USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 779 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 20 LYS NZ :NH3+ -139:sc= -6.42! (180deg=-10.1!) USER MOD Set 1.2: A 83 ASN : amide:sc= -9.2! K(o=-16!,f=-9.2) USER MOD Set 2.1: A 46 MET CE :methyl 179:sc= -2.63 (180deg=0) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 137:sc= -3.63 (180deg=-0.628) USER MOD Single : A 2 GLN : amide:sc= -0.641 K(o=-0.64,f=-2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 14:sc= 1.21 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.43! C(o=-3.4!,f=-5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 36 MET CE :methyl -107:sc=-0.00439 (180deg=-1.11) USER MOD Single : A 37 SER OG : rot 100:sc= -0.164! USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0749) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.048 (180deg=-0.601) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 59 TYR OH : rot 180:sc= -2.61! USER MOD Single : A 61 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.55) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.183 (180deg=-0.858) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0831 K(o=-0.083,f=-2!) USER MOD Single : A 91 THR OG1 : rot 65:sc= -0.565 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 47.338 6.114 -16.992 1.00 0.00 N ATOM 2 CA PRO A 1 48.332 5.016 -17.045 1.00 0.00 C ATOM 3 C PRO A 1 49.739 5.595 -16.935 1.00 0.00 C ATOM 4 O PRO A 1 50.574 5.086 -16.188 1.00 0.00 O ATOM 5 CB PRO A 1 48.167 4.284 -18.373 1.00 0.00 C ATOM 6 CG PRO A 1 46.915 4.843 -18.974 1.00 0.00 C ATOM 7 CD PRO A 1 46.657 6.206 -18.311 1.00 0.00 C ATOM 0 H2 PRO A 1 47.798 6.997 -16.769 1.00 0.00 H new ATOM 0 H3 PRO A 1 46.656 5.938 -16.254 1.00 0.00 H new ATOM 0 HA PRO A 1 48.177 4.322 -16.219 1.00 0.00 H new ATOM 0 HB2 PRO A 1 49.025 4.450 -19.024 1.00 0.00 H new ATOM 0 HB3 PRO A 1 48.085 3.208 -18.222 1.00 0.00 H new ATOM 0 HG2 PRO A 1 47.024 4.955 -20.053 1.00 0.00 H new ATOM 0 HG3 PRO A 1 46.075 4.169 -18.807 1.00 0.00 H new ATOM 0 HD2 PRO A 1 47.061 7.022 -18.910 1.00 0.00 H new ATOM 0 HD3 PRO A 1 45.590 6.395 -18.194 1.00 0.00 H new ATOM 17 N GLN A 2 49.997 6.660 -17.688 1.00 0.00 N ATOM 18 CA GLN A 2 51.310 7.295 -17.667 1.00 0.00 C ATOM 19 C GLN A 2 51.656 7.762 -16.257 1.00 0.00 C ATOM 20 O GLN A 2 52.809 7.685 -15.833 1.00 0.00 O ATOM 21 CB GLN A 2 51.325 8.492 -18.620 1.00 0.00 C ATOM 22 CG GLN A 2 51.024 8.021 -20.046 1.00 0.00 C ATOM 23 CD GLN A 2 52.162 7.148 -20.564 1.00 0.00 C ATOM 24 OE1 GLN A 2 52.273 5.981 -20.189 1.00 0.00 O ATOM 25 NE2 GLN A 2 53.018 7.647 -21.413 1.00 0.00 N ATOM 0 H GLN A 2 49.322 7.098 -18.314 1.00 0.00 H new ATOM 0 HA GLN A 2 52.052 6.564 -17.988 1.00 0.00 H new ATOM 0 HB2 GLN A 2 50.585 9.228 -18.306 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.297 8.983 -18.587 1.00 0.00 H new ATOM 0 HG2 GLN A 2 50.090 7.460 -20.062 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.890 8.882 -20.700 1.00 0.00 H new ATOM 0 HE21 GLN A 2 52.924 8.614 -21.723 1.00 0.00 H new ATOM 0 HE22 GLN A 2 53.781 7.070 -21.767 1.00 0.00 H new ATOM 34 N ILE A 3 50.650 8.242 -15.533 1.00 0.00 N ATOM 35 CA ILE A 3 50.861 8.716 -14.170 1.00 0.00 C ATOM 36 C ILE A 3 51.381 7.586 -13.289 1.00 0.00 C ATOM 37 O ILE A 3 52.069 7.825 -12.296 1.00 0.00 O ATOM 38 CB ILE A 3 49.550 9.253 -13.593 1.00 0.00 C ATOM 39 CG1 ILE A 3 49.844 10.074 -12.334 1.00 0.00 C ATOM 40 CG2 ILE A 3 48.632 8.085 -13.230 1.00 0.00 C ATOM 41 CD1 ILE A 3 48.589 10.846 -11.923 1.00 0.00 C ATOM 0 H ILE A 3 49.688 8.313 -15.864 1.00 0.00 H new ATOM 0 HA ILE A 3 51.600 9.517 -14.193 1.00 0.00 H new ATOM 0 HB ILE A 3 49.061 9.883 -14.336 1.00 0.00 H new ATOM 0 HG12 ILE A 3 50.161 9.417 -11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 3 50.664 10.767 -12.522 1.00 0.00 H new ATOM 0 HG21 ILE A 3 47.699 8.470 -12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 3 48.420 7.497 -14.123 1.00 0.00 H new ATOM 0 HG23 ILE A 3 49.122 7.454 -12.488 1.00 0.00 H new ATOM 0 HD11 ILE A 3 48.798 11.430 -11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 3 48.292 11.515 -12.731 1.00 0.00 H new ATOM 0 HD13 ILE A 3 47.781 10.144 -11.718 1.00 0.00 H new ATOM 53 N THR A 4 51.044 6.355 -13.657 1.00 0.00 N ATOM 54 CA THR A 4 51.477 5.191 -12.889 1.00 0.00 C ATOM 55 C THR A 4 52.843 4.705 -13.365 1.00 0.00 C ATOM 56 O THR A 4 53.107 4.638 -14.565 1.00 0.00 O ATOM 57 CB THR A 4 50.452 4.064 -13.035 1.00 0.00 C ATOM 58 OG1 THR A 4 49.169 4.542 -12.656 1.00 0.00 O ATOM 59 CG2 THR A 4 50.847 2.891 -12.135 1.00 0.00 C ATOM 0 H THR A 4 50.477 6.137 -14.476 1.00 0.00 H new ATOM 0 HA THR A 4 51.557 5.480 -11.841 1.00 0.00 H new ATOM 0 HB THR A 4 50.425 3.730 -14.072 1.00 0.00 H new ATOM 0 HG1 THR A 4 48.511 3.822 -12.750 1.00 0.00 H new ATOM 0 HG21 THR A 4 50.116 2.089 -12.240 1.00 0.00 H new ATOM 0 HG22 THR A 4 51.832 2.525 -12.426 1.00 0.00 H new ATOM 0 HG23 THR A 4 50.875 3.222 -11.097 1.00 0.00 H new ATOM 67 N LEU A 5 53.705 4.362 -12.412 1.00 0.00 N ATOM 68 CA LEU A 5 55.042 3.878 -12.738 1.00 0.00 C ATOM 69 C LEU A 5 55.192 2.415 -12.327 1.00 0.00 C ATOM 70 O LEU A 5 54.682 2.001 -11.286 1.00 0.00 O ATOM 71 CB LEU A 5 56.095 4.723 -12.017 1.00 0.00 C ATOM 72 CG LEU A 5 55.614 5.039 -10.600 1.00 0.00 C ATOM 73 CD1 LEU A 5 56.782 4.908 -9.622 1.00 0.00 C ATOM 74 CD2 LEU A 5 55.073 6.471 -10.555 1.00 0.00 C ATOM 0 H LEU A 5 53.503 4.410 -11.413 1.00 0.00 H new ATOM 0 HA LEU A 5 55.188 3.961 -13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 5 57.043 4.187 -11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 5 56.273 5.647 -12.566 1.00 0.00 H new ATOM 0 HG LEU A 5 54.826 4.340 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 5 56.438 5.133 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 5 57.171 3.890 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 5 57.571 5.607 -9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 5 54.729 6.699 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 5 55.863 7.167 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 5 54.241 6.568 -11.252 1.00 0.00 H new ATOM 86 N TRP A 6 55.895 1.638 -13.145 1.00 0.00 N ATOM 87 CA TRP A 6 56.099 0.224 -12.843 1.00 0.00 C ATOM 88 C TRP A 6 56.872 0.065 -11.538 1.00 0.00 C ATOM 89 O TRP A 6 57.835 0.788 -11.282 1.00 0.00 O ATOM 90 CB TRP A 6 56.869 -0.451 -13.980 1.00 0.00 C ATOM 91 CG TRP A 6 55.985 -0.574 -15.180 1.00 0.00 C ATOM 92 CD1 TRP A 6 54.966 -1.453 -15.303 1.00 0.00 C ATOM 93 CD2 TRP A 6 56.026 0.182 -16.425 1.00 0.00 C ATOM 94 NE1 TRP A 6 54.375 -1.284 -16.542 1.00 0.00 N ATOM 95 CE2 TRP A 6 54.993 -0.288 -17.271 1.00 0.00 C ATOM 96 CE3 TRP A 6 56.849 1.220 -16.898 1.00 0.00 C ATOM 97 CZ2 TRP A 6 54.785 0.251 -18.540 1.00 0.00 C ATOM 98 CZ3 TRP A 6 56.641 1.766 -18.175 1.00 0.00 C ATOM 99 CH2 TRP A 6 55.610 1.282 -18.994 1.00 0.00 C ATOM 0 H TRP A 6 56.328 1.957 -14.011 1.00 0.00 H new ATOM 0 HA TRP A 6 55.123 -0.250 -12.737 1.00 0.00 H new ATOM 0 HB2 TRP A 6 57.757 0.131 -14.228 1.00 0.00 H new ATOM 0 HB3 TRP A 6 57.212 -1.437 -13.666 1.00 0.00 H new ATOM 0 HD1 TRP A 6 54.662 -2.171 -14.555 1.00 0.00 H new ATOM 0 HE1 TRP A 6 53.580 -1.829 -16.876 1.00 0.00 H new ATOM 0 HE3 TRP A 6 57.646 1.599 -16.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 53.991 -0.126 -19.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 57.278 2.563 -18.529 1.00 0.00 H new ATOM 0 HH2 TRP A 6 55.455 1.706 -19.975 1.00 0.00 H new ATOM 110 N LYS A 7 56.442 -0.886 -10.716 1.00 0.00 N ATOM 111 CA LYS A 7 57.098 -1.132 -9.436 1.00 0.00 C ATOM 112 C LYS A 7 58.555 -1.535 -9.641 1.00 0.00 C ATOM 113 O LYS A 7 59.428 -1.144 -8.866 1.00 0.00 O ATOM 114 CB LYS A 7 56.362 -2.238 -8.676 1.00 0.00 C ATOM 115 CG LYS A 7 54.953 -1.759 -8.324 1.00 0.00 C ATOM 116 CD LYS A 7 54.257 -2.808 -7.456 1.00 0.00 C ATOM 117 CE LYS A 7 52.811 -2.382 -7.202 1.00 0.00 C ATOM 118 NZ LYS A 7 51.885 -3.312 -7.907 1.00 0.00 N ATOM 0 H LYS A 7 55.648 -1.496 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 7 57.070 -0.210 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 7 56.310 -3.141 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 7 56.908 -2.497 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 7 55.003 -0.808 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 7 54.379 -1.586 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 7 54.280 -3.779 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 7 54.786 -2.921 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 52.602 -2.387 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 52.655 -1.362 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 50.902 -3.021 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 52.078 -3.286 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 52.028 -4.279 -7.552 1.00 0.00 H new ATOM 132 N ARG A 8 58.811 -2.319 -10.683 1.00 0.00 N ATOM 133 CA ARG A 8 60.169 -2.770 -10.972 1.00 0.00 C ATOM 134 C ARG A 8 60.877 -1.797 -11.925 1.00 0.00 C ATOM 135 O ARG A 8 60.513 -1.709 -13.098 1.00 0.00 O ATOM 136 CB ARG A 8 60.125 -4.159 -11.615 1.00 0.00 C ATOM 137 CG ARG A 8 59.348 -5.117 -10.709 1.00 0.00 C ATOM 138 CD ARG A 8 60.323 -6.076 -10.024 1.00 0.00 C ATOM 139 NE ARG A 8 59.614 -6.912 -9.063 1.00 0.00 N ATOM 140 CZ ARG A 8 60.168 -8.013 -8.568 1.00 0.00 C ATOM 141 NH1 ARG A 8 61.368 -8.366 -8.940 1.00 0.00 N ATOM 142 NH2 ARG A 8 59.510 -8.744 -7.711 1.00 0.00 N ATOM 0 H ARG A 8 58.103 -2.653 -11.337 1.00 0.00 H new ATOM 0 HA ARG A 8 60.723 -2.810 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 8 59.651 -4.103 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 8 61.137 -4.531 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 8 58.789 -4.554 -9.961 1.00 0.00 H new ATOM 0 HG3 ARG A 8 58.620 -5.679 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 8 60.813 -6.702 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 8 61.106 -5.511 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 8 58.675 -6.647 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 8 61.882 -7.796 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 8 61.792 -9.212 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 8 58.571 -8.470 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.934 -9.590 -7.330 1.00 0.00 H new ATOM 156 N PRO A 9 61.876 -1.072 -11.465 1.00 0.00 N ATOM 157 CA PRO A 9 62.621 -0.112 -12.326 1.00 0.00 C ATOM 158 C PRO A 9 63.661 -0.818 -13.194 1.00 0.00 C ATOM 159 O PRO A 9 64.105 -1.919 -12.870 1.00 0.00 O ATOM 160 CB PRO A 9 63.287 0.825 -11.323 1.00 0.00 C ATOM 161 CG PRO A 9 63.489 0.005 -10.090 1.00 0.00 C ATOM 162 CD PRO A 9 62.406 -1.079 -10.088 1.00 0.00 C ATOM 0 HA PRO A 9 61.970 0.407 -13.030 1.00 0.00 H new ATOM 0 HB2 PRO A 9 64.236 1.200 -11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 9 62.660 1.693 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.483 -0.443 -10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 9 63.414 0.626 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.819 -2.053 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.625 -0.859 -9.361 1.00 0.00 H new ATOM 170 N LEU A 10 64.047 -0.180 -14.294 1.00 0.00 N ATOM 171 CA LEU A 10 65.036 -0.769 -15.189 1.00 0.00 C ATOM 172 C LEU A 10 66.448 -0.406 -14.734 1.00 0.00 C ATOM 173 O LEU A 10 66.722 0.739 -14.378 1.00 0.00 O ATOM 174 CB LEU A 10 64.813 -0.270 -16.619 1.00 0.00 C ATOM 175 CG LEU A 10 63.365 -0.534 -17.039 1.00 0.00 C ATOM 176 CD1 LEU A 10 63.181 -0.153 -18.509 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.040 -2.019 -16.859 1.00 0.00 C ATOM 0 H LEU A 10 63.696 0.732 -14.584 1.00 0.00 H new ATOM 0 HA LEU A 10 64.923 -1.853 -15.164 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.031 0.796 -16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.497 -0.775 -17.301 1.00 0.00 H new ATOM 0 HG LEU A 10 62.697 0.064 -16.419 1.00 0.00 H new ATOM 0 HD11 LEU A 10 62.150 -0.341 -18.807 1.00 0.00 H new ATOM 0 HD12 LEU A 10 63.410 0.904 -18.642 1.00 0.00 H new ATOM 0 HD13 LEU A 10 63.852 -0.750 -19.126 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.009 -2.205 -17.159 1.00 0.00 H new ATOM 0 HD22 LEU A 10 63.711 -2.616 -17.477 1.00 0.00 H new ATOM 0 HD23 LEU A 10 63.169 -2.295 -15.813 1.00 0.00 H new ATOM 189 N VAL A 11 67.336 -1.395 -14.746 1.00 0.00 N ATOM 190 CA VAL A 11 68.718 -1.180 -14.330 1.00 0.00 C ATOM 191 C VAL A 11 69.680 -1.623 -15.427 1.00 0.00 C ATOM 192 O VAL A 11 69.456 -2.636 -16.089 1.00 0.00 O ATOM 193 CB VAL A 11 69.004 -1.964 -13.047 1.00 0.00 C ATOM 194 CG1 VAL A 11 70.395 -1.605 -12.519 1.00 0.00 C ATOM 195 CG2 VAL A 11 67.955 -1.611 -11.991 1.00 0.00 C ATOM 0 H VAL A 11 67.125 -2.349 -15.038 1.00 0.00 H new ATOM 0 HA VAL A 11 68.863 -0.116 -14.144 1.00 0.00 H new ATOM 0 HB VAL A 11 68.964 -3.032 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 11 70.593 -2.166 -11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.145 -1.856 -13.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 70.439 -0.537 -12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 11 68.157 -2.169 -11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 11 67.996 -0.542 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 11 66.963 -1.870 -12.362 1.00 0.00 H new ATOM 205 N THR A 12 70.753 -0.860 -15.612 1.00 0.00 N ATOM 206 CA THR A 12 71.741 -1.190 -16.631 1.00 0.00 C ATOM 207 C THR A 12 73.138 -1.241 -16.020 1.00 0.00 C ATOM 208 O THR A 12 73.391 -0.641 -14.975 1.00 0.00 O ATOM 209 CB THR A 12 71.707 -0.146 -17.750 1.00 0.00 C ATOM 210 OG1 THR A 12 72.387 -0.654 -18.890 1.00 0.00 O ATOM 211 CG2 THR A 12 72.388 1.138 -17.275 1.00 0.00 C ATOM 0 H THR A 12 70.959 -0.017 -15.075 1.00 0.00 H new ATOM 0 HA THR A 12 71.500 -2.170 -17.044 1.00 0.00 H new ATOM 0 HB THR A 12 70.672 0.073 -18.012 1.00 0.00 H new ATOM 0 HG1 THR A 12 72.521 -1.619 -18.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 72.363 1.880 -18.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 71.864 1.526 -16.402 1.00 0.00 H new ATOM 0 HG23 THR A 12 73.424 0.924 -17.011 1.00 0.00 H new ATOM 219 N ILE A 13 74.037 -1.973 -16.670 1.00 0.00 N ATOM 220 CA ILE A 13 75.403 -2.104 -16.174 1.00 0.00 C ATOM 221 C ILE A 13 76.417 -1.738 -17.253 1.00 0.00 C ATOM 222 O ILE A 13 76.096 -1.722 -18.442 1.00 0.00 O ATOM 223 CB ILE A 13 75.638 -3.541 -15.692 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.531 -4.512 -16.877 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.581 -3.897 -14.645 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.906 -5.926 -16.424 1.00 0.00 C ATOM 0 H ILE A 13 73.847 -2.481 -17.534 1.00 0.00 H new ATOM 0 HA ILE A 13 75.537 -1.414 -15.341 1.00 0.00 H new ATOM 0 HB ILE A 13 76.633 -3.619 -15.255 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.516 -4.505 -17.275 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.191 -4.191 -17.683 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.742 -4.918 -14.298 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.658 -3.210 -13.802 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.588 -3.817 -15.088 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.828 -6.611 -17.268 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.929 -5.928 -16.048 1.00 0.00 H new ATOM 0 HD13 ILE A 13 75.228 -6.247 -15.633 1.00 0.00 H new ATOM 238 N LYS A 14 77.643 -1.451 -16.829 1.00 0.00 N ATOM 239 CA LYS A 14 78.699 -1.092 -17.768 1.00 0.00 C ATOM 240 C LYS A 14 79.712 -2.227 -17.887 1.00 0.00 C ATOM 241 O LYS A 14 80.335 -2.623 -16.901 1.00 0.00 O ATOM 242 CB LYS A 14 79.406 0.181 -17.296 1.00 0.00 C ATOM 243 CG LYS A 14 78.426 1.358 -17.341 1.00 0.00 C ATOM 244 CD LYS A 14 79.112 2.621 -16.813 1.00 0.00 C ATOM 245 CE LYS A 14 79.935 3.269 -17.933 1.00 0.00 C ATOM 246 NZ LYS A 14 79.146 4.375 -18.546 1.00 0.00 N ATOM 0 H LYS A 14 77.928 -1.460 -15.850 1.00 0.00 H new ATOM 0 HA LYS A 14 78.250 -0.915 -18.745 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.782 0.046 -16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.268 0.387 -17.931 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.083 1.519 -18.363 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.545 1.133 -16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.366 3.324 -16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.758 2.371 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 14 80.874 3.654 -17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 14 80.190 2.526 -18.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 79.701 4.817 -19.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.262 3.994 -18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.924 5.087 -17.821 1.00 0.00 H new ATOM 260 N ILE A 15 79.872 -2.749 -19.100 1.00 0.00 N ATOM 261 CA ILE A 15 80.816 -3.838 -19.328 1.00 0.00 C ATOM 262 C ILE A 15 81.558 -3.650 -20.648 1.00 0.00 C ATOM 263 O ILE A 15 80.950 -3.655 -21.717 1.00 0.00 O ATOM 264 CB ILE A 15 80.069 -5.172 -19.349 1.00 0.00 C ATOM 265 CG1 ILE A 15 81.066 -6.311 -19.573 1.00 0.00 C ATOM 266 CG2 ILE A 15 79.043 -5.168 -20.482 1.00 0.00 C ATOM 267 CD1 ILE A 15 80.377 -7.649 -19.298 1.00 0.00 C ATOM 0 H ILE A 15 79.367 -2.440 -19.931 1.00 0.00 H new ATOM 0 HA ILE A 15 81.545 -3.835 -18.517 1.00 0.00 H new ATOM 0 HB ILE A 15 79.558 -5.314 -18.397 1.00 0.00 H new ATOM 0 HG12 ILE A 15 81.441 -6.286 -20.596 1.00 0.00 H new ATOM 0 HG13 ILE A 15 81.927 -6.190 -18.915 1.00 0.00 H new ATOM 0 HG21 ILE A 15 78.512 -6.120 -20.495 1.00 0.00 H new ATOM 0 HG22 ILE A 15 78.331 -4.357 -20.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.553 -5.024 -21.434 1.00 0.00 H new ATOM 0 HD11 ILE A 15 81.085 -8.462 -19.457 1.00 0.00 H new ATOM 0 HD12 ILE A 15 80.024 -7.671 -18.267 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.530 -7.768 -19.974 1.00 0.00 H new ATOM 279 N GLY A 16 82.876 -3.500 -20.569 1.00 0.00 N ATOM 280 CA GLY A 16 83.688 -3.331 -21.769 1.00 0.00 C ATOM 281 C GLY A 16 83.155 -2.210 -22.658 1.00 0.00 C ATOM 282 O GLY A 16 82.979 -2.398 -23.861 1.00 0.00 O ATOM 0 H GLY A 16 83.401 -3.492 -19.695 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.717 -3.112 -21.484 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.705 -4.265 -22.331 1.00 0.00 H new ATOM 286 N GLY A 17 82.916 -1.043 -22.070 1.00 0.00 N ATOM 287 CA GLY A 17 82.422 0.100 -22.834 1.00 0.00 C ATOM 288 C GLY A 17 81.058 -0.184 -23.457 1.00 0.00 C ATOM 289 O GLY A 17 80.556 0.611 -24.252 1.00 0.00 O ATOM 0 H GLY A 17 83.054 -0.863 -21.076 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.350 0.970 -22.181 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.136 0.349 -23.619 1.00 0.00 H new ATOM 293 N GLN A 18 80.461 -1.314 -23.096 1.00 0.00 N ATOM 294 CA GLN A 18 79.153 -1.673 -23.635 1.00 0.00 C ATOM 295 C GLN A 18 78.099 -1.659 -22.536 1.00 0.00 C ATOM 296 O GLN A 18 78.381 -1.991 -21.385 1.00 0.00 O ATOM 297 CB GLN A 18 79.208 -3.062 -24.273 1.00 0.00 C ATOM 298 CG GLN A 18 80.143 -3.034 -25.483 1.00 0.00 C ATOM 299 CD GLN A 18 80.239 -4.425 -26.097 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.851 -5.411 -25.468 1.00 0.00 O ATOM 301 NE2 GLN A 18 80.734 -4.567 -27.296 1.00 0.00 N ATOM 0 H GLN A 18 80.855 -1.990 -22.441 1.00 0.00 H new ATOM 0 HA GLN A 18 78.883 -0.938 -24.393 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.560 -3.794 -23.546 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.209 -3.372 -24.580 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.772 -2.325 -26.223 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.133 -2.691 -25.181 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.055 -3.750 -27.815 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.800 -5.495 -27.714 1.00 0.00 H new ATOM 310 N LEU A 19 76.883 -1.274 -22.900 1.00 0.00 N ATOM 311 CA LEU A 19 75.790 -1.221 -21.940 1.00 0.00 C ATOM 312 C LEU A 19 74.916 -2.461 -22.066 1.00 0.00 C ATOM 313 O LEU A 19 74.522 -2.844 -23.168 1.00 0.00 O ATOM 314 CB LEU A 19 74.953 0.034 -22.188 1.00 0.00 C ATOM 315 CG LEU A 19 75.853 1.270 -22.107 1.00 0.00 C ATOM 316 CD1 LEU A 19 75.142 2.466 -22.741 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.168 1.592 -20.641 1.00 0.00 C ATOM 0 H LEU A 19 76.630 -0.995 -23.848 1.00 0.00 H new ATOM 0 HA LEU A 19 76.203 -1.188 -20.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.478 -0.020 -23.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.154 0.103 -21.450 1.00 0.00 H new ATOM 0 HG LEU A 19 76.781 1.068 -22.642 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.785 3.344 -22.682 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.922 2.247 -23.786 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.212 2.661 -22.208 1.00 0.00 H new ATOM 0 HD21 LEU A 19 76.809 2.472 -20.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.240 1.788 -20.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.680 0.745 -20.184 1.00 0.00 H new ATOM 329 N LYS A 20 74.619 -3.090 -20.935 1.00 0.00 N ATOM 330 CA LYS A 20 73.795 -4.291 -20.934 1.00 0.00 C ATOM 331 C LYS A 20 72.675 -4.153 -19.907 1.00 0.00 C ATOM 332 O LYS A 20 72.792 -3.383 -18.953 1.00 0.00 O ATOM 333 CB LYS A 20 74.662 -5.507 -20.602 1.00 0.00 C ATOM 334 CG LYS A 20 74.005 -6.776 -21.146 1.00 0.00 C ATOM 335 CD LYS A 20 74.887 -7.982 -20.816 1.00 0.00 C ATOM 336 CE LYS A 20 74.576 -9.124 -21.785 1.00 0.00 C ATOM 337 NZ LYS A 20 75.302 -10.352 -21.352 1.00 0.00 N ATOM 0 H LYS A 20 74.935 -2.790 -20.013 1.00 0.00 H new ATOM 0 HA LYS A 20 73.353 -4.424 -21.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.655 -5.386 -21.035 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.793 -5.588 -19.523 1.00 0.00 H new ATOM 0 HG2 LYS A 20 73.015 -6.904 -20.708 1.00 0.00 H new ATOM 0 HG3 LYS A 20 73.868 -6.695 -22.224 1.00 0.00 H new ATOM 0 HD2 LYS A 20 75.939 -7.707 -20.888 1.00 0.00 H new ATOM 0 HD3 LYS A 20 74.711 -8.304 -19.790 1.00 0.00 H new ATOM 0 HE2 LYS A 20 73.503 -9.312 -21.810 1.00 0.00 H new ATOM 0 HE3 LYS A 20 74.875 -8.849 -22.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 75.688 -10.839 -22.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 76.080 -10.089 -20.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 74.645 -10.986 -20.854 1.00 0.00 H new ATOM 351 N GLU A 21 71.595 -4.903 -20.099 1.00 0.00 N ATOM 352 CA GLU A 21 70.470 -4.850 -19.173 1.00 0.00 C ATOM 353 C GLU A 21 70.339 -6.173 -18.427 1.00 0.00 C ATOM 354 O GLU A 21 70.435 -7.243 -19.027 1.00 0.00 O ATOM 355 CB GLU A 21 69.178 -4.563 -19.940 1.00 0.00 C ATOM 356 CG GLU A 21 68.025 -4.385 -18.950 1.00 0.00 C ATOM 357 CD GLU A 21 66.714 -4.193 -19.706 1.00 0.00 C ATOM 358 OE1 GLU A 21 66.745 -4.225 -20.924 1.00 0.00 O ATOM 359 OE2 GLU A 21 65.699 -4.014 -19.053 1.00 0.00 O ATOM 0 H GLU A 21 71.475 -5.549 -20.879 1.00 0.00 H new ATOM 0 HA GLU A 21 70.647 -4.052 -18.452 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.294 -3.664 -20.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.960 -5.382 -20.625 1.00 0.00 H new ATOM 0 HG2 GLU A 21 67.955 -5.257 -18.300 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.214 -3.524 -18.309 1.00 0.00 H new ATOM 366 N ALA A 22 70.123 -6.096 -17.117 1.00 0.00 N ATOM 367 CA ALA A 22 69.988 -7.305 -16.311 1.00 0.00 C ATOM 368 C ALA A 22 69.077 -7.068 -15.112 1.00 0.00 C ATOM 369 O ALA A 22 68.906 -5.935 -14.660 1.00 0.00 O ATOM 370 CB ALA A 22 71.362 -7.766 -15.825 1.00 0.00 C ATOM 0 H ALA A 22 70.039 -5.223 -16.597 1.00 0.00 H new ATOM 0 HA ALA A 22 69.542 -8.078 -16.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.251 -8.669 -15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.000 -7.977 -16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.816 -6.981 -15.220 1.00 0.00 H new ATOM 376 N LEU A 23 68.496 -8.150 -14.602 1.00 0.00 N ATOM 377 CA LEU A 23 67.603 -8.064 -13.453 1.00 0.00 C ATOM 378 C LEU A 23 68.345 -8.440 -12.174 1.00 0.00 C ATOM 379 O LEU A 23 69.257 -9.267 -12.193 1.00 0.00 O ATOM 380 CB LEU A 23 66.410 -9.001 -13.648 1.00 0.00 C ATOM 381 CG LEU A 23 65.750 -8.711 -14.997 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.497 -9.574 -15.153 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.362 -7.233 -15.067 1.00 0.00 C ATOM 0 H LEU A 23 68.628 -9.094 -14.966 1.00 0.00 H new ATOM 0 HA LEU A 23 67.246 -7.038 -13.366 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.739 -10.039 -13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.690 -8.863 -12.841 1.00 0.00 H new ATOM 0 HG LEU A 23 66.451 -8.943 -15.799 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.029 -9.365 -16.115 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.772 -10.628 -15.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.795 -9.345 -14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.892 -7.025 -16.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.663 -7.002 -14.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.255 -6.617 -14.959 1.00 0.00 H new ATOM 395 N LEU A 24 67.952 -7.823 -11.065 1.00 0.00 N ATOM 396 CA LEU A 24 68.591 -8.096 -9.784 1.00 0.00 C ATOM 397 C LEU A 24 67.926 -9.279 -9.085 1.00 0.00 C ATOM 398 O LEU A 24 66.703 -9.317 -8.952 1.00 0.00 O ATOM 399 CB LEU A 24 68.495 -6.860 -8.885 1.00 0.00 C ATOM 400 CG LEU A 24 69.270 -5.699 -9.512 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.325 -4.849 -10.365 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.866 -4.832 -8.400 1.00 0.00 C ATOM 0 H LEU A 24 67.200 -7.135 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 24 69.637 -8.341 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.451 -6.580 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.897 -7.086 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 24 70.068 -6.093 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.880 -4.023 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.895 -5.465 -11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.526 -4.453 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.419 -4.003 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.064 -4.440 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.540 -5.434 -7.791 1.00 0.00 H new ATOM 414 N ASP A 25 68.755 -10.228 -8.635 1.00 0.00 N ATOM 415 CA ASP A 25 68.283 -11.427 -7.932 1.00 0.00 C ATOM 416 C ASP A 25 66.775 -11.613 -8.070 1.00 0.00 C ATOM 417 O ASP A 25 65.993 -10.928 -7.410 1.00 0.00 O ATOM 418 CB ASP A 25 68.645 -11.327 -6.449 1.00 0.00 C ATOM 419 CG ASP A 25 68.284 -12.625 -5.734 1.00 0.00 C ATOM 420 OD1 ASP A 25 67.907 -13.567 -6.412 1.00 0.00 O ATOM 421 OD2 ASP A 25 68.389 -12.658 -4.519 1.00 0.00 O ATOM 0 H ASP A 25 69.768 -10.187 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 25 68.771 -12.290 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 69.711 -11.126 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.115 -10.491 -5.992 1.00 0.00 H new ATOM 426 N THR A 26 66.371 -12.555 -8.914 1.00 0.00 N ATOM 427 CA THR A 26 64.953 -12.832 -9.106 1.00 0.00 C ATOM 428 C THR A 26 64.498 -13.933 -8.153 1.00 0.00 C ATOM 429 O THR A 26 63.939 -13.662 -7.090 1.00 0.00 O ATOM 430 CB THR A 26 64.692 -13.261 -10.551 1.00 0.00 C ATOM 431 OG1 THR A 26 64.790 -12.129 -11.405 1.00 0.00 O ATOM 432 CG2 THR A 26 63.293 -13.867 -10.660 1.00 0.00 C ATOM 0 H THR A 26 66.998 -13.135 -9.471 1.00 0.00 H new ATOM 0 HA THR A 26 64.389 -11.923 -8.895 1.00 0.00 H new ATOM 0 HB THR A 26 65.431 -14.005 -10.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 64.625 -12.403 -12.331 1.00 0.00 H new ATOM 0 HG21 THR A 26 63.108 -14.172 -11.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.221 -14.736 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 62.551 -13.126 -10.362 1.00 0.00 H new ATOM 440 N GLY A 27 64.745 -15.177 -8.550 1.00 0.00 N ATOM 441 CA GLY A 27 64.361 -16.321 -7.732 1.00 0.00 C ATOM 442 C GLY A 27 65.436 -17.404 -7.759 1.00 0.00 C ATOM 443 O GLY A 27 65.151 -18.577 -7.522 1.00 0.00 O ATOM 0 H GLY A 27 65.206 -15.418 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 27 64.193 -15.997 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 27 63.419 -16.731 -8.095 1.00 0.00 H new ATOM 447 N ALA A 28 66.670 -17.006 -8.052 1.00 0.00 N ATOM 448 CA ALA A 28 67.771 -17.961 -8.107 1.00 0.00 C ATOM 449 C ALA A 28 69.032 -17.380 -7.472 1.00 0.00 C ATOM 450 O ALA A 28 69.222 -16.164 -7.444 1.00 0.00 O ATOM 451 CB ALA A 28 68.059 -18.336 -9.563 1.00 0.00 C ATOM 0 H ALA A 28 66.931 -16.041 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 28 67.479 -18.850 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.882 -19.050 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.170 -18.785 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.330 -17.441 -10.122 1.00 0.00 H new ATOM 457 N ASP A 29 69.895 -18.264 -6.975 1.00 0.00 N ATOM 458 CA ASP A 29 71.143 -17.836 -6.353 1.00 0.00 C ATOM 459 C ASP A 29 72.282 -17.901 -7.364 1.00 0.00 C ATOM 460 O ASP A 29 73.373 -17.381 -7.126 1.00 0.00 O ATOM 461 CB ASP A 29 71.468 -18.733 -5.156 1.00 0.00 C ATOM 462 CG ASP A 29 70.408 -18.562 -4.073 1.00 0.00 C ATOM 463 OD1 ASP A 29 69.681 -17.585 -4.132 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.338 -19.412 -3.200 1.00 0.00 O ATOM 0 H ASP A 29 69.753 -19.274 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 29 71.027 -16.808 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.511 -19.775 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 29 72.451 -18.480 -4.758 1.00 0.00 H new ATOM 469 N ASP A 30 72.015 -18.542 -8.496 1.00 0.00 N ATOM 470 CA ASP A 30 73.016 -18.676 -9.549 1.00 0.00 C ATOM 471 C ASP A 30 72.985 -17.463 -10.471 1.00 0.00 C ATOM 472 O ASP A 30 71.977 -16.762 -10.556 1.00 0.00 O ATOM 473 CB ASP A 30 72.756 -19.944 -10.364 1.00 0.00 C ATOM 474 CG ASP A 30 72.994 -21.177 -9.499 1.00 0.00 C ATOM 475 OD1 ASP A 30 73.535 -21.021 -8.417 1.00 0.00 O ATOM 476 OD2 ASP A 30 72.631 -22.259 -9.931 1.00 0.00 O ATOM 0 H ASP A 30 71.117 -18.976 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 30 73.999 -18.742 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 30 71.732 -19.943 -10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 73.412 -19.968 -11.234 1.00 0.00 H new ATOM 481 N THR A 31 74.092 -17.225 -11.166 1.00 0.00 N ATOM 482 CA THR A 31 74.170 -16.097 -12.084 1.00 0.00 C ATOM 483 C THR A 31 74.313 -16.594 -13.519 1.00 0.00 C ATOM 484 O THR A 31 75.197 -17.395 -13.822 1.00 0.00 O ATOM 485 CB THR A 31 75.371 -15.215 -11.726 1.00 0.00 C ATOM 486 OG1 THR A 31 75.267 -14.805 -10.371 1.00 0.00 O ATOM 487 CG2 THR A 31 75.395 -13.984 -12.634 1.00 0.00 C ATOM 0 H THR A 31 74.938 -17.792 -11.112 1.00 0.00 H new ATOM 0 HA THR A 31 73.253 -15.513 -11.999 1.00 0.00 H new ATOM 0 HB THR A 31 76.292 -15.782 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 31 76.035 -14.242 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 31 76.250 -13.359 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.476 -14.300 -13.674 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.476 -13.414 -12.499 1.00 0.00 H new ATOM 495 N VAL A 32 73.442 -16.109 -14.398 1.00 0.00 N ATOM 496 CA VAL A 32 73.486 -16.510 -15.799 1.00 0.00 C ATOM 497 C VAL A 32 73.399 -15.289 -16.706 1.00 0.00 C ATOM 498 O VAL A 32 72.483 -14.475 -16.580 1.00 0.00 O ATOM 499 CB VAL A 32 72.327 -17.459 -16.106 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.396 -17.900 -17.570 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.424 -18.688 -15.199 1.00 0.00 C ATOM 0 H VAL A 32 72.704 -15.444 -14.168 1.00 0.00 H new ATOM 0 HA VAL A 32 74.432 -17.020 -15.983 1.00 0.00 H new ATOM 0 HB VAL A 32 71.382 -16.946 -15.928 1.00 0.00 H new ATOM 0 HG11 VAL A 32 71.569 -18.576 -17.786 1.00 0.00 H new ATOM 0 HG12 VAL A 32 72.328 -17.025 -18.217 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.341 -18.413 -17.751 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.599 -19.366 -15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.370 -19.199 -15.378 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.372 -18.375 -14.156 1.00 0.00 H new ATOM 511 N ILE A 33 74.349 -15.172 -17.623 1.00 0.00 N ATOM 512 CA ILE A 33 74.363 -14.047 -18.549 1.00 0.00 C ATOM 513 C ILE A 33 74.397 -14.538 -19.992 1.00 0.00 C ATOM 514 O ILE A 33 75.102 -15.494 -20.312 1.00 0.00 O ATOM 515 CB ILE A 33 75.574 -13.154 -18.278 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.529 -12.666 -16.828 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.538 -11.951 -19.221 1.00 0.00 C ATOM 518 CD1 ILE A 33 76.796 -11.868 -16.516 1.00 0.00 C ATOM 0 H ILE A 33 75.114 -15.835 -17.746 1.00 0.00 H new ATOM 0 HA ILE A 33 73.451 -13.469 -18.398 1.00 0.00 H new ATOM 0 HB ILE A 33 76.491 -13.720 -18.444 1.00 0.00 H new ATOM 0 HG12 ILE A 33 74.648 -12.045 -16.670 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.446 -13.516 -16.150 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.401 -11.313 -19.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.565 -12.298 -20.254 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.623 -11.384 -19.053 1.00 0.00 H new ATOM 0 HD11 ILE A 33 76.762 -11.521 -15.483 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.670 -12.503 -16.657 1.00 0.00 H new ATOM 0 HD13 ILE A 33 76.859 -11.010 -17.185 1.00 0.00 H new ATOM 530 N GLU A 34 73.648 -13.869 -20.862 1.00 0.00 N ATOM 531 CA GLU A 34 73.626 -14.247 -22.272 1.00 0.00 C ATOM 532 C GLU A 34 74.986 -13.965 -22.904 1.00 0.00 C ATOM 533 O GLU A 34 75.853 -13.353 -22.281 1.00 0.00 O ATOM 534 CB GLU A 34 72.537 -13.462 -23.013 1.00 0.00 C ATOM 535 CG GLU A 34 73.081 -12.098 -23.453 1.00 0.00 C ATOM 536 CD GLU A 34 71.943 -11.205 -23.941 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.827 -11.690 -24.022 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.205 -10.048 -24.224 1.00 0.00 O ATOM 0 H GLU A 34 73.056 -13.074 -20.622 1.00 0.00 H new ATOM 0 HA GLU A 34 73.407 -15.312 -22.348 1.00 0.00 H new ATOM 0 HB2 GLU A 34 72.199 -14.026 -23.883 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.671 -13.326 -22.365 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.597 -11.619 -22.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 73.814 -12.231 -24.248 1.00 0.00 H new ATOM 545 N GLU A 35 75.169 -14.410 -24.144 1.00 0.00 N ATOM 546 CA GLU A 35 76.436 -14.185 -24.838 1.00 0.00 C ATOM 547 C GLU A 35 76.449 -12.812 -25.505 1.00 0.00 C ATOM 548 O GLU A 35 75.498 -12.430 -26.187 1.00 0.00 O ATOM 549 CB GLU A 35 76.671 -15.273 -25.892 1.00 0.00 C ATOM 550 CG GLU A 35 77.089 -16.581 -25.211 1.00 0.00 C ATOM 551 CD GLU A 35 77.373 -17.649 -26.262 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.423 -18.161 -26.830 1.00 0.00 O ATOM 553 OE2 GLU A 35 78.538 -17.939 -26.483 1.00 0.00 O ATOM 0 H GLU A 35 74.469 -14.921 -24.683 1.00 0.00 H new ATOM 0 HA GLU A 35 77.237 -14.226 -24.100 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.762 -15.430 -26.473 1.00 0.00 H new ATOM 0 HB3 GLU A 35 77.445 -14.953 -26.590 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.976 -16.415 -24.600 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.299 -16.920 -24.540 1.00 0.00 H new ATOM 560 N MET A 36 77.537 -12.076 -25.300 1.00 0.00 N ATOM 561 CA MET A 36 77.680 -10.743 -25.879 1.00 0.00 C ATOM 562 C MET A 36 78.797 -10.733 -26.920 1.00 0.00 C ATOM 563 O MET A 36 79.049 -9.717 -27.566 1.00 0.00 O ATOM 564 CB MET A 36 77.980 -9.728 -24.768 1.00 0.00 C ATOM 565 CG MET A 36 78.410 -8.389 -25.377 1.00 0.00 C ATOM 566 SD MET A 36 78.315 -7.092 -24.118 1.00 0.00 S ATOM 567 CE MET A 36 76.536 -6.787 -24.238 1.00 0.00 C ATOM 0 H MET A 36 78.332 -12.379 -24.738 1.00 0.00 H new ATOM 0 HA MET A 36 76.748 -10.468 -26.372 1.00 0.00 H new ATOM 0 HB2 MET A 36 77.096 -9.586 -24.147 1.00 0.00 H new ATOM 0 HB3 MET A 36 78.768 -10.110 -24.119 1.00 0.00 H new ATOM 0 HG2 MET A 36 79.427 -8.463 -25.762 1.00 0.00 H new ATOM 0 HG3 MET A 36 77.767 -8.139 -26.221 1.00 0.00 H new ATOM 0 HE1 MET A 36 76.363 -5.834 -24.738 1.00 0.00 H new ATOM 0 HE2 MET A 36 76.067 -7.588 -24.810 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.104 -6.755 -23.238 1.00 0.00 H new ATOM 577 N SER A 37 79.454 -11.880 -27.076 1.00 0.00 N ATOM 578 CA SER A 37 80.545 -12.018 -28.039 1.00 0.00 C ATOM 579 C SER A 37 81.878 -11.663 -27.388 1.00 0.00 C ATOM 580 O SER A 37 82.340 -10.525 -27.471 1.00 0.00 O ATOM 581 CB SER A 37 80.307 -11.119 -29.253 1.00 0.00 C ATOM 582 OG SER A 37 78.909 -11.000 -29.480 1.00 0.00 O ATOM 0 H SER A 37 79.250 -12.728 -26.548 1.00 0.00 H new ATOM 0 HA SER A 37 80.577 -13.056 -28.370 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.745 -10.135 -29.083 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.796 -11.538 -30.132 1.00 0.00 H new ATOM 0 HG SER A 37 78.588 -10.152 -29.108 1.00 0.00 H new ATOM 588 N LEU A 38 82.489 -12.650 -26.747 1.00 0.00 N ATOM 589 CA LEU A 38 83.773 -12.448 -26.088 1.00 0.00 C ATOM 590 C LEU A 38 84.446 -13.793 -25.828 1.00 0.00 C ATOM 591 O LEU A 38 84.717 -14.157 -24.683 1.00 0.00 O ATOM 592 CB LEU A 38 83.577 -11.698 -24.764 1.00 0.00 C ATOM 593 CG LEU A 38 82.195 -12.011 -24.187 1.00 0.00 C ATOM 594 CD1 LEU A 38 82.060 -13.518 -23.953 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.027 -11.273 -22.857 1.00 0.00 C ATOM 0 H LEU A 38 82.118 -13.597 -26.669 1.00 0.00 H new ATOM 0 HA LEU A 38 84.411 -11.852 -26.741 1.00 0.00 H new ATOM 0 HB2 LEU A 38 84.351 -11.988 -24.054 1.00 0.00 H new ATOM 0 HB3 LEU A 38 83.679 -10.625 -24.926 1.00 0.00 H new ATOM 0 HG LEU A 38 81.427 -11.687 -24.889 1.00 0.00 H new ATOM 0 HD11 LEU A 38 81.074 -13.736 -23.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 82.183 -14.046 -24.899 1.00 0.00 H new ATOM 0 HD13 LEU A 38 82.826 -13.847 -23.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.044 -11.492 -22.441 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.798 -11.601 -22.159 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.120 -10.200 -23.022 1.00 0.00 H new ATOM 607 N PRO A 39 84.710 -14.534 -26.868 1.00 0.00 N ATOM 608 CA PRO A 39 85.357 -15.871 -26.760 1.00 0.00 C ATOM 609 C PRO A 39 86.863 -15.773 -26.535 1.00 0.00 C ATOM 610 O PRO A 39 87.621 -15.483 -27.461 1.00 0.00 O ATOM 611 CB PRO A 39 85.051 -16.520 -28.109 1.00 0.00 C ATOM 612 CG PRO A 39 84.924 -15.384 -29.070 1.00 0.00 C ATOM 613 CD PRO A 39 84.421 -14.180 -28.268 1.00 0.00 C ATOM 0 HA PRO A 39 84.985 -16.438 -25.907 1.00 0.00 H new ATOM 0 HB2 PRO A 39 85.847 -17.201 -28.408 1.00 0.00 H new ATOM 0 HB3 PRO A 39 84.132 -17.104 -28.066 1.00 0.00 H new ATOM 0 HG2 PRO A 39 85.884 -15.164 -29.537 1.00 0.00 H new ATOM 0 HG3 PRO A 39 84.229 -15.632 -29.872 1.00 0.00 H new ATOM 0 HD2 PRO A 39 84.933 -13.264 -28.561 1.00 0.00 H new ATOM 0 HD3 PRO A 39 83.355 -14.014 -28.425 1.00 0.00 H new ATOM 621 N GLY A 40 87.292 -16.024 -25.303 1.00 0.00 N ATOM 622 CA GLY A 40 88.710 -15.971 -24.974 1.00 0.00 C ATOM 623 C GLY A 40 89.145 -17.253 -24.276 1.00 0.00 C ATOM 624 O GLY A 40 89.949 -18.020 -24.806 1.00 0.00 O ATOM 0 H GLY A 40 86.682 -16.264 -24.521 1.00 0.00 H new ATOM 0 HA2 GLY A 40 89.295 -15.828 -25.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 88.908 -15.114 -24.330 1.00 0.00 H new ATOM 628 N ARG A 41 88.594 -17.487 -23.089 1.00 0.00 N ATOM 629 CA ARG A 41 88.910 -18.685 -22.324 1.00 0.00 C ATOM 630 C ARG A 41 87.662 -19.161 -21.587 1.00 0.00 C ATOM 631 O ARG A 41 86.973 -18.364 -20.949 1.00 0.00 O ATOM 632 CB ARG A 41 90.026 -18.382 -21.323 1.00 0.00 C ATOM 633 CG ARG A 41 91.323 -18.095 -22.081 1.00 0.00 C ATOM 634 CD ARG A 41 92.454 -17.833 -21.086 1.00 0.00 C ATOM 635 NE ARG A 41 92.144 -16.673 -20.258 1.00 0.00 N ATOM 636 CZ ARG A 41 92.816 -16.425 -19.140 1.00 0.00 C ATOM 637 NH1 ARG A 41 93.770 -17.231 -18.759 1.00 0.00 N ATOM 638 NH2 ARG A 41 92.524 -15.375 -18.421 1.00 0.00 N ATOM 0 H ARG A 41 87.927 -16.862 -22.637 1.00 0.00 H new ATOM 0 HA ARG A 41 89.248 -19.469 -23.001 1.00 0.00 H new ATOM 0 HB2 ARG A 41 89.754 -17.525 -20.707 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.165 -19.227 -20.649 1.00 0.00 H new ATOM 0 HG2 ARG A 41 91.577 -18.941 -22.720 1.00 0.00 H new ATOM 0 HG3 ARG A 41 91.191 -17.231 -22.732 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.602 -18.709 -20.455 1.00 0.00 H new ATOM 0 HD3 ARG A 41 93.388 -17.666 -21.623 1.00 0.00 H new ATOM 0 HE ARG A 41 91.397 -16.040 -20.543 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.999 -18.051 -19.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.286 -17.040 -17.900 1.00 0.00 H new ATOM 0 HH21 ARG A 41 91.779 -14.745 -18.718 1.00 0.00 H new ATOM 0 HH22 ARG A 41 93.041 -15.185 -17.562 1.00 0.00 H new ATOM 652 N TRP A 42 87.362 -20.452 -21.680 1.00 0.00 N ATOM 653 CA TRP A 42 86.177 -20.984 -21.016 1.00 0.00 C ATOM 654 C TRP A 42 86.405 -22.402 -20.500 1.00 0.00 C ATOM 655 O TRP A 42 87.310 -23.106 -20.948 1.00 0.00 O ATOM 656 CB TRP A 42 84.998 -20.976 -21.990 1.00 0.00 C ATOM 657 CG TRP A 42 85.382 -21.696 -23.242 1.00 0.00 C ATOM 658 CD1 TRP A 42 86.280 -21.247 -24.148 1.00 0.00 C ATOM 659 CD2 TRP A 42 84.896 -22.974 -23.745 1.00 0.00 C ATOM 660 NE1 TRP A 42 86.380 -22.170 -25.174 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.546 -23.251 -24.972 1.00 0.00 C ATOM 662 CE3 TRP A 42 83.965 -23.913 -23.262 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.283 -24.416 -25.693 1.00 0.00 C ATOM 664 CZ3 TRP A 42 83.698 -25.087 -23.987 1.00 0.00 C ATOM 665 CH2 TRP A 42 84.355 -25.337 -25.200 1.00 0.00 C ATOM 0 H TRP A 42 87.911 -21.138 -22.198 1.00 0.00 H new ATOM 0 HA TRP A 42 85.960 -20.348 -20.158 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.132 -21.455 -21.533 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.710 -19.950 -22.221 1.00 0.00 H new ATOM 0 HD1 TRP A 42 86.829 -20.320 -24.082 1.00 0.00 H new ATOM 0 HE1 TRP A 42 86.995 -22.064 -25.981 1.00 0.00 H new ATOM 0 HE3 TRP A 42 83.453 -23.730 -22.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 85.793 -24.605 -26.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 82.982 -25.801 -23.607 1.00 0.00 H new ATOM 0 HH2 TRP A 42 84.144 -26.241 -25.753 1.00 0.00 H new ATOM 676 N LYS A 43 85.563 -22.807 -19.555 1.00 0.00 N ATOM 677 CA LYS A 43 85.650 -24.139 -18.969 1.00 0.00 C ATOM 678 C LYS A 43 84.279 -24.824 -19.017 1.00 0.00 C ATOM 679 O LYS A 43 83.344 -24.377 -18.351 1.00 0.00 O ATOM 680 CB LYS A 43 86.113 -24.034 -17.516 1.00 0.00 C ATOM 681 CG LYS A 43 87.625 -24.248 -17.448 1.00 0.00 C ATOM 682 CD LYS A 43 88.092 -24.150 -15.995 1.00 0.00 C ATOM 683 CE LYS A 43 88.922 -25.385 -15.642 1.00 0.00 C ATOM 684 NZ LYS A 43 88.029 -26.575 -15.559 1.00 0.00 N ATOM 0 H LYS A 43 84.811 -22.230 -19.178 1.00 0.00 H new ATOM 0 HA LYS A 43 86.367 -24.729 -19.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.854 -23.056 -17.110 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.602 -24.778 -16.905 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.883 -25.224 -17.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 88.136 -23.501 -18.056 1.00 0.00 H new ATOM 0 HD2 LYS A 43 88.686 -23.247 -15.853 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.232 -24.074 -15.330 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.692 -25.547 -16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 43 89.433 -25.233 -14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 88.496 -27.322 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 87.137 -26.308 -15.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 87.830 -26.927 -16.517 1.00 0.00 H new ATOM 698 N PRO A 44 84.121 -25.884 -19.781 1.00 0.00 N ATOM 699 CA PRO A 44 82.814 -26.596 -19.879 1.00 0.00 C ATOM 700 C PRO A 44 82.192 -26.852 -18.508 1.00 0.00 C ATOM 701 O PRO A 44 82.843 -27.381 -17.607 1.00 0.00 O ATOM 702 CB PRO A 44 83.165 -27.913 -20.571 1.00 0.00 C ATOM 703 CG PRO A 44 84.404 -27.637 -21.355 1.00 0.00 C ATOM 704 CD PRO A 44 85.150 -26.517 -20.627 1.00 0.00 C ATOM 0 HA PRO A 44 82.072 -26.010 -20.421 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.331 -28.706 -19.842 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.355 -28.242 -21.222 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.023 -28.531 -21.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.158 -27.338 -22.374 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.971 -26.910 -20.028 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.581 -25.804 -21.330 1.00 0.00 H new ATOM 712 N LYS A 45 80.926 -26.473 -18.362 1.00 0.00 N ATOM 713 CA LYS A 45 80.214 -26.662 -17.103 1.00 0.00 C ATOM 714 C LYS A 45 78.768 -27.075 -17.368 1.00 0.00 C ATOM 715 O LYS A 45 78.166 -26.646 -18.352 1.00 0.00 O ATOM 716 CB LYS A 45 80.239 -25.371 -16.284 1.00 0.00 C ATOM 717 CG LYS A 45 79.690 -25.647 -14.882 1.00 0.00 C ATOM 718 CD LYS A 45 79.695 -24.352 -14.068 1.00 0.00 C ATOM 719 CE LYS A 45 79.367 -24.666 -12.609 1.00 0.00 C ATOM 720 NZ LYS A 45 78.119 -25.477 -12.541 1.00 0.00 N ATOM 0 H LYS A 45 80.373 -26.034 -19.098 1.00 0.00 H new ATOM 0 HA LYS A 45 80.711 -27.452 -16.540 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.258 -24.989 -16.219 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.641 -24.604 -16.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.677 -26.043 -14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.297 -26.404 -14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.670 -23.870 -14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.964 -23.652 -14.474 1.00 0.00 H new ATOM 0 HE2 LYS A 45 80.192 -25.210 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.243 -23.741 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 77.720 -25.421 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 77.428 -25.109 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.336 -26.468 -12.768 1.00 0.00 H new ATOM 734 N MET A 46 78.211 -27.901 -16.487 1.00 0.00 N ATOM 735 CA MET A 46 76.833 -28.351 -16.649 1.00 0.00 C ATOM 736 C MET A 46 76.043 -28.127 -15.360 1.00 0.00 C ATOM 737 O MET A 46 76.583 -28.254 -14.262 1.00 0.00 O ATOM 738 CB MET A 46 76.815 -29.836 -17.014 1.00 0.00 C ATOM 739 CG MET A 46 77.562 -30.040 -18.333 1.00 0.00 C ATOM 740 SD MET A 46 77.463 -31.777 -18.828 1.00 0.00 S ATOM 741 CE MET A 46 78.565 -31.661 -20.259 1.00 0.00 C ATOM 0 H MET A 46 78.686 -28.269 -15.663 1.00 0.00 H new ATOM 0 HA MET A 46 76.368 -27.775 -17.449 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.283 -30.423 -16.223 1.00 0.00 H new ATOM 0 HB3 MET A 46 75.787 -30.187 -17.106 1.00 0.00 H new ATOM 0 HG2 MET A 46 77.131 -29.406 -19.108 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.605 -29.743 -18.221 1.00 0.00 H new ATOM 0 HE1 MET A 46 78.667 -32.643 -20.720 1.00 0.00 H new ATOM 0 HE2 MET A 46 78.148 -30.962 -20.984 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.544 -31.308 -19.936 1.00 0.00 H new ATOM 751 N ILE A 47 74.763 -27.790 -15.501 1.00 0.00 N ATOM 752 CA ILE A 47 73.918 -27.550 -14.334 1.00 0.00 C ATOM 753 C ILE A 47 72.620 -28.347 -14.430 1.00 0.00 C ATOM 754 O ILE A 47 72.060 -28.512 -15.516 1.00 0.00 O ATOM 755 CB ILE A 47 73.591 -26.060 -14.215 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.815 -25.815 -12.919 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.737 -25.626 -15.408 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.814 -24.319 -12.596 1.00 0.00 C ATOM 0 H ILE A 47 74.293 -27.678 -16.399 1.00 0.00 H new ATOM 0 HA ILE A 47 74.466 -27.874 -13.449 1.00 0.00 H new ATOM 0 HB ILE A 47 74.516 -25.484 -14.203 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.792 -26.176 -13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 47 73.269 -26.374 -12.100 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.505 -24.565 -15.322 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.286 -25.804 -16.333 1.00 0.00 H new ATOM 0 HG23 ILE A 47 71.811 -26.200 -15.420 1.00 0.00 H new ATOM 0 HD11 ILE A 47 72.261 -24.146 -11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.840 -23.972 -12.474 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.340 -23.771 -13.411 1.00 0.00 H new ATOM 770 N GLY A 48 72.143 -28.832 -13.288 1.00 0.00 N ATOM 771 CA GLY A 48 70.906 -29.602 -13.252 1.00 0.00 C ATOM 772 C GLY A 48 71.186 -31.099 -13.321 1.00 0.00 C ATOM 773 O GLY A 48 72.319 -31.521 -13.552 1.00 0.00 O ATOM 0 H GLY A 48 72.592 -28.706 -12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 70.359 -29.374 -12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 48 70.268 -29.310 -14.086 1.00 0.00 H new ATOM 777 N GLY A 49 70.142 -31.895 -13.117 1.00 0.00 N ATOM 778 CA GLY A 49 70.274 -33.347 -13.156 1.00 0.00 C ATOM 779 C GLY A 49 68.964 -33.991 -13.588 1.00 0.00 C ATOM 780 O GLY A 49 68.538 -33.846 -14.735 1.00 0.00 O ATOM 0 H GLY A 49 69.198 -31.561 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.069 -33.627 -13.847 1.00 0.00 H new ATOM 0 HA3 GLY A 49 70.561 -33.718 -12.172 1.00 0.00 H new ATOM 784 N ILE A 50 68.321 -34.696 -12.664 1.00 0.00 N ATOM 785 CA ILE A 50 67.054 -35.349 -12.964 1.00 0.00 C ATOM 786 C ILE A 50 66.032 -34.322 -13.439 1.00 0.00 C ATOM 787 O ILE A 50 65.230 -34.595 -14.332 1.00 0.00 O ATOM 788 CB ILE A 50 66.526 -36.064 -11.722 1.00 0.00 C ATOM 789 CG1 ILE A 50 67.533 -37.129 -11.281 1.00 0.00 C ATOM 790 CG2 ILE A 50 65.187 -36.730 -12.048 1.00 0.00 C ATOM 791 CD1 ILE A 50 67.060 -37.770 -9.976 1.00 0.00 C ATOM 0 H ILE A 50 68.653 -34.829 -11.709 1.00 0.00 H new ATOM 0 HA ILE A 50 67.218 -36.080 -13.756 1.00 0.00 H new ATOM 0 HB ILE A 50 66.386 -35.342 -10.918 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.637 -37.889 -12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.516 -36.679 -11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 50 64.809 -37.241 -11.162 1.00 0.00 H new ATOM 0 HG22 ILE A 50 64.470 -35.971 -12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 50 65.326 -37.453 -12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 50 67.777 -38.528 -9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 50 66.979 -37.005 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.086 -38.234 -10.131 1.00 0.00 H new ATOM 803 N GLY A 51 66.071 -33.138 -12.837 1.00 0.00 N ATOM 804 CA GLY A 51 65.148 -32.072 -13.209 1.00 0.00 C ATOM 805 C GLY A 51 65.711 -31.264 -14.370 1.00 0.00 C ATOM 806 O GLY A 51 65.220 -31.350 -15.496 1.00 0.00 O ATOM 0 H GLY A 51 66.727 -32.893 -12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 64.184 -32.498 -13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 51 64.973 -31.419 -12.354 1.00 0.00 H new ATOM 810 N GLY A 52 66.750 -30.485 -14.091 1.00 0.00 N ATOM 811 CA GLY A 52 67.383 -29.673 -15.122 1.00 0.00 C ATOM 812 C GLY A 52 68.403 -30.497 -15.898 1.00 0.00 C ATOM 813 O GLY A 52 68.560 -31.690 -15.646 1.00 0.00 O ATOM 0 H GLY A 52 67.169 -30.399 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.626 -29.285 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.873 -28.813 -14.666 1.00 0.00 H new ATOM 817 N PHE A 53 69.095 -29.848 -16.832 1.00 0.00 N ATOM 818 CA PHE A 53 70.109 -30.524 -17.640 1.00 0.00 C ATOM 819 C PHE A 53 70.454 -29.688 -18.873 1.00 0.00 C ATOM 820 O PHE A 53 70.012 -29.983 -19.985 1.00 0.00 O ATOM 821 CB PHE A 53 69.611 -31.912 -18.071 1.00 0.00 C ATOM 822 CG PHE A 53 70.359 -32.374 -19.300 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.758 -32.403 -19.300 1.00 0.00 C ATOM 824 CD2 PHE A 53 69.650 -32.776 -20.439 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.449 -32.834 -20.440 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.340 -33.207 -21.578 1.00 0.00 C ATOM 827 CZ PHE A 53 71.739 -33.235 -21.578 1.00 0.00 C ATOM 0 H PHE A 53 68.973 -28.859 -17.048 1.00 0.00 H new ATOM 0 HA PHE A 53 71.007 -30.644 -17.034 1.00 0.00 H new ATOM 0 HB2 PHE A 53 69.753 -32.626 -17.260 1.00 0.00 H new ATOM 0 HB3 PHE A 53 68.542 -31.875 -18.279 1.00 0.00 H new ATOM 0 HD1 PHE A 53 72.305 -32.093 -18.422 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.570 -32.753 -20.438 1.00 0.00 H new ATOM 0 HE1 PHE A 53 73.529 -32.857 -20.441 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.793 -33.518 -22.456 1.00 0.00 H new ATOM 0 HZ PHE A 53 72.272 -33.566 -22.457 1.00 0.00 H new ATOM 837 N ILE A 54 71.248 -28.642 -18.669 1.00 0.00 N ATOM 838 CA ILE A 54 71.654 -27.771 -19.764 1.00 0.00 C ATOM 839 C ILE A 54 73.166 -27.567 -19.723 1.00 0.00 C ATOM 840 O ILE A 54 73.771 -27.595 -18.650 1.00 0.00 O ATOM 841 CB ILE A 54 70.948 -26.419 -19.651 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.316 -25.552 -20.858 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.387 -25.717 -18.365 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.435 -24.303 -20.880 1.00 0.00 C ATOM 0 H ILE A 54 71.622 -28.378 -17.757 1.00 0.00 H new ATOM 0 HA ILE A 54 71.376 -28.237 -20.710 1.00 0.00 H new ATOM 0 HB ILE A 54 69.869 -26.573 -19.628 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.367 -25.267 -20.807 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.184 -26.119 -21.780 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.883 -24.754 -18.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.126 -26.335 -17.506 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.466 -25.561 -18.385 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.698 -23.687 -21.740 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.388 -24.597 -20.952 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.590 -23.733 -19.964 1.00 0.00 H new ATOM 856 N LYS A 55 73.777 -27.365 -20.887 1.00 0.00 N ATOM 857 CA LYS A 55 75.222 -27.167 -20.945 1.00 0.00 C ATOM 858 C LYS A 55 75.558 -25.682 -21.076 1.00 0.00 C ATOM 859 O LYS A 55 75.106 -25.014 -22.005 1.00 0.00 O ATOM 860 CB LYS A 55 75.803 -27.929 -22.137 1.00 0.00 C ATOM 861 CG LYS A 55 75.529 -29.426 -21.967 1.00 0.00 C ATOM 862 CD LYS A 55 76.218 -30.203 -23.090 1.00 0.00 C ATOM 863 CE LYS A 55 75.790 -31.671 -23.035 1.00 0.00 C ATOM 864 NZ LYS A 55 76.157 -32.248 -21.711 1.00 0.00 N ATOM 0 H LYS A 55 73.303 -27.334 -21.790 1.00 0.00 H new ATOM 0 HA LYS A 55 75.659 -27.545 -20.021 1.00 0.00 H new ATOM 0 HB2 LYS A 55 75.357 -27.570 -23.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 76.876 -27.750 -22.209 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.895 -29.766 -20.998 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.456 -29.614 -21.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.956 -29.773 -24.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 77.301 -30.125 -22.989 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.715 -31.753 -23.194 1.00 0.00 H new ATOM 0 HE3 LYS A 55 76.274 -32.232 -23.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.372 -32.831 -21.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.008 -32.837 -21.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 76.348 -31.479 -21.038 1.00 0.00 H new ATOM 878 N VAL A 56 76.352 -25.174 -20.138 1.00 0.00 N ATOM 879 CA VAL A 56 76.744 -23.767 -20.154 1.00 0.00 C ATOM 880 C VAL A 56 78.260 -23.635 -20.054 1.00 0.00 C ATOM 881 O VAL A 56 78.953 -24.595 -19.719 1.00 0.00 O ATOM 882 CB VAL A 56 76.091 -23.027 -18.986 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.574 -23.217 -19.041 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.627 -23.589 -17.667 1.00 0.00 C ATOM 0 H VAL A 56 76.735 -25.712 -19.361 1.00 0.00 H new ATOM 0 HA VAL A 56 76.410 -23.328 -21.094 1.00 0.00 H new ATOM 0 HB VAL A 56 76.325 -21.964 -19.053 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.111 -22.689 -18.208 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.191 -22.819 -19.981 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.338 -24.279 -18.974 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.163 -23.063 -16.832 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.392 -24.651 -17.602 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.708 -23.453 -17.626 1.00 0.00 H new ATOM 894 N ARG A 57 78.771 -22.443 -20.349 1.00 0.00 N ATOM 895 CA ARG A 57 80.210 -22.209 -20.290 1.00 0.00 C ATOM 896 C ARG A 57 80.558 -21.282 -19.128 1.00 0.00 C ATOM 897 O ARG A 57 79.855 -20.307 -18.865 1.00 0.00 O ATOM 898 CB ARG A 57 80.691 -21.592 -21.604 1.00 0.00 C ATOM 899 CG ARG A 57 80.469 -22.588 -22.743 1.00 0.00 C ATOM 900 CD ARG A 57 81.071 -22.034 -24.035 1.00 0.00 C ATOM 901 NE ARG A 57 80.500 -20.728 -24.341 1.00 0.00 N ATOM 902 CZ ARG A 57 81.080 -19.912 -25.215 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.187 -20.270 -25.805 1.00 0.00 N ATOM 904 NH2 ARG A 57 80.543 -18.753 -25.482 1.00 0.00 N ATOM 0 H ARG A 57 78.218 -21.633 -20.628 1.00 0.00 H new ATOM 0 HA ARG A 57 80.709 -23.165 -20.134 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.150 -20.667 -21.804 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.748 -21.334 -21.532 1.00 0.00 H new ATOM 0 HG2 ARG A 57 80.929 -23.545 -22.497 1.00 0.00 H new ATOM 0 HG3 ARG A 57 79.403 -22.771 -22.876 1.00 0.00 H new ATOM 0 HD2 ARG A 57 82.153 -21.950 -23.933 1.00 0.00 H new ATOM 0 HD3 ARG A 57 80.881 -22.723 -24.858 1.00 0.00 H new ATOM 0 HE ARG A 57 79.640 -20.435 -23.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 82.607 -21.176 -25.595 1.00 0.00 H new ATOM 0 HH12 ARG A 57 82.633 -19.644 -26.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 79.678 -18.473 -25.020 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.988 -18.127 -26.153 1.00 0.00 H new ATOM 918 N GLN A 58 81.643 -21.605 -18.429 1.00 0.00 N ATOM 919 CA GLN A 58 82.077 -20.809 -17.286 1.00 0.00 C ATOM 920 C GLN A 58 83.287 -19.945 -17.631 1.00 0.00 C ATOM 921 O GLN A 58 84.326 -20.457 -18.047 1.00 0.00 O ATOM 922 CB GLN A 58 82.436 -21.740 -16.123 1.00 0.00 C ATOM 923 CG GLN A 58 82.967 -20.919 -14.942 1.00 0.00 C ATOM 924 CD GLN A 58 83.232 -21.834 -13.751 1.00 0.00 C ATOM 925 OE1 GLN A 58 82.316 -22.144 -12.989 1.00 0.00 O ATOM 926 NE2 GLN A 58 84.438 -22.286 -13.543 1.00 0.00 N ATOM 0 H GLN A 58 82.236 -22.410 -18.634 1.00 0.00 H new ATOM 0 HA GLN A 58 81.257 -20.149 -17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.558 -22.308 -15.816 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.188 -22.462 -16.442 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.885 -20.405 -15.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.244 -20.151 -14.668 1.00 0.00 H new ATOM 0 HE21 GLN A 58 85.195 -22.028 -14.176 1.00 0.00 H new ATOM 0 HE22 GLN A 58 84.623 -22.897 -12.748 1.00 0.00 H new ATOM 935 N TYR A 59 83.154 -18.634 -17.438 1.00 0.00 N ATOM 936 CA TYR A 59 84.259 -17.722 -17.718 1.00 0.00 C ATOM 937 C TYR A 59 84.829 -17.184 -16.411 1.00 0.00 C ATOM 938 O TYR A 59 84.116 -16.574 -15.614 1.00 0.00 O ATOM 939 CB TYR A 59 83.780 -16.561 -18.590 1.00 0.00 C ATOM 940 CG TYR A 59 83.518 -17.056 -19.992 1.00 0.00 C ATOM 941 CD1 TYR A 59 82.286 -17.638 -20.311 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.509 -16.931 -20.973 1.00 0.00 C ATOM 943 CE1 TYR A 59 82.045 -18.097 -21.611 1.00 0.00 C ATOM 944 CE2 TYR A 59 84.268 -17.390 -22.273 1.00 0.00 C ATOM 945 CZ TYR A 59 83.036 -17.972 -22.593 1.00 0.00 C ATOM 946 OH TYR A 59 82.799 -18.423 -23.875 1.00 0.00 O ATOM 0 H TYR A 59 82.305 -18.185 -17.094 1.00 0.00 H new ATOM 0 HA TYR A 59 85.037 -18.267 -18.253 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.872 -16.128 -18.170 1.00 0.00 H new ATOM 0 HB3 TYR A 59 84.531 -15.771 -18.607 1.00 0.00 H new ATOM 0 HD1 TYR A 59 81.521 -17.733 -19.554 1.00 0.00 H new ATOM 0 HD2 TYR A 59 85.459 -16.481 -20.727 1.00 0.00 H new ATOM 0 HE1 TYR A 59 81.095 -18.548 -21.857 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.033 -17.295 -23.029 1.00 0.00 H new ATOM 0 HH TYR A 59 83.589 -18.259 -24.431 1.00 0.00 H new ATOM 956 N ASP A 60 86.118 -17.426 -16.191 1.00 0.00 N ATOM 957 CA ASP A 60 86.774 -16.974 -14.969 1.00 0.00 C ATOM 958 C ASP A 60 87.750 -15.836 -15.253 1.00 0.00 C ATOM 959 O ASP A 60 88.253 -15.698 -16.367 1.00 0.00 O ATOM 960 CB ASP A 60 87.527 -18.139 -14.326 1.00 0.00 C ATOM 961 CG ASP A 60 86.542 -19.217 -13.885 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.359 -18.924 -13.830 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.985 -20.320 -13.608 1.00 0.00 O ATOM 0 H ASP A 60 86.725 -17.929 -16.838 1.00 0.00 H new ATOM 0 HA ASP A 60 86.005 -16.607 -14.289 1.00 0.00 H new ATOM 0 HB2 ASP A 60 88.242 -18.556 -15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 88.099 -17.784 -13.468 1.00 0.00 H new ATOM 968 N GLN A 61 88.011 -15.028 -14.229 1.00 0.00 N ATOM 969 CA GLN A 61 88.929 -13.898 -14.353 1.00 0.00 C ATOM 970 C GLN A 61 88.260 -12.736 -15.081 1.00 0.00 C ATOM 971 O GLN A 61 88.929 -11.939 -15.739 1.00 0.00 O ATOM 972 CB GLN A 61 90.188 -14.319 -15.118 1.00 0.00 C ATOM 973 CG GLN A 61 91.346 -13.389 -14.746 1.00 0.00 C ATOM 974 CD GLN A 61 91.879 -13.746 -13.363 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.119 -14.918 -13.073 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.080 -12.800 -12.485 1.00 0.00 N ATOM 0 H GLN A 61 87.599 -15.135 -13.302 1.00 0.00 H new ATOM 0 HA GLN A 61 89.205 -13.575 -13.349 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.445 -15.351 -14.878 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.005 -14.278 -16.192 1.00 0.00 H new ATOM 0 HG2 GLN A 61 92.143 -13.474 -15.485 1.00 0.00 H new ATOM 0 HG3 GLN A 61 91.009 -12.352 -14.758 1.00 0.00 H new ATOM 0 HE21 GLN A 61 91.881 -11.829 -12.727 1.00 0.00 H new ATOM 0 HE22 GLN A 61 92.436 -13.032 -11.558 1.00 0.00 H new ATOM 985 N ILE A 62 86.938 -12.648 -14.966 1.00 0.00 N ATOM 986 CA ILE A 62 86.197 -11.581 -15.626 1.00 0.00 C ATOM 987 C ILE A 62 85.683 -10.568 -14.607 1.00 0.00 C ATOM 988 O ILE A 62 85.184 -10.937 -13.541 1.00 0.00 O ATOM 989 CB ILE A 62 85.013 -12.168 -16.398 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.500 -13.294 -17.318 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.358 -11.072 -17.240 1.00 0.00 C ATOM 992 CD1 ILE A 62 86.683 -12.804 -18.155 1.00 0.00 C ATOM 0 H ILE A 62 86.364 -13.296 -14.427 1.00 0.00 H new ATOM 0 HA ILE A 62 86.871 -11.075 -16.317 1.00 0.00 H new ATOM 0 HB ILE A 62 84.287 -12.569 -15.690 1.00 0.00 H new ATOM 0 HG12 ILE A 62 85.796 -14.159 -16.724 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.690 -13.618 -17.971 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.515 -11.490 -17.790 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.005 -10.274 -16.587 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.086 -10.670 -17.944 1.00 0.00 H new ATOM 0 HD11 ILE A 62 87.025 -13.608 -18.807 1.00 0.00 H new ATOM 0 HD12 ILE A 62 86.372 -11.953 -18.761 1.00 0.00 H new ATOM 0 HD13 ILE A 62 87.496 -12.502 -17.494 1.00 0.00 H new ATOM 1004 N ILE A 63 85.815 -9.288 -14.947 1.00 0.00 N ATOM 1005 CA ILE A 63 85.369 -8.222 -14.070 1.00 0.00 C ATOM 1006 C ILE A 63 84.255 -7.415 -14.731 1.00 0.00 C ATOM 1007 O ILE A 63 84.229 -7.260 -15.952 1.00 0.00 O ATOM 1008 CB ILE A 63 86.553 -7.310 -13.749 1.00 0.00 C ATOM 1009 CG1 ILE A 63 87.036 -6.614 -15.027 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.695 -8.141 -13.165 1.00 0.00 C ATOM 1011 CD1 ILE A 63 88.212 -5.693 -14.692 1.00 0.00 C ATOM 0 H ILE A 63 86.227 -8.970 -15.824 1.00 0.00 H new ATOM 0 HA ILE A 63 84.978 -8.656 -13.150 1.00 0.00 H new ATOM 0 HB ILE A 63 86.238 -6.559 -13.025 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.340 -7.356 -15.765 1.00 0.00 H new ATOM 0 HG13 ILE A 63 86.223 -6.038 -15.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.539 -7.490 -12.936 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.358 -8.632 -12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.004 -8.895 -13.889 1.00 0.00 H new ATOM 0 HD11 ILE A 63 88.556 -5.198 -15.600 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.892 -4.943 -13.968 1.00 0.00 H new ATOM 0 HD13 ILE A 63 89.026 -6.282 -14.269 1.00 0.00 H new ATOM 1023 N ILE A 64 83.339 -6.901 -13.919 1.00 0.00 N ATOM 1024 CA ILE A 64 82.229 -6.110 -14.438 1.00 0.00 C ATOM 1025 C ILE A 64 82.021 -4.856 -13.594 1.00 0.00 C ATOM 1026 O ILE A 64 82.471 -4.787 -12.451 1.00 0.00 O ATOM 1027 CB ILE A 64 80.950 -6.953 -14.448 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.541 -7.296 -13.011 1.00 0.00 C ATOM 1029 CG2 ILE A 64 81.201 -8.248 -15.224 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.246 -8.111 -13.031 1.00 0.00 C ATOM 0 H ILE A 64 83.342 -7.016 -12.906 1.00 0.00 H new ATOM 0 HA ILE A 64 82.466 -5.804 -15.457 1.00 0.00 H new ATOM 0 HB ILE A 64 80.151 -6.386 -14.925 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.333 -7.863 -12.522 1.00 0.00 H new ATOM 0 HG13 ILE A 64 80.400 -6.382 -12.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.292 -8.849 -15.232 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.487 -8.009 -16.248 1.00 0.00 H new ATOM 0 HG23 ILE A 64 82.003 -8.810 -14.745 1.00 0.00 H new ATOM 0 HD11 ILE A 64 78.954 -8.356 -12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.456 -7.528 -13.504 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.404 -9.031 -13.593 1.00 0.00 H new ATOM 1042 N GLU A 65 81.324 -3.871 -14.156 1.00 0.00 N ATOM 1043 CA GLU A 65 81.057 -2.637 -13.427 1.00 0.00 C ATOM 1044 C GLU A 65 79.554 -2.453 -13.235 1.00 0.00 C ATOM 1045 O GLU A 65 78.785 -2.507 -14.196 1.00 0.00 O ATOM 1046 CB GLU A 65 81.633 -1.439 -14.185 1.00 0.00 C ATOM 1047 CG GLU A 65 83.152 -1.586 -14.298 1.00 0.00 C ATOM 1048 CD GLU A 65 83.508 -2.514 -15.455 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.606 -2.892 -16.186 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.676 -2.835 -15.592 1.00 0.00 O ATOM 0 H GLU A 65 80.939 -3.903 -15.100 1.00 0.00 H new ATOM 0 HA GLU A 65 81.535 -2.701 -12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.189 -1.376 -15.178 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.385 -0.513 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.609 -0.608 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.556 -1.983 -13.367 1.00 0.00 H new ATOM 1057 N ILE A 66 79.146 -2.232 -11.991 1.00 0.00 N ATOM 1058 CA ILE A 66 77.734 -2.036 -11.683 1.00 0.00 C ATOM 1059 C ILE A 66 77.534 -0.749 -10.891 1.00 0.00 C ATOM 1060 O ILE A 66 78.186 -0.534 -9.869 1.00 0.00 O ATOM 1061 CB ILE A 66 77.202 -3.222 -10.879 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.430 -4.514 -11.667 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.705 -3.038 -10.627 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.008 -5.713 -10.816 1.00 0.00 C ATOM 0 H ILE A 66 79.768 -2.184 -11.184 1.00 0.00 H new ATOM 0 HA ILE A 66 77.184 -1.962 -12.621 1.00 0.00 H new ATOM 0 HB ILE A 66 77.727 -3.279 -9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.857 -4.493 -12.594 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.481 -4.603 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.326 -3.884 -10.054 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.541 -2.117 -10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.180 -2.981 -11.580 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.171 -6.633 -11.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.601 -5.737 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.952 -5.625 -10.562 1.00 0.00 H new ATOM 1076 N ALA A 67 76.631 0.104 -11.363 1.00 0.00 N ATOM 1077 CA ALA A 67 76.365 1.365 -10.681 1.00 0.00 C ATOM 1078 C ALA A 67 77.619 2.231 -10.654 1.00 0.00 C ATOM 1079 O ALA A 67 77.678 3.276 -11.303 1.00 0.00 O ATOM 1080 CB ALA A 67 75.898 1.093 -9.249 1.00 0.00 C ATOM 0 H ALA A 67 76.077 -0.052 -12.205 1.00 0.00 H new ATOM 0 HA ALA A 67 75.582 1.895 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.701 2.039 -8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.986 0.497 -9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.674 0.549 -8.710 1.00 0.00 H new ATOM 1086 N GLY A 68 78.621 1.789 -9.901 1.00 0.00 N ATOM 1087 CA GLY A 68 79.872 2.534 -9.802 1.00 0.00 C ATOM 1088 C GLY A 68 80.933 1.743 -9.040 1.00 0.00 C ATOM 1089 O GLY A 68 81.897 2.316 -8.534 1.00 0.00 O ATOM 0 H GLY A 68 78.593 0.928 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.238 2.767 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.693 3.484 -9.298 1.00 0.00 H new ATOM 1093 N HIS A 69 80.755 0.427 -8.961 1.00 0.00 N ATOM 1094 CA HIS A 69 81.712 -0.417 -8.255 1.00 0.00 C ATOM 1095 C HIS A 69 82.160 -1.576 -9.141 1.00 0.00 C ATOM 1096 O HIS A 69 81.356 -2.166 -9.862 1.00 0.00 O ATOM 1097 CB HIS A 69 81.079 -0.963 -6.974 1.00 0.00 C ATOM 1098 CG HIS A 69 80.734 0.180 -6.059 1.00 0.00 C ATOM 1099 ND1 HIS A 69 79.489 0.787 -6.073 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.462 0.837 -5.096 1.00 0.00 C ATOM 1101 CE1 HIS A 69 79.503 1.764 -5.147 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.681 1.836 -4.523 1.00 0.00 N ATOM 0 H HIS A 69 79.966 -0.073 -9.372 1.00 0.00 H new ATOM 0 HA HIS A 69 82.583 0.186 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.182 -1.534 -7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.769 -1.645 -6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 69 82.483 0.612 -4.826 1.00 0.00 H new ATOM 0 HE1 HIS A 69 78.664 2.410 -4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 69 80.951 2.485 -3.784 1.00 0.00 H new ATOM 1111 N LYS A 70 83.449 -1.897 -9.080 1.00 0.00 N ATOM 1112 CA LYS A 70 83.995 -2.988 -9.880 1.00 0.00 C ATOM 1113 C LYS A 70 84.124 -4.258 -9.041 1.00 0.00 C ATOM 1114 O LYS A 70 84.417 -4.196 -7.847 1.00 0.00 O ATOM 1115 CB LYS A 70 85.367 -2.591 -10.430 1.00 0.00 C ATOM 1116 CG LYS A 70 86.363 -2.465 -9.274 1.00 0.00 C ATOM 1117 CD LYS A 70 87.695 -1.934 -9.806 1.00 0.00 C ATOM 1118 CE LYS A 70 88.769 -2.077 -8.725 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.152 -1.861 -7.385 1.00 0.00 N ATOM 0 H LYS A 70 84.131 -1.421 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 70 83.314 -3.185 -10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.715 -3.338 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.296 -1.645 -10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.969 -1.792 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 86.509 -3.435 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.988 -2.485 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.592 -0.888 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 70 89.221 -3.068 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 89.567 -1.354 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.900 -1.704 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 87.529 -1.029 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.596 -2.699 -7.120 1.00 0.00 H new ATOM 1133 N ALA A 71 83.902 -5.408 -9.673 1.00 0.00 N ATOM 1134 CA ALA A 71 83.997 -6.684 -8.971 1.00 0.00 C ATOM 1135 C ALA A 71 84.501 -7.780 -9.904 1.00 0.00 C ATOM 1136 O ALA A 71 84.262 -7.742 -11.111 1.00 0.00 O ATOM 1137 CB ALA A 71 82.627 -7.074 -8.415 1.00 0.00 C ATOM 0 H ALA A 71 83.657 -5.482 -10.660 1.00 0.00 H new ATOM 0 HA ALA A 71 84.706 -6.572 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.704 -8.027 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.284 -6.306 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.915 -7.167 -9.235 1.00 0.00 H new ATOM 1143 N ILE A 72 85.196 -8.758 -9.332 1.00 0.00 N ATOM 1144 CA ILE A 72 85.730 -9.869 -10.115 1.00 0.00 C ATOM 1145 C ILE A 72 85.244 -11.200 -9.553 1.00 0.00 C ATOM 1146 O ILE A 72 85.228 -11.401 -8.339 1.00 0.00 O ATOM 1147 CB ILE A 72 87.262 -9.841 -10.102 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.797 -11.044 -10.884 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.776 -9.906 -8.662 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.286 -10.845 -11.172 1.00 0.00 C ATOM 0 H ILE A 72 85.402 -8.805 -8.334 1.00 0.00 H new ATOM 0 HA ILE A 72 85.376 -9.763 -11.140 1.00 0.00 H new ATOM 0 HB ILE A 72 87.606 -8.915 -10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.646 -11.959 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.247 -11.157 -11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.866 -9.886 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.398 -9.051 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.431 -10.828 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.667 -11.701 -11.729 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.425 -9.939 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.829 -10.753 -10.232 1.00 0.00 H new ATOM 1162 N GLY A 73 84.846 -12.109 -10.439 1.00 0.00 N ATOM 1163 CA GLY A 73 84.366 -13.413 -9.995 1.00 0.00 C ATOM 1164 C GLY A 73 83.939 -14.288 -11.168 1.00 0.00 C ATOM 1165 O GLY A 73 84.069 -13.901 -12.330 1.00 0.00 O ATOM 0 H GLY A 73 84.846 -11.971 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.152 -13.917 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.524 -13.279 -9.316 1.00 0.00 H new ATOM 1169 N THR A 74 83.425 -15.471 -10.844 1.00 0.00 N ATOM 1170 CA THR A 74 82.973 -16.411 -11.864 1.00 0.00 C ATOM 1171 C THR A 74 81.675 -15.920 -12.496 1.00 0.00 C ATOM 1172 O THR A 74 80.765 -15.473 -11.797 1.00 0.00 O ATOM 1173 CB THR A 74 82.755 -17.789 -11.229 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.932 -18.177 -10.535 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.439 -18.823 -12.312 1.00 0.00 C ATOM 0 H THR A 74 83.311 -15.801 -9.885 1.00 0.00 H new ATOM 0 HA THR A 74 83.733 -16.486 -12.641 1.00 0.00 H new ATOM 0 HB THR A 74 81.917 -17.734 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.796 -19.057 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.286 -19.798 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.535 -18.528 -12.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.271 -18.880 -13.014 1.00 0.00 H new ATOM 1183 N VAL A 75 81.594 -16.006 -13.820 1.00 0.00 N ATOM 1184 CA VAL A 75 80.395 -15.568 -14.525 1.00 0.00 C ATOM 1185 C VAL A 75 79.934 -16.620 -15.531 1.00 0.00 C ATOM 1186 O VAL A 75 80.504 -16.746 -16.617 1.00 0.00 O ATOM 1187 CB VAL A 75 80.679 -14.256 -15.260 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.535 -13.952 -16.228 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.800 -13.117 -14.245 1.00 0.00 C ATOM 0 H VAL A 75 82.334 -16.370 -14.420 1.00 0.00 H new ATOM 0 HA VAL A 75 79.604 -15.420 -13.790 1.00 0.00 H new ATOM 0 HB VAL A 75 81.611 -14.350 -15.817 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.739 -13.017 -16.750 1.00 0.00 H new ATOM 0 HG12 VAL A 75 79.447 -14.761 -16.953 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.602 -13.860 -15.672 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.002 -12.183 -14.769 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.868 -13.026 -13.687 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.616 -13.330 -13.555 1.00 0.00 H new ATOM 1199 N LEU A 76 78.920 -17.394 -15.151 1.00 0.00 N ATOM 1200 CA LEU A 76 78.413 -18.446 -16.024 1.00 0.00 C ATOM 1201 C LEU A 76 77.619 -17.848 -17.181 1.00 0.00 C ATOM 1202 O LEU A 76 76.730 -17.021 -16.979 1.00 0.00 O ATOM 1203 CB LEU A 76 77.504 -19.389 -15.231 1.00 0.00 C ATOM 1204 CG LEU A 76 78.167 -19.748 -13.902 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.419 -20.913 -13.252 1.00 0.00 C ATOM 1206 CD2 LEU A 76 79.622 -20.145 -14.145 1.00 0.00 C ATOM 0 H LEU A 76 78.439 -17.313 -14.255 1.00 0.00 H new ATOM 0 HA LEU A 76 79.264 -18.999 -16.422 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.540 -18.914 -15.051 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.311 -20.293 -15.808 1.00 0.00 H new ATOM 0 HG LEU A 76 78.135 -18.884 -13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.894 -21.167 -12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.383 -20.626 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.446 -21.778 -13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 76 80.093 -20.401 -13.196 1.00 0.00 H new ATOM 0 HD22 LEU A 76 79.658 -21.007 -14.811 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.155 -19.311 -14.602 1.00 0.00 H new ATOM 1218 N VAL A 77 77.949 -18.276 -18.395 1.00 0.00 N ATOM 1219 CA VAL A 77 77.264 -17.782 -19.583 1.00 0.00 C ATOM 1220 C VAL A 77 76.301 -18.834 -20.120 1.00 0.00 C ATOM 1221 O VAL A 77 76.649 -20.010 -20.232 1.00 0.00 O ATOM 1222 CB VAL A 77 78.281 -17.422 -20.667 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.549 -16.870 -21.891 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.242 -16.359 -20.130 1.00 0.00 C ATOM 0 H VAL A 77 78.682 -18.960 -18.581 1.00 0.00 H new ATOM 0 HA VAL A 77 76.700 -16.891 -19.307 1.00 0.00 H new ATOM 0 HB VAL A 77 78.841 -18.313 -20.949 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.274 -16.613 -22.663 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.862 -17.624 -22.275 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.989 -15.979 -21.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.968 -16.101 -20.902 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.680 -15.469 -19.849 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.764 -16.749 -19.256 1.00 0.00 H new ATOM 1234 N GLY A 78 75.087 -18.403 -20.451 1.00 0.00 N ATOM 1235 CA GLY A 78 74.081 -19.318 -20.975 1.00 0.00 C ATOM 1236 C GLY A 78 73.556 -18.836 -22.325 1.00 0.00 C ATOM 1237 O GLY A 78 73.691 -17.664 -22.674 1.00 0.00 O ATOM 0 H GLY A 78 74.779 -17.434 -20.366 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.510 -20.314 -21.082 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.256 -19.401 -20.268 1.00 0.00 H new ATOM 1241 N PRO A 79 72.970 -19.723 -23.082 1.00 0.00 N ATOM 1242 CA PRO A 79 72.412 -19.404 -24.432 1.00 0.00 C ATOM 1243 C PRO A 79 71.208 -18.462 -24.372 1.00 0.00 C ATOM 1244 O PRO A 79 70.863 -17.820 -25.364 1.00 0.00 O ATOM 1245 CB PRO A 79 72.003 -20.769 -24.993 1.00 0.00 C ATOM 1246 CG PRO A 79 71.821 -21.653 -23.804 1.00 0.00 C ATOM 1247 CD PRO A 79 72.774 -21.137 -22.729 1.00 0.00 C ATOM 0 HA PRO A 79 73.142 -18.880 -25.049 1.00 0.00 H new ATOM 0 HB2 PRO A 79 71.082 -20.695 -25.571 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.768 -21.163 -25.661 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.789 -21.624 -23.454 1.00 0.00 H new ATOM 0 HG3 PRO A 79 72.044 -22.690 -24.054 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.348 -21.245 -21.732 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.716 -21.685 -22.734 1.00 0.00 H new ATOM 1255 N THR A 80 70.562 -18.396 -23.212 1.00 0.00 N ATOM 1256 CA THR A 80 69.388 -17.543 -23.047 1.00 0.00 C ATOM 1257 C THR A 80 69.730 -16.071 -23.326 1.00 0.00 C ATOM 1258 O THR A 80 70.766 -15.581 -22.879 1.00 0.00 O ATOM 1259 CB THR A 80 68.855 -17.677 -21.619 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.103 -16.519 -21.286 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.027 -17.824 -20.646 1.00 0.00 C ATOM 0 H THR A 80 70.828 -18.918 -22.377 1.00 0.00 H new ATOM 0 HA THR A 80 68.630 -17.863 -23.761 1.00 0.00 H new ATOM 0 HB THR A 80 68.217 -18.558 -21.550 1.00 0.00 H new ATOM 0 HG1 THR A 80 67.759 -16.604 -20.372 1.00 0.00 H new ATOM 0 HG21 THR A 80 69.646 -17.919 -19.629 1.00 0.00 H new ATOM 0 HG22 THR A 80 70.603 -18.713 -20.902 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.668 -16.945 -20.712 1.00 0.00 H new ATOM 1269 N PRO A 81 68.885 -15.353 -24.041 1.00 0.00 N ATOM 1270 CA PRO A 81 69.123 -13.912 -24.353 1.00 0.00 C ATOM 1271 C PRO A 81 68.784 -13.003 -23.171 1.00 0.00 C ATOM 1272 O PRO A 81 68.341 -11.870 -23.357 1.00 0.00 O ATOM 1273 CB PRO A 81 68.178 -13.644 -25.521 1.00 0.00 C ATOM 1274 CG PRO A 81 67.037 -14.581 -25.312 1.00 0.00 C ATOM 1275 CD PRO A 81 67.616 -15.824 -24.633 1.00 0.00 C ATOM 0 HA PRO A 81 70.170 -13.708 -24.580 1.00 0.00 H new ATOM 0 HB2 PRO A 81 67.842 -12.607 -25.528 1.00 0.00 H new ATOM 0 HB3 PRO A 81 68.669 -13.826 -26.477 1.00 0.00 H new ATOM 0 HG2 PRO A 81 66.267 -14.123 -24.691 1.00 0.00 H new ATOM 0 HG3 PRO A 81 66.569 -14.840 -26.261 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.941 -16.213 -23.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 67.785 -16.628 -25.350 1.00 0.00 H new ATOM 1283 N VAL A 82 68.973 -13.514 -21.957 1.00 0.00 N ATOM 1284 CA VAL A 82 68.658 -12.742 -20.758 1.00 0.00 C ATOM 1285 C VAL A 82 69.864 -12.627 -19.826 1.00 0.00 C ATOM 1286 O VAL A 82 70.751 -13.486 -19.819 1.00 0.00 O ATOM 1287 CB VAL A 82 67.494 -13.398 -20.014 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.067 -12.508 -18.845 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.314 -13.578 -20.974 1.00 0.00 C ATOM 0 H VAL A 82 69.339 -14.449 -21.778 1.00 0.00 H new ATOM 0 HA VAL A 82 68.380 -11.736 -21.072 1.00 0.00 H new ATOM 0 HB VAL A 82 67.808 -14.370 -19.634 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.237 -12.976 -18.315 1.00 0.00 H new ATOM 0 HG12 VAL A 82 67.906 -12.377 -18.162 1.00 0.00 H new ATOM 0 HG13 VAL A 82 66.753 -11.535 -19.224 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.483 -14.046 -20.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.002 -12.605 -21.353 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.617 -14.212 -21.808 1.00 0.00 H new ATOM 1299 N ASN A 83 69.887 -11.552 -19.040 1.00 0.00 N ATOM 1300 CA ASN A 83 70.976 -11.326 -18.097 1.00 0.00 C ATOM 1301 C ASN A 83 70.428 -11.236 -16.674 1.00 0.00 C ATOM 1302 O ASN A 83 69.703 -10.301 -16.337 1.00 0.00 O ATOM 1303 CB ASN A 83 71.719 -10.034 -18.444 1.00 0.00 C ATOM 1304 CG ASN A 83 71.868 -9.909 -19.954 1.00 0.00 C ATOM 1305 OD1 ASN A 83 71.626 -8.842 -20.516 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.251 -10.944 -20.650 1.00 0.00 N ATOM 0 H ASN A 83 69.168 -10.829 -19.038 1.00 0.00 H new ATOM 0 HA ASN A 83 71.670 -12.164 -18.162 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.175 -9.175 -18.052 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.701 -10.032 -17.972 1.00 0.00 H new ATOM 0 HD21 ASN A 83 72.350 -10.869 -21.662 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.451 -11.828 -20.182 1.00 0.00 H new ATOM 1313 N ILE A 84 70.780 -12.213 -15.845 1.00 0.00 N ATOM 1314 CA ILE A 84 70.316 -12.231 -14.462 1.00 0.00 C ATOM 1315 C ILE A 84 71.484 -12.431 -13.502 1.00 0.00 C ATOM 1316 O ILE A 84 72.386 -13.226 -13.767 1.00 0.00 O ATOM 1317 CB ILE A 84 69.292 -13.352 -14.268 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.792 -13.339 -12.821 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.945 -14.701 -14.569 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.506 -14.160 -12.720 1.00 0.00 C ATOM 0 H ILE A 84 71.380 -12.997 -16.103 1.00 0.00 H new ATOM 0 HA ILE A 84 69.848 -11.271 -14.246 1.00 0.00 H new ATOM 0 HB ILE A 84 68.453 -13.198 -14.946 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.553 -13.751 -12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.609 -12.314 -12.497 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.214 -15.498 -14.430 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.302 -14.711 -15.599 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.785 -14.857 -13.893 1.00 0.00 H new ATOM 0 HD11 ILE A 84 67.149 -14.152 -11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.746 -13.728 -13.371 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.705 -15.187 -13.027 1.00 0.00 H new ATOM 1332 N ILE A 85 71.464 -11.707 -12.386 1.00 0.00 N ATOM 1333 CA ILE A 85 72.530 -11.821 -11.397 1.00 0.00 C ATOM 1334 C ILE A 85 71.979 -12.313 -10.060 1.00 0.00 C ATOM 1335 O ILE A 85 70.872 -11.951 -9.661 1.00 0.00 O ATOM 1336 CB ILE A 85 73.218 -10.464 -11.218 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.225 -9.449 -10.638 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.717 -9.966 -12.576 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.944 -8.123 -10.378 1.00 0.00 C ATOM 0 H ILE A 85 70.729 -11.042 -12.146 1.00 0.00 H new ATOM 0 HA ILE A 85 73.259 -12.549 -11.753 1.00 0.00 H new ATOM 0 HB ILE A 85 74.059 -10.575 -10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 85 71.398 -9.297 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.798 -9.831 -9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 85 74.207 -9.000 -12.452 1.00 0.00 H new ATOM 0 HG22 ILE A 85 74.427 -10.683 -12.988 1.00 0.00 H new ATOM 0 HG23 ILE A 85 72.873 -9.859 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 85 72.239 -7.401 -9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 85 73.756 -8.282 -9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.350 -7.740 -11.314 1.00 0.00 H new ATOM 1351 N GLY A 86 72.761 -13.147 -9.377 1.00 0.00 N ATOM 1352 CA GLY A 86 72.343 -13.693 -8.090 1.00 0.00 C ATOM 1353 C GLY A 86 72.973 -12.934 -6.925 1.00 0.00 C ATOM 1354 O GLY A 86 73.666 -11.935 -7.119 1.00 0.00 O ATOM 0 H GLY A 86 73.681 -13.457 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 71.257 -13.647 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.622 -14.745 -8.033 1.00 0.00 H new ATOM 1358 N ARG A 87 72.725 -13.427 -5.715 1.00 0.00 N ATOM 1359 CA ARG A 87 73.264 -12.811 -4.506 1.00 0.00 C ATOM 1360 C ARG A 87 74.790 -12.892 -4.483 1.00 0.00 C ATOM 1361 O ARG A 87 75.444 -12.170 -3.734 1.00 0.00 O ATOM 1362 CB ARG A 87 72.704 -13.516 -3.268 1.00 0.00 C ATOM 1363 CG ARG A 87 71.176 -13.399 -3.235 1.00 0.00 C ATOM 1364 CD ARG A 87 70.766 -11.988 -2.800 1.00 0.00 C ATOM 1365 NE ARG A 87 69.345 -11.953 -2.474 1.00 0.00 N ATOM 1366 CZ ARG A 87 68.824 -10.954 -1.769 1.00 0.00 C ATOM 1367 NH1 ARG A 87 69.588 -9.978 -1.358 1.00 0.00 N ATOM 1368 NH2 ARG A 87 67.550 -10.948 -1.485 1.00 0.00 N ATOM 0 H ARG A 87 72.152 -14.254 -5.545 1.00 0.00 H new ATOM 0 HA ARG A 87 72.968 -11.762 -4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.995 -14.566 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 87 73.129 -13.075 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.765 -13.618 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 87 70.762 -14.135 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.353 -11.682 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.981 -11.277 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 87 68.740 -12.709 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 87 70.584 -9.983 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 87 69.189 -9.211 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 87 66.953 -11.711 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 87 67.152 -10.181 -0.944 1.00 0.00 H new ATOM 1382 N ASN A 88 75.348 -13.781 -5.297 1.00 0.00 N ATOM 1383 CA ASN A 88 76.799 -13.952 -5.345 1.00 0.00 C ATOM 1384 C ASN A 88 77.503 -12.626 -5.625 1.00 0.00 C ATOM 1385 O ASN A 88 78.506 -12.302 -4.991 1.00 0.00 O ATOM 1386 CB ASN A 88 77.164 -14.961 -6.435 1.00 0.00 C ATOM 1387 CG ASN A 88 78.633 -15.356 -6.315 1.00 0.00 C ATOM 1388 OD1 ASN A 88 79.317 -14.932 -5.384 1.00 0.00 O ATOM 1389 ND2 ASN A 88 79.160 -16.145 -7.211 1.00 0.00 N ATOM 0 H ASN A 88 74.826 -14.390 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 88 77.129 -14.319 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.533 -15.846 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.975 -14.530 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 88 80.142 -16.412 -7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.590 -16.495 -7.981 1.00 0.00 H new ATOM 1396 N LEU A 89 76.974 -11.863 -6.577 1.00 0.00 N ATOM 1397 CA LEU A 89 77.569 -10.575 -6.925 1.00 0.00 C ATOM 1398 C LEU A 89 76.780 -9.421 -6.313 1.00 0.00 C ATOM 1399 O LEU A 89 77.361 -8.476 -5.781 1.00 0.00 O ATOM 1400 CB LEU A 89 77.617 -10.414 -8.446 1.00 0.00 C ATOM 1401 CG LEU A 89 78.908 -11.033 -8.984 1.00 0.00 C ATOM 1402 CD1 LEU A 89 78.948 -12.521 -8.636 1.00 0.00 C ATOM 1403 CD2 LEU A 89 78.961 -10.864 -10.504 1.00 0.00 C ATOM 0 H LEU A 89 76.144 -12.109 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 89 78.582 -10.552 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 89 76.752 -10.897 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 89 77.569 -9.358 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 89 79.764 -10.532 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 89 79.869 -12.960 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.912 -12.643 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 78.091 -13.023 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 89 79.881 -11.305 -10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 89 78.104 -11.363 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 89 78.936 -9.803 -10.753 1.00 0.00 H new ATOM 1415 N LEU A 90 75.458 -9.501 -6.400 1.00 0.00 N ATOM 1416 CA LEU A 90 74.599 -8.452 -5.862 1.00 0.00 C ATOM 1417 C LEU A 90 74.913 -8.191 -4.391 1.00 0.00 C ATOM 1418 O LEU A 90 74.940 -7.044 -3.952 1.00 0.00 O ATOM 1419 CB LEU A 90 73.131 -8.860 -6.010 1.00 0.00 C ATOM 1420 CG LEU A 90 72.221 -7.670 -5.676 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.828 -7.926 -6.250 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.115 -7.480 -4.155 1.00 0.00 C ATOM 0 H LEU A 90 74.959 -10.277 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 90 74.784 -7.535 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.940 -9.200 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.908 -9.696 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 90 72.648 -6.767 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.177 -7.083 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.896 -8.042 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.416 -8.835 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.466 -6.632 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.698 -8.380 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.106 -7.293 -3.742 1.00 0.00 H new ATOM 1434 N THR A 91 75.151 -9.257 -3.636 1.00 0.00 N ATOM 1435 CA THR A 91 75.461 -9.117 -2.215 1.00 0.00 C ATOM 1436 C THR A 91 76.781 -8.376 -2.019 1.00 0.00 C ATOM 1437 O THR A 91 76.931 -7.588 -1.085 1.00 0.00 O ATOM 1438 CB THR A 91 75.551 -10.495 -1.558 1.00 0.00 C ATOM 1439 OG1 THR A 91 74.344 -11.209 -1.790 1.00 0.00 O ATOM 1440 CG2 THR A 91 75.771 -10.331 -0.053 1.00 0.00 C ATOM 0 H THR A 91 75.136 -10.218 -3.977 1.00 0.00 H new ATOM 0 HA THR A 91 74.661 -8.542 -1.749 1.00 0.00 H new ATOM 0 HB THR A 91 76.387 -11.049 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.242 -11.376 -2.750 1.00 0.00 H new ATOM 0 HG21 THR A 91 75.835 -11.314 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 91 76.698 -9.785 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 91 74.937 -9.778 0.378 1.00 0.00 H new ATOM 1448 N GLN A 92 77.738 -8.650 -2.897 1.00 0.00 N ATOM 1449 CA GLN A 92 79.052 -8.024 -2.810 1.00 0.00 C ATOM 1450 C GLN A 92 78.950 -6.500 -2.805 1.00 0.00 C ATOM 1451 O GLN A 92 79.739 -5.822 -2.148 1.00 0.00 O ATOM 1452 CB GLN A 92 79.920 -8.471 -3.987 1.00 0.00 C ATOM 1453 CG GLN A 92 81.349 -7.964 -3.786 1.00 0.00 C ATOM 1454 CD GLN A 92 82.237 -8.445 -4.926 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.817 -9.271 -5.736 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.448 -7.972 -5.040 1.00 0.00 N ATOM 0 H GLN A 92 77.630 -9.300 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 92 79.507 -8.338 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.916 -9.558 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.513 -8.084 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.355 -6.875 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.740 -8.322 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.794 -7.288 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 92 84.049 -8.287 -5.802 1.00 0.00 H new ATOM 1465 N ILE A 93 77.990 -5.964 -3.550 1.00 0.00 N ATOM 1466 CA ILE A 93 77.822 -4.516 -3.626 1.00 0.00 C ATOM 1467 C ILE A 93 77.602 -3.923 -2.236 1.00 0.00 C ATOM 1468 O ILE A 93 77.892 -2.750 -2.000 1.00 0.00 O ATOM 1469 CB ILE A 93 76.632 -4.171 -4.527 1.00 0.00 C ATOM 1470 CG1 ILE A 93 76.761 -2.727 -5.019 1.00 0.00 C ATOM 1471 CG2 ILE A 93 75.329 -4.314 -3.734 1.00 0.00 C ATOM 1472 CD1 ILE A 93 75.735 -2.474 -6.124 1.00 0.00 C ATOM 0 H ILE A 93 77.323 -6.502 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 93 78.732 -4.089 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 93 76.621 -4.850 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 93 76.601 -2.034 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 93 77.768 -2.548 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 93 74.483 -4.068 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 93 75.229 -5.340 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 93 75.346 -3.636 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 93 75.825 -1.446 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 93 75.917 -3.158 -6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 93 74.731 -2.637 -5.732 1.00 0.00 H new ATOM 1484 N GLY A 94 77.089 -4.738 -1.321 1.00 0.00 N ATOM 1485 CA GLY A 94 76.836 -4.280 0.040 1.00 0.00 C ATOM 1486 C GLY A 94 75.461 -3.629 0.152 1.00 0.00 C ATOM 1487 O GLY A 94 74.624 -3.767 -0.741 1.00 0.00 O ATOM 0 H GLY A 94 76.842 -5.712 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 94 76.900 -5.122 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 94 77.605 -3.567 0.336 1.00 0.00 H new ATOM 1491 N ALA A 95 75.234 -2.921 1.253 1.00 0.00 N ATOM 1492 CA ALA A 95 73.954 -2.253 1.473 1.00 0.00 C ATOM 1493 C ALA A 95 73.867 -0.971 0.651 1.00 0.00 C ATOM 1494 O ALA A 95 72.879 -0.269 0.789 1.00 0.00 O ATOM 1495 CB ALA A 95 73.785 -1.920 2.956 1.00 0.00 C ATOM 1496 OXT ALA A 95 74.789 -0.710 -0.102 1.00 0.00 O ATOM 0 H ALA A 95 75.914 -2.794 2.003 1.00 0.00 H new ATOM 0 HA ALA A 95 73.158 -2.928 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 95 72.828 -1.422 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 95 73.814 -2.839 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 95 74.592 -1.261 3.275 1.00 0.00 H new TER 1502 ALA A 95