 0.00 C ATOM 0 H MET A 101 -4.631 -10.481 -6.782 1.00 0.00 H new ATOM 0 HA MET A 101 -2.645 -12.041 -5.836 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.688 -10.400 -4.792 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.875 -11.918 -3.937 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.608 -11.840 -3.124 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.209 -10.497 -4.177 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.213 -7.411 -2.344 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.927 -8.252 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.545 -8.077 -3.960 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.459 -13.749 -5.507 1.00 0.00 N ATOM 1637 CA LYS A 102 -5.987 -15.103 -5.396 1.00 0.00 C ATOM 1638 C LYS A 102 -7.509 -15.106 -5.440 1.00 0.00 C ATOM 1639 O LYS A 102 -8.153 -15.931 -4.789 1.00 0.00 O ATOM 1640 CB LYS A 102 -5.504 -15.754 -4.101 1.00 0.00 C ATOM 1641 CG LYS A 102 -5.795 -17.243 -4.021 1.00 0.00 C ATOM 1642 CD LYS A 102 -4.538 -18.071 -4.234 1.00 0.00 C ATOM 1643 CE LYS A 102 -4.859 -19.429 -4.836 1.00 0.00 C ATOM 1644 NZ LYS A 102 -5.093 -20.459 -3.787 1.00 0.00 N ATOM 0 H LYS A 102 -6.165 -13.014 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.619 -15.677 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.430 -15.597 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.976 -15.254 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.226 -17.478 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.539 -17.510 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.854 -17.533 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.025 -18.206 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.744 -19.346 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.037 -19.745 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.309 -21.371 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.240 -20.556 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.894 -20.170 -3.189 1.00 0.00 H new ATOM 1658 N ILE A 103 -8.084 -14.188 -6.208 1.00 0.00 N ATOM 1659 CA ILE A 103 -9.536 -14.104 -6.325 1.00 0.00 C ATOM 1660 C ILE A 103 -10.000 -14.601 -7.692 1.00 0.00 C ATOM 1661 O ILE A 103 -10.674 -15.626 -7.793 1.00 0.00 O ATOM 1662 CB ILE A 103 -10.035 -12.660 -6.083 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -10.011 -12.332 -4.589 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.439 -12.462 -6.643 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -8.670 -12.574 -3.932 1.00 0.00 C ATOM 0 H ILE A 103 -7.572 -13.496 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.966 -14.746 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.362 -11.980 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.289 -11.287 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.767 -12.932 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.763 -11.438 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.433 -12.653 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.126 -13.154 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.732 -12.319 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.398 -13.624 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.913 -11.953 -4.411 1.00 0.00 H new ATOM 1677 N MET A 104 -9.632 -13.873 -8.741 1.00 0.00 N ATOM 1678 CA MET A 104 -10.010 -14.248 -10.098 1.00 0.00 C ATOM 1679 C MET A 104 -9.422 -15.606 -10.466 1.00 0.00 C ATOM 1680 O MET A 104 -8.408 -16.026 -9.906 1.00 0.00 O ATOM 1681 CB MET A 104 -9.535 -13.187 -11.094 1.00 0.00 C ATOM 1682 CG MET A 104 -10.323 -13.177 -12.393 1.00 0.00 C ATOM 1683 SD MET A 104 -10.402 -11.540 -13.144 1.00 0.00 S ATOM 1684 CE MET A 104 -8.661 -11.119 -13.219 1.00 0.00 C ATOM 0 H MET A 104 -9.074 -13.022 -8.678 1.00 0.00 H new ATOM 0 HA MET A 104 -11.097 -14.316 -10.142 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.607 -12.205 -10.627 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.482 -13.357 -11.319 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.866 -13.873 -13.096 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.335 -13.534 -12.202 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.547 -10.115 -13.629 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.235 -11.152 -12.216 1.00 0.00 H new ATOM 0 HE3 MET A 104 -8.141 -11.833 -13.858 1.00 0.00 H new ATOM 1694 N MET A 105 -10.061 -16.289 -11.408 1.00 0.00 N ATOM 1695 CA MET A 105 -9.599 -17.600 -11.847 1.00 0.00 C ATOM 1696 C MET A 105 -8.512 -17.468 -12.908 1.00 0.00 C ATOM 1697 O MET A 105 -8.780 -17.589 -14.104 1.00 0.00 O ATOM 1698 CB MET A 105 -10.770 -18.418 -12.398 1.00 0.00 C ATOM 1699 CG MET A 105 -10.600 -19.918 -12.220 1.00 0.00 C ATOM 1700 SD MET A 105 -12.107 -20.726 -11.644 1.00 0.00 S ATOM 1701 CE MET A 105 -11.727 -20.955 -9.910 1.00 0.00 C ATOM 0 H MET A 105 -10.901 -15.957 -11.883 1.00 0.00 H new ATOM 0 HA MET A 105 -9.177 -18.116 -10.985 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.688 -18.103 -11.902 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.889 -18.197 -13.459 1.00 0.00 H new ATOM 0 HG2 MET A 105 -10.295 -20.360 -13.169 1.00 0.00 H new ATOM 0 HG3 MET A 105 -9.797 -20.107 -11.508 1.00 0.00 H new ATOM 0 HE1 MET A 105 -12.566 -21.445 -9.415 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.836 -21.575 -9.812 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.548 -19.985 -9.446 1.00 0.00 H new ATOM 1711 N ALA A 106 -7.284 -17.218 -12.464 1.00 0.00 N ATOM 1712 CA ALA A 106 -6.157 -17.069 -13.377 1.00 0.00 C ATOM 1713 C ALA A 106 -5.260 -18.301 -13.348 1.00 0.00 C ATOM 1714 O ALA A 106 -4.940 -18.824 -12.280 1.00 0.00 O ATOM 1715 CB ALA A 106 -5.356 -15.822 -13.028 1.00 0.00 C ATOM 0 H ALA A 106 -7.045 -17.114 -11.478 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.552 -16.963 -14.387 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.518 -15.723 -13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.997 -14.944 -13.108 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.979 -15.905 -12.009 1.00 0.00 H new ATOM 1721 N SER A 107 -4.854 -18.759 -14.528 1.00 0.00 N ATOM 1722 CA SER A 107 -3.992 -19.930 -14.639 1.00 0.00 C ATOM 1723 C SER A 107 -2.664 -19.567 -15.297 1.00 0.00 C ATOM 1724 O SER A 107 -1.609 -19.864 -14.700 1.00 0.00 O ATOM 1725 CB SER A 107 -4.689 -21.030 -15.443 1.00 0.00 C ATOM 1726 OG SER A 107 -5.290 -21.986 -14.587 1.00 0.00 O ATOM 1727 OXT SER A 107 -2.693 -18.988 -16.403 1.00 0.00 O ATOM 0 H SER A 107 -5.108 -18.337 -15.421 1.00 0.00 H new ATOM 0 HA SER A 107 -3.791 -20.298 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.448 -20.587 -16.088 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.966 -21.523 -16.093 1.00 0.00 H new ATOM 0 HG SER A 107 -5.730 -22.677 -15.126 1.00 0.00 H new TER 1733 SER A 107