USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 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 1 MET N :NH3+ -115:sc= 0.508 (180deg=-0.335) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -6.84! C(o=-16!,f=-22!) USER MOD Set 1.3: A 86 HIS : no HD1:sc= -9.73! C(o=-16!,f=-23!) USER MOD Set 1.4: A 88 HIS : no HE2:sc= 0.35 K(o=-16,f=-25!) USER MOD Set 2.1: A 5 THR OG1 : rot 98:sc= -0.694! USER MOD Set 2.2: A 76 GLN : amide:sc= -0.566! C(o=-1.3!,f=-6.9!) USER MOD Set 3.1: A 23 SER OG : rot 110:sc= 1.2 USER MOD Set 3.2: A 57 TYR OH : rot -140:sc= 1.04 USER MOD Set 4.1: A 47 MET CE :methyl 175:sc= -0.116 (180deg=-0.114) USER MOD Set 4.2: A 48 HIS :FLIP no HD1:sc= -0.138 F(o=-1.2,f=-0.25) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 141:sc= -2.45 (180deg=-4.15!) USER MOD Single : A 14 SER OG : rot -35:sc= 0.95 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc=-0.00886 (180deg=-0.436) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= -0.518 (180deg=-1.45) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= -7! (180deg=-8.79!) USER MOD Single : A 32 GLN : amide:sc= -3.44! C(o=-3.4!,f=-3.8!) USER MOD Single : A 35 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.5) USER MOD Single : A 36 ASN : amide:sc=-0.00975 K(o=-0.0098,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.9!) USER MOD Single : A 44 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.2!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 37:sc= 0.844 USER MOD Single : A 61 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.067) USER MOD Single : A 63 SER OG : rot 52:sc= 0.634 USER MOD Single : A 64 SER OG : rot 8:sc= 0.995 USER MOD Single : A 68 ASN : amide:sc= -5.24! C(o=-5.2!,f=-17!) USER MOD Single : A 75 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 89 HIS : no HD1:sc= -2.23! X(o=-2.2!,f=-1.7) USER MOD Single : A 90 HIS : no HD1:sc= -0.0711 K(o=-0.071,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.646 -14.249 11.802 1.00 0.00 N ATOM 2 CA MET A 1 -5.961 -13.335 12.760 1.00 0.00 C ATOM 3 C MET A 1 -6.305 -13.747 14.187 1.00 0.00 C ATOM 4 O MET A 1 -7.309 -14.420 14.424 1.00 0.00 O ATOM 5 CB MET A 1 -6.424 -11.898 12.507 1.00 0.00 C ATOM 6 CG MET A 1 -5.881 -11.415 11.162 1.00 0.00 C ATOM 7 SD MET A 1 -6.433 -9.717 10.864 1.00 0.00 S ATOM 8 CE MET A 1 -5.894 -9.603 9.139 1.00 0.00 C ATOM 0 H1 MET A 1 -5.935 -14.795 11.275 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.265 -14.900 12.326 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.216 -13.690 11.136 1.00 0.00 H new ATOM 0 HA MET A 1 -4.882 -13.396 12.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.513 -11.850 12.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.074 -11.246 13.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.792 -11.461 11.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.229 -12.068 10.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.140 -8.617 8.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.816 -9.757 9.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.401 -10.366 8.548 1.00 0.00 H new ATOM 20 N GLY A 2 -5.469 -13.337 15.134 1.00 0.00 N ATOM 21 CA GLY A 2 -5.695 -13.666 16.537 1.00 0.00 C ATOM 22 C GLY A 2 -5.259 -15.096 16.841 1.00 0.00 C ATOM 23 O GLY A 2 -5.602 -15.652 17.885 1.00 0.00 O ATOM 0 H GLY A 2 -4.633 -12.779 14.958 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.143 -12.971 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.751 -13.545 16.777 1.00 0.00 H new ATOM 27 N VAL A 3 -4.498 -15.688 15.920 1.00 0.00 N ATOM 28 CA VAL A 3 -4.012 -17.063 16.089 1.00 0.00 C ATOM 29 C VAL A 3 -2.537 -17.065 16.474 1.00 0.00 C ATOM 30 O VAL A 3 -1.915 -18.120 16.598 1.00 0.00 O ATOM 31 CB VAL A 3 -4.200 -17.842 14.787 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.692 -18.062 14.538 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.604 -17.044 13.622 1.00 0.00 C ATOM 0 H VAL A 3 -4.204 -15.241 15.051 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.585 -17.538 16.886 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.695 -18.805 14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.828 -18.617 13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.119 -18.628 15.366 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.194 -17.098 14.461 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.738 -17.600 12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.109 -16.081 13.545 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.540 -16.883 13.798 1.00 0.00 H new ATOM 43 N TRP A 4 -1.984 -15.872 16.660 1.00 0.00 N ATOM 44 CA TRP A 4 -0.578 -15.731 17.030 1.00 0.00 C ATOM 45 C TRP A 4 -0.398 -15.923 18.536 1.00 0.00 C ATOM 46 O TRP A 4 -1.259 -15.547 19.330 1.00 0.00 O ATOM 47 CB TRP A 4 -0.067 -14.335 16.613 1.00 0.00 C ATOM 48 CG TRP A 4 -1.208 -13.364 16.611 1.00 0.00 C ATOM 49 CD1 TRP A 4 -1.914 -12.992 17.703 1.00 0.00 C ATOM 50 CD2 TRP A 4 -1.787 -12.648 15.484 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.892 -12.094 17.317 1.00 0.00 N ATOM 52 CE2 TRP A 4 -2.853 -11.848 15.959 1.00 0.00 C ATOM 53 CE3 TRP A 4 -1.492 -12.611 14.108 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -3.605 -11.046 15.099 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -2.246 -11.803 13.240 1.00 0.00 C ATOM 56 CH2 TRP A 4 -3.298 -11.021 13.736 1.00 0.00 C ATOM 0 H TRP A 4 -2.485 -14.989 16.561 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.001 -16.497 16.512 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.708 -13.999 17.302 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.385 -14.383 15.622 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -1.742 -13.339 18.711 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -3.561 -11.666 17.957 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.681 -13.207 13.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -4.418 -10.449 15.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.014 -11.785 12.185 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.871 -10.399 13.065 1.00 0.00 H new ATOM 67 N THR A 5 0.736 -16.503 18.917 1.00 0.00 N ATOM 68 CA THR A 5 1.038 -16.735 20.324 1.00 0.00 C ATOM 69 C THR A 5 2.546 -16.872 20.523 1.00 0.00 C ATOM 70 O THR A 5 3.017 -17.812 21.163 1.00 0.00 O ATOM 71 CB THR A 5 0.333 -18.003 20.817 1.00 0.00 C ATOM 72 OG1 THR A 5 -0.990 -18.038 20.303 1.00 0.00 O ATOM 73 CG2 THR A 5 0.283 -18.001 22.347 1.00 0.00 C ATOM 0 H THR A 5 1.459 -16.820 18.272 1.00 0.00 H new ATOM 0 HA THR A 5 0.678 -15.883 20.901 1.00 0.00 H new ATOM 0 HB THR A 5 0.883 -18.879 20.473 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.016 -18.608 19.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.219 -18.904 22.696 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.298 -17.973 22.744 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.266 -17.125 22.692 1.00 0.00 H new ATOM 81 N PRO A 6 3.297 -15.946 19.989 1.00 0.00 N ATOM 82 CA PRO A 6 4.787 -15.939 20.099 1.00 0.00 C ATOM 83 C PRO A 6 5.247 -15.733 21.540 1.00 0.00 C ATOM 84 O PRO A 6 4.432 -15.637 22.454 1.00 0.00 O ATOM 85 CB PRO A 6 5.210 -14.762 19.204 1.00 0.00 C ATOM 86 CG PRO A 6 4.020 -13.863 19.170 1.00 0.00 C ATOM 87 CD PRO A 6 2.811 -14.790 19.215 1.00 0.00 C ATOM 0 HA PRO A 6 5.232 -16.886 19.794 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.082 -14.249 19.610 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.478 -15.102 18.204 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.021 -13.177 20.017 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.014 -13.253 18.267 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.957 -14.314 19.697 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.491 -15.082 18.215 1.00 0.00 H new ATOM 95 N GLU A 7 6.559 -15.671 21.731 1.00 0.00 N ATOM 96 CA GLU A 7 7.118 -15.471 23.063 1.00 0.00 C ATOM 97 C GLU A 7 6.361 -14.373 23.802 1.00 0.00 C ATOM 98 O GLU A 7 6.455 -14.256 25.024 1.00 0.00 O ATOM 99 CB GLU A 7 8.599 -15.097 22.956 1.00 0.00 C ATOM 100 CG GLU A 7 8.742 -13.759 22.225 1.00 0.00 C ATOM 101 CD GLU A 7 10.215 -13.447 21.997 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.945 -14.355 21.635 1.00 0.00 O ATOM 103 OE2 GLU A 7 10.595 -12.303 22.187 1.00 0.00 O ATOM 0 H GLU A 7 7.252 -15.756 20.987 1.00 0.00 H new ATOM 0 HA GLU A 7 7.020 -16.401 23.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.039 -15.028 23.951 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.143 -15.875 22.420 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.218 -13.799 21.270 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.279 -12.964 22.810 1.00 0.00 H new ATOM 110 N VAL A 8 5.618 -13.566 23.051 1.00 0.00 N ATOM 111 CA VAL A 8 4.858 -12.474 23.647 1.00 0.00 C ATOM 112 C VAL A 8 4.012 -13.001 24.799 1.00 0.00 C ATOM 113 O VAL A 8 3.934 -12.384 25.857 1.00 0.00 O ATOM 114 CB VAL A 8 3.945 -11.822 22.596 1.00 0.00 C ATOM 115 CG1 VAL A 8 2.767 -12.746 22.268 1.00 0.00 C ATOM 116 CG2 VAL A 8 3.409 -10.495 23.140 1.00 0.00 C ATOM 0 H VAL A 8 5.526 -13.646 22.038 1.00 0.00 H new ATOM 0 HA VAL A 8 5.557 -11.727 24.022 1.00 0.00 H new ATOM 0 HB VAL A 8 4.522 -11.646 21.688 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.129 -12.271 21.523 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.144 -13.690 21.875 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.189 -12.934 23.173 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.761 -10.032 22.396 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.840 -10.679 24.052 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.243 -9.829 23.360 1.00 0.00 H new ATOM 126 N LEU A 9 3.385 -14.153 24.584 1.00 0.00 N ATOM 127 CA LEU A 9 2.556 -14.753 25.618 1.00 0.00 C ATOM 128 C LEU A 9 3.403 -15.088 26.838 1.00 0.00 C ATOM 129 O LEU A 9 3.010 -14.822 27.972 1.00 0.00 O ATOM 130 CB LEU A 9 1.891 -16.029 25.083 1.00 0.00 C ATOM 131 CG LEU A 9 1.093 -16.725 26.198 1.00 0.00 C ATOM 132 CD1 LEU A 9 0.054 -15.759 26.788 1.00 0.00 C ATOM 133 CD2 LEU A 9 0.383 -17.952 25.616 1.00 0.00 C ATOM 0 H LEU A 9 3.435 -14.683 23.714 1.00 0.00 H new ATOM 0 HA LEU A 9 1.783 -14.040 25.906 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.229 -15.781 24.253 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.651 -16.707 24.693 1.00 0.00 H new ATOM 0 HG LEU A 9 1.775 -17.033 26.990 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.505 -16.263 27.576 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.561 -14.888 27.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.633 -15.440 26.004 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.185 -18.450 26.402 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.295 -17.638 24.822 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.123 -18.642 25.210 1.00 0.00 H new ATOM 145 N LYS A 10 4.568 -15.671 26.593 1.00 0.00 N ATOM 146 CA LYS A 10 5.470 -16.037 27.674 1.00 0.00 C ATOM 147 C LYS A 10 5.971 -14.789 28.387 1.00 0.00 C ATOM 148 O LYS A 10 6.227 -14.809 29.591 1.00 0.00 O ATOM 149 CB LYS A 10 6.654 -16.828 27.124 1.00 0.00 C ATOM 150 CG LYS A 10 7.508 -17.340 28.285 1.00 0.00 C ATOM 151 CD LYS A 10 8.677 -18.166 27.736 1.00 0.00 C ATOM 152 CE LYS A 10 8.152 -19.423 27.022 1.00 0.00 C ATOM 153 NZ LYS A 10 7.945 -19.116 25.578 1.00 0.00 N ATOM 0 H LYS A 10 4.909 -15.900 25.659 1.00 0.00 H new ATOM 0 HA LYS A 10 4.926 -16.658 28.386 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.298 -17.665 26.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.254 -16.197 26.468 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.885 -16.501 28.870 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.902 -17.949 28.955 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.263 -17.563 27.042 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.343 -18.453 28.550 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.862 -20.243 27.134 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.215 -19.749 27.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.238 -19.932 25.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.939 -18.915 25.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.513 -18.286 25.315 1.00 0.00 H new ATOM 167 N ALA A 11 6.114 -13.705 27.636 1.00 0.00 N ATOM 168 CA ALA A 11 6.589 -12.454 28.207 1.00 0.00 C ATOM 169 C ALA A 11 5.702 -12.035 29.374 1.00 0.00 C ATOM 170 O ALA A 11 6.195 -11.622 30.422 1.00 0.00 O ATOM 171 CB ALA A 11 6.581 -11.356 27.141 1.00 0.00 C ATOM 0 H ALA A 11 5.909 -13.667 26.637 1.00 0.00 H new ATOM 0 HA ALA A 11 7.607 -12.602 28.568 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.938 -10.423 27.577 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.233 -11.644 26.317 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.566 -11.218 26.769 1.00 0.00 H new ATOM 177 N ARG A 12 4.392 -12.150 29.185 1.00 0.00 N ATOM 178 CA ARG A 12 3.445 -11.788 30.234 1.00 0.00 C ATOM 179 C ARG A 12 3.620 -12.708 31.439 1.00 0.00 C ATOM 180 O ARG A 12 3.644 -12.252 32.582 1.00 0.00 O ATOM 181 CB ARG A 12 2.000 -11.893 29.701 1.00 0.00 C ATOM 182 CG ARG A 12 1.594 -10.594 28.989 1.00 0.00 C ATOM 183 CD ARG A 12 2.403 -10.432 27.704 1.00 0.00 C ATOM 184 NE ARG A 12 1.976 -9.237 26.989 1.00 0.00 N ATOM 185 CZ ARG A 12 2.757 -8.665 26.080 1.00 0.00 C ATOM 186 NH1 ARG A 12 3.929 -9.173 25.815 1.00 0.00 N ATOM 187 NH2 ARG A 12 2.352 -7.594 25.453 1.00 0.00 N ATOM 0 H ARG A 12 3.964 -12.488 28.323 1.00 0.00 H new ATOM 0 HA ARG A 12 3.638 -10.760 30.541 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.921 -12.733 29.011 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.315 -12.092 30.526 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.529 -10.613 28.759 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.763 -9.741 29.646 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.465 -10.364 27.940 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.273 -11.310 27.071 1.00 0.00 H new ATOM 0 HE ARG A 12 1.061 -8.833 27.190 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.245 -10.009 26.306 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.529 -8.734 25.117 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.436 -7.197 25.661 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.952 -7.154 24.755 1.00 0.00 H new ATOM 201 N ALA A 13 3.744 -14.005 31.175 1.00 0.00 N ATOM 202 CA ALA A 13 3.919 -14.976 32.247 1.00 0.00 C ATOM 203 C ALA A 13 5.253 -14.752 32.946 1.00 0.00 C ATOM 204 O ALA A 13 5.354 -14.851 34.168 1.00 0.00 O ATOM 205 CB ALA A 13 3.869 -16.394 31.679 1.00 0.00 C ATOM 0 H ALA A 13 3.727 -14.404 30.237 1.00 0.00 H new ATOM 0 HA ALA A 13 3.113 -14.849 32.970 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.001 -17.114 32.486 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.905 -16.560 31.199 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.666 -16.521 30.946 1.00 0.00 H new ATOM 211 N SER A 14 6.277 -14.443 32.155 1.00 0.00 N ATOM 212 CA SER A 14 7.613 -14.198 32.690 1.00 0.00 C ATOM 213 C SER A 14 7.809 -12.716 32.980 1.00 0.00 C ATOM 214 O SER A 14 8.885 -12.301 33.403 1.00 0.00 O ATOM 215 CB SER A 14 8.666 -14.661 31.683 1.00 0.00 C ATOM 216 OG SER A 14 9.961 -14.435 32.224 1.00 0.00 O ATOM 0 H SER A 14 6.207 -14.356 31.141 1.00 0.00 H new ATOM 0 HA SER A 14 7.722 -14.757 33.619 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.532 -15.719 31.459 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.551 -14.120 30.744 1.00 0.00 H new ATOM 0 HG SER A 14 9.954 -13.613 32.757 1.00 0.00 H new ATOM 222 N VAL A 15 6.757 -11.932 32.742 1.00 0.00 N ATOM 223 CA VAL A 15 6.802 -10.488 32.970 1.00 0.00 C ATOM 224 C VAL A 15 7.756 -9.817 31.986 1.00 0.00 C ATOM 225 O VAL A 15 7.437 -8.778 31.404 1.00 0.00 O ATOM 226 CB VAL A 15 7.244 -10.187 34.405 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.959 -8.720 34.730 1.00 0.00 C ATOM 228 CG2 VAL A 15 6.471 -11.087 35.374 1.00 0.00 C ATOM 0 H VAL A 15 5.862 -12.274 32.391 1.00 0.00 H new ATOM 0 HA VAL A 15 5.799 -10.089 32.815 1.00 0.00 H new ATOM 0 HB VAL A 15 8.312 -10.378 34.505 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.274 -8.506 35.751 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.509 -8.081 34.039 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.891 -8.526 34.631 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.784 -10.875 36.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.403 -10.896 35.274 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.676 -12.132 35.142 1.00 0.00 H new ATOM 238 N ILE A 16 8.934 -10.411 31.807 1.00 0.00 N ATOM 239 CA ILE A 16 9.943 -9.872 30.895 1.00 0.00 C ATOM 240 C ILE A 16 10.474 -10.963 29.972 1.00 0.00 C ATOM 241 O ILE A 16 10.386 -12.151 30.284 1.00 0.00 O ATOM 242 CB ILE A 16 11.089 -9.266 31.708 1.00 0.00 C ATOM 243 CG1 ILE A 16 11.696 -10.332 32.629 1.00 0.00 C ATOM 244 CG2 ILE A 16 10.552 -8.113 32.555 1.00 0.00 C ATOM 245 CD1 ILE A 16 12.926 -9.756 33.332 1.00 0.00 C ATOM 0 H ILE A 16 9.215 -11.268 32.283 1.00 0.00 H new ATOM 0 HA ILE A 16 9.485 -9.099 30.278 1.00 0.00 H new ATOM 0 HB ILE A 16 11.858 -8.899 31.028 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.960 -10.654 33.366 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.974 -11.213 32.050 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.366 -7.679 33.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.124 -7.351 31.903 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.782 -8.486 33.231 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.358 -10.513 33.987 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.663 -9.456 32.587 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.634 -8.888 33.923 1.00 0.00 H new ATOM 257 N GLY A 17 11.025 -10.553 28.835 1.00 0.00 N ATOM 258 CA GLY A 17 11.567 -11.507 27.874 1.00 0.00 C ATOM 259 C GLY A 17 12.797 -12.207 28.442 1.00 0.00 C ATOM 260 O GLY A 17 13.700 -11.562 28.975 1.00 0.00 O ATOM 0 H GLY A 17 11.108 -9.575 28.557 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.807 -12.246 27.620 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.830 -10.991 26.951 1.00 0.00 H new ATOM 264 N LYS A 18 12.823 -13.529 28.320 1.00 0.00 N ATOM 265 CA LYS A 18 13.945 -14.315 28.822 1.00 0.00 C ATOM 266 C LYS A 18 13.792 -15.779 28.413 1.00 0.00 C ATOM 267 O LYS A 18 13.833 -16.675 29.255 1.00 0.00 O ATOM 268 CB LYS A 18 14.014 -14.214 30.349 1.00 0.00 C ATOM 269 CG LYS A 18 15.394 -14.666 30.833 1.00 0.00 C ATOM 270 CD LYS A 18 15.478 -14.515 32.352 1.00 0.00 C ATOM 271 CE LYS A 18 16.917 -14.751 32.809 1.00 0.00 C ATOM 272 NZ LYS A 18 17.344 -16.122 32.413 1.00 0.00 N ATOM 0 H LYS A 18 12.084 -14.078 27.880 1.00 0.00 H new ATOM 0 HA LYS A 18 14.865 -13.920 28.392 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.825 -13.188 30.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.239 -14.834 30.800 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.568 -15.704 30.550 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.172 -14.071 30.354 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.150 -13.518 32.648 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.810 -15.227 32.836 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.578 -14.009 32.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.991 -14.633 33.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.218 -16.373 32.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.596 -16.802 32.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.517 -16.149 31.388 1.00 0.00 H new ATOM 286 N PRO A 19 13.614 -16.031 27.141 1.00 0.00 N ATOM 287 CA PRO A 19 13.447 -17.418 26.609 1.00 0.00 C ATOM 288 C PRO A 19 14.724 -18.247 26.761 1.00 0.00 C ATOM 289 O PRO A 19 15.830 -17.722 26.645 1.00 0.00 O ATOM 290 CB PRO A 19 13.085 -17.199 25.131 1.00 0.00 C ATOM 291 CG PRO A 19 13.657 -15.862 24.793 1.00 0.00 C ATOM 292 CD PRO A 19 13.562 -15.025 26.070 1.00 0.00 C ATOM 0 HA PRO A 19 12.688 -17.983 27.150 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.507 -17.981 24.500 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.005 -17.217 24.981 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.692 -15.953 24.463 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.102 -15.395 23.979 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.384 -14.314 26.146 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.638 -14.448 26.105 1.00 0.00 H new ATOM 300 N ILE A 20 14.559 -19.545 27.017 1.00 0.00 N ATOM 301 CA ILE A 20 15.708 -20.439 27.177 1.00 0.00 C ATOM 302 C ILE A 20 16.143 -20.981 25.821 1.00 0.00 C ATOM 303 O ILE A 20 15.336 -21.548 25.092 1.00 0.00 O ATOM 304 CB ILE A 20 15.336 -21.591 28.139 1.00 0.00 C ATOM 305 CG1 ILE A 20 16.587 -22.062 28.903 1.00 0.00 C ATOM 306 CG2 ILE A 20 14.702 -22.776 27.384 1.00 0.00 C ATOM 307 CD1 ILE A 20 17.739 -22.390 27.939 1.00 0.00 C ATOM 0 H ILE A 20 13.651 -19.998 27.117 1.00 0.00 H new ATOM 0 HA ILE A 20 16.544 -19.885 27.603 1.00 0.00 H new ATOM 0 HB ILE A 20 14.598 -21.212 28.847 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.903 -21.287 29.601 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.343 -22.944 29.496 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.453 -23.567 28.091 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.795 -22.443 26.879 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.408 -23.158 26.647 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.608 -22.720 28.509 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.429 -23.183 27.258 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.998 -21.500 27.365 1.00 0.00 H new ATOM 319 N GLY A 21 17.419 -20.820 25.499 1.00 0.00 N ATOM 320 CA GLY A 21 17.934 -21.316 24.232 1.00 0.00 C ATOM 321 C GLY A 21 17.997 -22.840 24.245 1.00 0.00 C ATOM 322 O GLY A 21 18.700 -23.432 25.061 1.00 0.00 O ATOM 0 H GLY A 21 18.109 -20.356 26.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.296 -20.979 23.415 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.927 -20.906 24.050 1.00 0.00 H new ATOM 326 N GLU A 22 17.255 -23.469 23.338 1.00 0.00 N ATOM 327 CA GLU A 22 17.234 -24.928 23.256 1.00 0.00 C ATOM 328 C GLU A 22 16.286 -25.381 22.145 1.00 0.00 C ATOM 329 O GLU A 22 15.787 -24.563 21.372 1.00 0.00 O ATOM 330 CB GLU A 22 16.800 -25.536 24.619 1.00 0.00 C ATOM 331 CG GLU A 22 17.936 -26.379 25.219 1.00 0.00 C ATOM 332 CD GLU A 22 18.175 -27.619 24.361 1.00 0.00 C ATOM 333 OE1 GLU A 22 17.200 -28.216 23.932 1.00 0.00 O ATOM 334 OE2 GLU A 22 19.328 -27.954 24.143 1.00 0.00 O ATOM 0 H GLU A 22 16.664 -22.997 22.654 1.00 0.00 H new ATOM 0 HA GLU A 22 18.238 -25.281 23.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.528 -24.738 25.310 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.913 -26.155 24.482 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.848 -25.786 25.277 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.682 -26.674 26.237 1.00 0.00 H new ATOM 341 N SER A 23 16.045 -26.688 22.078 1.00 0.00 N ATOM 342 CA SER A 23 15.159 -27.240 21.061 1.00 0.00 C ATOM 343 C SER A 23 13.762 -26.644 21.200 1.00 0.00 C ATOM 344 O SER A 23 13.068 -26.423 20.209 1.00 0.00 O ATOM 345 CB SER A 23 15.086 -28.762 21.205 1.00 0.00 C ATOM 346 OG SER A 23 14.608 -29.089 22.503 1.00 0.00 O ATOM 0 H SER A 23 16.448 -27.379 22.711 1.00 0.00 H new ATOM 0 HA SER A 23 15.555 -26.989 20.077 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.425 -29.179 20.446 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.071 -29.201 21.046 1.00 0.00 H new ATOM 0 HG SER A 23 13.703 -29.460 22.435 1.00 0.00 H new ATOM 352 N TYR A 24 13.361 -26.380 22.440 1.00 0.00 N ATOM 353 CA TYR A 24 12.049 -25.799 22.701 1.00 0.00 C ATOM 354 C TYR A 24 11.949 -24.424 22.048 1.00 0.00 C ATOM 355 O TYR A 24 10.916 -24.060 21.498 1.00 0.00 O ATOM 356 CB TYR A 24 11.807 -25.676 24.207 1.00 0.00 C ATOM 357 CG TYR A 24 10.463 -25.028 24.448 1.00 0.00 C ATOM 358 CD1 TYR A 24 9.295 -25.800 24.388 1.00 0.00 C ATOM 359 CD2 TYR A 24 10.383 -23.659 24.727 1.00 0.00 C ATOM 360 CE1 TYR A 24 8.049 -25.202 24.608 1.00 0.00 C ATOM 361 CE2 TYR A 24 9.135 -23.061 24.947 1.00 0.00 C ATOM 362 CZ TYR A 24 7.968 -23.833 24.887 1.00 0.00 C ATOM 363 OH TYR A 24 6.739 -23.243 25.104 1.00 0.00 O ATOM 0 H TYR A 24 13.921 -26.558 23.274 1.00 0.00 H new ATOM 0 HA TYR A 24 11.289 -26.455 22.277 1.00 0.00 H new ATOM 0 HB2 TYR A 24 11.837 -26.661 24.673 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.597 -25.082 24.666 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.356 -26.856 24.172 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.283 -23.064 24.773 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.149 -25.798 24.562 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.073 -22.005 25.163 1.00 0.00 H new ATOM 0 HH TYR A 24 6.862 -22.288 25.285 1.00 0.00 H new ATOM 373 N LYS A 25 13.033 -23.665 22.115 1.00 0.00 N ATOM 374 CA LYS A 25 13.058 -22.336 21.518 1.00 0.00 C ATOM 375 C LYS A 25 12.967 -22.433 19.997 1.00 0.00 C ATOM 376 O LYS A 25 12.632 -21.462 19.321 1.00 0.00 O ATOM 377 CB LYS A 25 14.346 -21.607 21.914 1.00 0.00 C ATOM 378 CG LYS A 25 14.324 -20.175 21.371 1.00 0.00 C ATOM 379 CD LYS A 25 15.572 -19.426 21.846 1.00 0.00 C ATOM 380 CE LYS A 25 15.542 -17.991 21.310 1.00 0.00 C ATOM 381 NZ LYS A 25 14.387 -17.262 21.904 1.00 0.00 N ATOM 0 H LYS A 25 13.901 -23.943 22.573 1.00 0.00 H new ATOM 0 HA LYS A 25 12.200 -21.774 21.887 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.446 -21.592 22.999 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.211 -22.141 21.521 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.289 -20.189 20.282 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.426 -19.660 21.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.612 -19.418 22.935 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.470 -19.937 21.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.473 -17.480 21.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.460 -17.999 20.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.734 -16.971 21.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.889 -17.886 22.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.730 -16.420 22.408 1.00 0.00 H new ATOM 395 N ARG A 26 13.280 -23.610 19.462 1.00 0.00 N ATOM 396 CA ARG A 26 13.246 -23.815 18.022 1.00 0.00 C ATOM 397 C ARG A 26 11.828 -23.647 17.490 1.00 0.00 C ATOM 398 O ARG A 26 11.603 -22.945 16.508 1.00 0.00 O ATOM 399 CB ARG A 26 13.768 -25.226 17.694 1.00 0.00 C ATOM 400 CG ARG A 26 14.478 -25.228 16.334 1.00 0.00 C ATOM 401 CD ARG A 26 13.509 -24.803 15.222 1.00 0.00 C ATOM 402 NE ARG A 26 13.521 -23.350 15.079 1.00 0.00 N ATOM 403 CZ ARG A 26 13.116 -22.767 13.959 1.00 0.00 C ATOM 404 NH1 ARG A 26 12.718 -23.498 12.954 1.00 0.00 N ATOM 405 NH2 ARG A 26 13.125 -21.466 13.858 1.00 0.00 N ATOM 0 H ARG A 26 13.558 -24.430 20.002 1.00 0.00 H new ATOM 0 HA ARG A 26 13.882 -23.070 17.543 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.456 -25.556 18.472 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.939 -25.934 17.680 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.330 -24.549 16.361 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.870 -26.223 16.123 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.795 -25.272 14.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.501 -25.146 15.456 1.00 0.00 H new ATOM 0 HE ARG A 26 13.847 -22.773 15.855 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.719 -24.515 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.406 -23.052 12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.444 -20.896 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.813 -21.019 12.996 1.00 0.00 H new ATOM 419 N ILE A 27 10.879 -24.294 18.155 1.00 0.00 N ATOM 420 CA ILE A 27 9.488 -24.204 17.748 1.00 0.00 C ATOM 421 C ILE A 27 8.933 -22.818 18.052 1.00 0.00 C ATOM 422 O ILE A 27 8.145 -22.272 17.282 1.00 0.00 O ATOM 423 CB ILE A 27 8.653 -25.276 18.454 1.00 0.00 C ATOM 424 CG1 ILE A 27 8.977 -25.278 19.950 1.00 0.00 C ATOM 425 CG2 ILE A 27 8.975 -26.649 17.863 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.998 -26.189 20.691 1.00 0.00 C ATOM 0 H ILE A 27 11.048 -24.881 18.972 1.00 0.00 H new ATOM 0 HA ILE A 27 9.433 -24.373 16.673 1.00 0.00 H new ATOM 0 HB ILE A 27 7.594 -25.058 18.312 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.999 -25.621 20.110 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.916 -24.264 20.346 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.380 -27.411 18.367 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.741 -26.651 16.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.034 -26.866 18.002 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.233 -26.187 21.755 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.981 -25.826 20.543 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.081 -27.204 20.303 1.00 0.00 H new ATOM 438 N LEU A 28 9.342 -22.265 19.187 1.00 0.00 N ATOM 439 CA LEU A 28 8.877 -20.950 19.596 1.00 0.00 C ATOM 440 C LEU A 28 9.309 -19.895 18.585 1.00 0.00 C ATOM 441 O LEU A 28 8.536 -19.005 18.235 1.00 0.00 O ATOM 442 CB LEU A 28 9.448 -20.607 20.975 1.00 0.00 C ATOM 443 CG LEU A 28 8.864 -19.281 21.481 1.00 0.00 C ATOM 444 CD1 LEU A 28 7.344 -19.413 21.687 1.00 0.00 C ATOM 445 CD2 LEU A 28 9.539 -18.917 22.808 1.00 0.00 C ATOM 0 H LEU A 28 9.992 -22.706 19.837 1.00 0.00 H new ATOM 0 HA LEU A 28 7.788 -20.963 19.646 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.218 -21.406 21.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.534 -20.535 20.918 1.00 0.00 H new ATOM 0 HG LEU A 28 9.047 -18.498 20.745 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.942 -18.466 22.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.870 -19.673 20.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.143 -20.194 22.420 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.132 -17.976 23.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.353 -19.704 23.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.613 -18.812 22.653 1.00 0.00 H new ATOM 457 N ALA A 29 10.548 -19.997 18.121 1.00 0.00 N ATOM 458 CA ALA A 29 11.062 -19.039 17.152 1.00 0.00 C ATOM 459 C ALA A 29 10.287 -19.138 15.842 1.00 0.00 C ATOM 460 O ALA A 29 9.950 -18.125 15.230 1.00 0.00 O ATOM 461 CB ALA A 29 12.545 -19.305 16.894 1.00 0.00 C ATOM 0 H ALA A 29 11.208 -20.724 18.396 1.00 0.00 H new ATOM 0 HA ALA A 29 10.940 -18.035 17.558 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.923 -18.585 16.168 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.100 -19.206 17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.671 -20.315 16.503 1.00 0.00 H new ATOM 467 N LYS A 30 9.999 -20.366 15.426 1.00 0.00 N ATOM 468 CA LYS A 30 9.253 -20.594 14.195 1.00 0.00 C ATOM 469 C LYS A 30 7.827 -20.075 14.328 1.00 0.00 C ATOM 470 O LYS A 30 7.228 -19.616 13.356 1.00 0.00 O ATOM 471 CB LYS A 30 9.225 -22.084 13.865 1.00 0.00 C ATOM 472 CG LYS A 30 8.568 -22.283 12.498 1.00 0.00 C ATOM 473 CD LYS A 30 8.639 -23.759 12.097 1.00 0.00 C ATOM 474 CE LYS A 30 10.102 -24.199 11.922 1.00 0.00 C ATOM 475 NZ LYS A 30 10.600 -24.774 13.206 1.00 0.00 N ATOM 0 H LYS A 30 10.270 -21.216 15.921 1.00 0.00 H new ATOM 0 HA LYS A 30 9.751 -20.055 13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.238 -22.486 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.672 -22.628 14.631 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.529 -21.956 12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.070 -21.669 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.157 -24.372 12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.092 -23.916 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.179 -24.938 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.717 -23.349 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.334 -25.483 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.002 -24.016 13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.812 -25.224 13.714 1.00 0.00 H new ATOM 489 N LEU A 31 7.288 -20.160 15.538 1.00 0.00 N ATOM 490 CA LEU A 31 5.930 -19.704 15.784 1.00 0.00 C ATOM 491 C LEU A 31 5.808 -18.229 15.430 1.00 0.00 C ATOM 492 O LEU A 31 4.799 -17.796 14.879 1.00 0.00 O ATOM 493 CB LEU A 31 5.559 -19.918 17.258 1.00 0.00 C ATOM 494 CG LEU A 31 4.144 -19.390 17.537 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.128 -20.074 16.609 1.00 0.00 C ATOM 496 CD2 LEU A 31 3.785 -19.674 19.000 1.00 0.00 C ATOM 0 H LEU A 31 7.767 -20.537 16.356 1.00 0.00 H new ATOM 0 HA LEU A 31 5.246 -20.280 15.161 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.613 -20.979 17.503 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.278 -19.406 17.898 1.00 0.00 H new ATOM 0 HG LEU A 31 4.115 -18.316 17.351 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.129 -19.691 16.817 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.387 -19.867 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.146 -21.150 16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.781 -19.302 19.207 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.819 -20.748 19.181 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.499 -19.174 19.654 1.00 0.00 H new ATOM 508 N GLN A 32 6.838 -17.462 15.752 1.00 0.00 N ATOM 509 CA GLN A 32 6.830 -16.037 15.457 1.00 0.00 C ATOM 510 C GLN A 32 6.602 -15.803 13.966 1.00 0.00 C ATOM 511 O GLN A 32 5.903 -14.870 13.576 1.00 0.00 O ATOM 512 CB GLN A 32 8.161 -15.408 15.890 1.00 0.00 C ATOM 513 CG GLN A 32 7.976 -13.906 16.120 1.00 0.00 C ATOM 514 CD GLN A 32 7.554 -13.228 14.821 1.00 0.00 C ATOM 515 OE1 GLN A 32 8.206 -13.397 13.791 1.00 0.00 O ATOM 516 NE2 GLN A 32 6.495 -12.466 14.808 1.00 0.00 N ATOM 0 H GLN A 32 7.683 -17.798 16.214 1.00 0.00 H new ATOM 0 HA GLN A 32 6.016 -15.569 16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.518 -15.884 16.804 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.919 -15.577 15.125 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.222 -13.738 16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.906 -13.468 16.483 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.956 -12.327 15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.206 -12.009 13.943 1.00 0.00 H new ATOM 525 N ARG A 33 7.197 -16.655 13.138 1.00 0.00 N ATOM 526 CA ARG A 33 7.047 -16.527 11.692 1.00 0.00 C ATOM 527 C ARG A 33 5.582 -16.685 11.295 1.00 0.00 C ATOM 528 O ARG A 33 5.077 -15.949 10.447 1.00 0.00 O ATOM 529 CB ARG A 33 7.882 -17.592 10.979 1.00 0.00 C ATOM 530 CG ARG A 33 7.806 -17.375 9.465 1.00 0.00 C ATOM 531 CD ARG A 33 8.611 -18.457 8.751 1.00 0.00 C ATOM 532 NE ARG A 33 8.738 -18.137 7.334 1.00 0.00 N ATOM 533 CZ ARG A 33 9.535 -18.843 6.539 1.00 0.00 C ATOM 534 NH1 ARG A 33 10.240 -19.825 7.029 1.00 0.00 N ATOM 535 NH2 ARG A 33 9.620 -18.547 5.271 1.00 0.00 N ATOM 0 H ARG A 33 7.782 -17.434 13.439 1.00 0.00 H new ATOM 0 HA ARG A 33 7.394 -15.537 11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.918 -17.540 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.515 -18.587 11.233 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.767 -17.403 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.195 -16.390 9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.600 -18.542 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.121 -19.423 8.871 1.00 0.00 H new ATOM 0 HE ARG A 33 8.206 -17.358 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.179 -20.051 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.852 -20.367 6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.075 -17.774 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.232 -19.089 4.661 1.00 0.00 H new ATOM 549 N ILE A 34 4.908 -17.656 11.907 1.00 0.00 N ATOM 550 CA ILE A 34 3.504 -17.906 11.601 1.00 0.00 C ATOM 551 C ILE A 34 2.716 -16.602 11.641 1.00 0.00 C ATOM 552 O ILE A 34 1.689 -16.468 10.974 1.00 0.00 O ATOM 553 CB ILE A 34 2.910 -18.892 12.619 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.724 -20.208 12.624 1.00 0.00 C ATOM 555 CG2 ILE A 34 1.441 -19.170 12.276 1.00 0.00 C ATOM 556 CD1 ILE A 34 3.269 -21.149 11.500 1.00 0.00 C ATOM 0 H ILE A 34 5.308 -18.277 12.611 1.00 0.00 H new ATOM 0 HA ILE A 34 3.438 -18.335 10.601 1.00 0.00 H new ATOM 0 HB ILE A 34 2.961 -18.452 13.615 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.784 -19.983 12.506 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.609 -20.706 13.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.024 -19.870 13.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.877 -18.237 12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.376 -19.601 11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.860 -22.064 11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.215 -21.393 11.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.408 -20.659 10.536 1.00 0.00 H new ATOM 568 N HIS A 35 3.203 -15.642 12.418 1.00 0.00 N ATOM 569 CA HIS A 35 2.530 -14.356 12.523 1.00 0.00 C ATOM 570 C HIS A 35 2.435 -13.703 11.148 1.00 0.00 C ATOM 571 O HIS A 35 1.359 -13.281 10.722 1.00 0.00 O ATOM 572 CB HIS A 35 3.308 -13.445 13.471 1.00 0.00 C ATOM 573 CG HIS A 35 2.560 -12.157 13.660 1.00 0.00 C ATOM 574 ND1 HIS A 35 2.588 -11.141 12.719 1.00 0.00 N ATOM 575 CD2 HIS A 35 1.759 -11.705 14.677 1.00 0.00 C ATOM 576 CE1 HIS A 35 1.825 -10.136 13.186 1.00 0.00 C ATOM 577 NE2 HIS A 35 1.296 -10.428 14.378 1.00 0.00 N ATOM 0 H HIS A 35 4.051 -15.728 12.978 1.00 0.00 H new ATOM 0 HA HIS A 35 1.524 -14.512 12.914 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.449 -13.939 14.432 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.300 -13.245 13.066 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.523 -12.257 15.575 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.660 -9.206 12.661 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.685 -9.841 14.946 1.00 0.00 H new ATOM 585 N ASN A 36 3.566 -13.640 10.448 1.00 0.00 N ATOM 586 CA ASN A 36 3.599 -13.053 9.111 1.00 0.00 C ATOM 587 C ASN A 36 3.120 -14.067 8.073 1.00 0.00 C ATOM 588 O ASN A 36 2.469 -13.711 7.090 1.00 0.00 O ATOM 589 CB ASN A 36 5.017 -12.591 8.773 1.00 0.00 C ATOM 590 CG ASN A 36 5.046 -11.985 7.374 1.00 0.00 C ATOM 591 OD1 ASN A 36 4.047 -11.432 6.917 1.00 0.00 O ATOM 592 ND2 ASN A 36 6.138 -12.058 6.663 1.00 0.00 N ATOM 0 H ASN A 36 4.466 -13.986 10.782 1.00 0.00 H new ATOM 0 HA ASN A 36 2.932 -12.191 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.353 -11.856 9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.706 -13.434 8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.164 -11.656 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.965 -12.517 7.044 1.00 0.00 H new ATOM 599 N SER A 37 3.455 -15.337 8.299 1.00 0.00 N ATOM 600 CA SER A 37 3.067 -16.411 7.391 1.00 0.00 C ATOM 601 C SER A 37 1.701 -16.967 7.783 1.00 0.00 C ATOM 602 O SER A 37 1.327 -18.067 7.370 1.00 0.00 O ATOM 603 CB SER A 37 4.123 -17.525 7.441 1.00 0.00 C ATOM 604 OG SER A 37 5.134 -17.251 6.480 1.00 0.00 O ATOM 0 H SER A 37 3.996 -15.646 9.107 1.00 0.00 H new ATOM 0 HA SER A 37 3.002 -16.018 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.559 -17.586 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.661 -18.491 7.236 1.00 0.00 H new ATOM 0 HG SER A 37 5.812 -17.958 6.508 1.00 0.00 H new ATOM 610 N ASN A 38 0.963 -16.212 8.589 1.00 0.00 N ATOM 611 CA ASN A 38 -0.351 -16.658 9.035 1.00 0.00 C ATOM 612 C ASN A 38 -1.146 -17.222 7.866 1.00 0.00 C ATOM 613 O ASN A 38 -1.401 -16.531 6.880 1.00 0.00 O ATOM 614 CB ASN A 38 -1.119 -15.486 9.649 1.00 0.00 C ATOM 615 CG ASN A 38 -1.352 -14.413 8.592 1.00 0.00 C ATOM 616 OD1 ASN A 38 -0.656 -14.378 7.578 1.00 0.00 O ATOM 617 ND2 ASN A 38 -2.299 -13.531 8.767 1.00 0.00 N ATOM 0 H ASN A 38 1.248 -15.299 8.943 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.214 -17.439 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.073 -15.832 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.558 -15.070 10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.463 -12.812 8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.875 -13.561 9.608 1.00 0.00 H new ATOM 624 N ILE A 39 -1.533 -18.488 7.986 1.00 0.00 N ATOM 625 CA ILE A 39 -2.297 -19.156 6.937 1.00 0.00 C ATOM 626 C ILE A 39 -1.777 -18.758 5.558 1.00 0.00 C ATOM 627 O ILE A 39 -2.438 -18.020 4.827 1.00 0.00 O ATOM 628 CB ILE A 39 -3.774 -18.783 7.049 1.00 0.00 C ATOM 629 CG1 ILE A 39 -4.260 -19.062 8.465 1.00 0.00 C ATOM 630 CG2 ILE A 39 -4.593 -19.626 6.068 1.00 0.00 C ATOM 631 CD1 ILE A 39 -5.680 -18.520 8.628 1.00 0.00 C ATOM 0 H ILE A 39 -1.331 -19.072 8.798 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.182 -20.233 7.061 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.896 -17.725 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.243 -20.134 8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.594 -18.593 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.646 -19.358 6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.249 -19.438 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.468 -20.683 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.031 -18.718 9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.682 -17.445 8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.341 -19.010 7.913 1.00 0.00 H new ATOM 643 N LEU A 40 -0.584 -19.243 5.211 1.00 0.00 N ATOM 644 CA LEU A 40 0.022 -18.931 3.912 1.00 0.00 C ATOM 645 C LEU A 40 0.140 -20.195 3.077 1.00 0.00 C ATOM 646 O LEU A 40 0.644 -21.207 3.546 1.00 0.00 O ATOM 647 CB LEU A 40 1.413 -18.326 4.107 1.00 0.00 C ATOM 648 CG LEU A 40 1.969 -17.831 2.763 1.00 0.00 C ATOM 649 CD1 LEU A 40 1.118 -16.662 2.228 1.00 0.00 C ATOM 650 CD2 LEU A 40 3.420 -17.379 2.961 1.00 0.00 C ATOM 0 H LEU A 40 -0.020 -19.850 5.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.615 -18.211 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.362 -17.499 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.085 -19.070 4.535 1.00 0.00 H new ATOM 0 HG LEU A 40 1.933 -18.641 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.524 -16.322 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.090 -16.996 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.137 -15.841 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.824 -17.026 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.453 -16.572 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.017 -18.218 3.319 1.00 0.00 H new ATOM 662 N ASP A 41 -0.327 -20.127 1.834 1.00 0.00 N ATOM 663 CA ASP A 41 -0.276 -21.278 0.936 1.00 0.00 C ATOM 664 C ASP A 41 1.022 -22.056 1.115 1.00 0.00 C ATOM 665 O ASP A 41 1.026 -23.285 1.116 1.00 0.00 O ATOM 666 CB ASP A 41 -0.400 -20.808 -0.516 1.00 0.00 C ATOM 667 CG ASP A 41 -0.365 -22.006 -1.459 1.00 0.00 C ATOM 668 OD1 ASP A 41 -0.141 -23.107 -0.982 1.00 0.00 O ATOM 669 OD2 ASP A 41 -0.562 -21.806 -2.646 1.00 0.00 O ATOM 0 H ASP A 41 -0.744 -19.290 1.426 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.108 -21.939 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.331 -20.257 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.413 -20.123 -0.755 1.00 0.00 H new ATOM 674 N GLU A 42 2.120 -21.334 1.265 1.00 0.00 N ATOM 675 CA GLU A 42 3.412 -21.972 1.445 1.00 0.00 C ATOM 676 C GLU A 42 3.552 -22.543 2.857 1.00 0.00 C ATOM 677 O GLU A 42 4.074 -23.643 3.041 1.00 0.00 O ATOM 678 CB GLU A 42 4.523 -20.955 1.187 1.00 0.00 C ATOM 679 CG GLU A 42 5.873 -21.673 1.117 1.00 0.00 C ATOM 680 CD GLU A 42 5.948 -22.516 -0.151 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.062 -22.386 -0.980 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.888 -23.285 -0.274 1.00 0.00 O ATOM 0 H GLU A 42 2.143 -20.314 1.266 1.00 0.00 H new ATOM 0 HA GLU A 42 3.492 -22.795 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.334 -20.424 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.538 -20.209 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.683 -20.944 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.003 -22.307 1.994 1.00 0.00 H new ATOM 689 N ARG A 43 3.100 -21.779 3.848 1.00 0.00 N ATOM 690 CA ARG A 43 3.192 -22.208 5.240 1.00 0.00 C ATOM 691 C ARG A 43 2.109 -23.230 5.567 1.00 0.00 C ATOM 692 O ARG A 43 2.225 -23.978 6.538 1.00 0.00 O ATOM 693 CB ARG A 43 3.069 -20.987 6.164 1.00 0.00 C ATOM 694 CG ARG A 43 3.535 -21.331 7.594 1.00 0.00 C ATOM 695 CD ARG A 43 5.049 -21.114 7.737 1.00 0.00 C ATOM 696 NE ARG A 43 5.783 -22.138 7.005 1.00 0.00 N ATOM 697 CZ ARG A 43 7.060 -21.969 6.684 1.00 0.00 C ATOM 698 NH1 ARG A 43 7.672 -20.867 7.009 1.00 0.00 N ATOM 699 NH2 ARG A 43 7.697 -22.905 6.036 1.00 0.00 N ATOM 0 H ARG A 43 2.669 -20.864 3.714 1.00 0.00 H new ATOM 0 HA ARG A 43 4.161 -22.683 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.667 -20.166 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.034 -20.645 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.004 -20.709 8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.288 -22.367 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.318 -20.127 7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.328 -21.141 8.790 1.00 0.00 H new ATOM 0 HE ARG A 43 5.308 -22.999 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.170 -20.134 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.653 -20.737 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.214 -23.765 5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.678 -22.777 5.789 1.00 0.00 H new ATOM 713 N GLN A 44 1.061 -23.276 4.750 1.00 0.00 N ATOM 714 CA GLN A 44 -0.019 -24.230 4.977 1.00 0.00 C ATOM 715 C GLN A 44 0.550 -25.612 5.275 1.00 0.00 C ATOM 716 O GLN A 44 -0.021 -26.368 6.060 1.00 0.00 O ATOM 717 CB GLN A 44 -0.941 -24.297 3.748 1.00 0.00 C ATOM 718 CG GLN A 44 -1.951 -23.145 3.786 1.00 0.00 C ATOM 719 CD GLN A 44 -2.860 -23.211 2.564 1.00 0.00 C ATOM 720 OE1 GLN A 44 -2.767 -24.149 1.772 1.00 0.00 O ATOM 721 NE2 GLN A 44 -3.736 -22.266 2.361 1.00 0.00 N ATOM 0 H GLN A 44 0.937 -22.673 3.936 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.601 -23.895 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.348 -24.242 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.467 -25.252 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.547 -23.202 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.426 -22.190 3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.811 -21.490 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.346 -22.303 1.544 1.00 0.00 H new ATOM 730 N GLY A 45 1.680 -25.934 4.659 1.00 0.00 N ATOM 731 CA GLY A 45 2.310 -27.222 4.887 1.00 0.00 C ATOM 732 C GLY A 45 2.899 -27.281 6.290 1.00 0.00 C ATOM 733 O GLY A 45 2.677 -28.239 7.030 1.00 0.00 O ATOM 0 H GLY A 45 2.173 -25.326 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.579 -28.020 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.095 -27.387 4.149 1.00 0.00 H new ATOM 737 N LEU A 46 3.660 -26.251 6.647 1.00 0.00 N ATOM 738 CA LEU A 46 4.281 -26.205 7.960 1.00 0.00 C ATOM 739 C LEU A 46 3.208 -26.120 9.042 1.00 0.00 C ATOM 740 O LEU A 46 3.278 -26.794 10.063 1.00 0.00 O ATOM 741 CB LEU A 46 5.230 -24.989 8.050 1.00 0.00 C ATOM 742 CG LEU A 46 6.385 -25.275 9.032 1.00 0.00 C ATOM 743 CD1 LEU A 46 5.821 -25.691 10.398 1.00 0.00 C ATOM 744 CD2 LEU A 46 7.296 -26.395 8.475 1.00 0.00 C ATOM 0 H LEU A 46 3.858 -25.447 6.051 1.00 0.00 H new ATOM 0 HA LEU A 46 4.860 -27.115 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.632 -24.761 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.675 -24.111 8.379 1.00 0.00 H new ATOM 0 HG LEU A 46 6.976 -24.367 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.643 -25.891 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.202 -24.887 10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.217 -26.591 10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.107 -26.587 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.712 -27.305 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.712 -26.083 7.517 1.00 0.00 H new ATOM 756 N MET A 47 2.209 -25.280 8.806 1.00 0.00 N ATOM 757 CA MET A 47 1.134 -25.107 9.771 1.00 0.00 C ATOM 758 C MET A 47 0.534 -26.458 10.141 1.00 0.00 C ATOM 759 O MET A 47 0.293 -26.742 11.314 1.00 0.00 O ATOM 760 CB MET A 47 0.054 -24.202 9.179 1.00 0.00 C ATOM 761 CG MET A 47 -1.034 -23.961 10.224 1.00 0.00 C ATOM 762 SD MET A 47 -2.266 -22.816 9.559 1.00 0.00 S ATOM 763 CE MET A 47 -3.285 -24.044 8.706 1.00 0.00 C ATOM 0 H MET A 47 2.121 -24.713 7.963 1.00 0.00 H new ATOM 0 HA MET A 47 1.537 -24.646 10.672 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.490 -23.253 8.866 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.376 -24.664 8.290 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.508 -24.904 10.495 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.595 -23.551 11.134 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.168 -23.559 8.291 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.709 -24.499 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.593 -24.815 9.412 1.00 0.00 H new ATOM 773 N HIS A 48 0.296 -27.292 9.136 1.00 0.00 N ATOM 774 CA HIS A 48 -0.272 -28.611 9.374 1.00 0.00 C ATOM 775 C HIS A 48 0.711 -29.488 10.143 1.00 0.00 C ATOM 776 O HIS A 48 0.326 -30.210 11.063 1.00 0.00 O ATOM 777 CB HIS A 48 -0.616 -29.277 8.042 1.00 0.00 C ATOM 778 CG HIS A 48 -1.733 -28.517 7.382 1.00 0.00 C ATOM 779 ND1 HIS A 48 -2.307 -27.303 7.665 1.00 0.00 N flip ATOM 780 CD2 HIS A 48 -2.403 -29.003 6.271 1.00 0.00 C flip ATOM 781 CE1 HIS A 48 -3.316 -27.036 6.745 1.00 0.00 C flip ATOM 782 NE2 HIS A 48 -3.332 -28.092 5.927 1.00 0.00 N flip ATOM 0 H HIS A 48 0.486 -27.080 8.157 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.178 -28.494 9.968 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.260 -29.295 7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.912 -30.313 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.214 -29.942 5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.950 -26.163 6.702 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.970 -28.195 5.138 1.00 0.00 H new ATOM 790 N GLU A 49 1.979 -29.422 9.758 1.00 0.00 N ATOM 791 CA GLU A 49 3.010 -30.213 10.418 1.00 0.00 C ATOM 792 C GLU A 49 3.244 -29.704 11.834 1.00 0.00 C ATOM 793 O GLU A 49 3.572 -30.472 12.739 1.00 0.00 O ATOM 794 CB GLU A 49 4.316 -30.144 9.626 1.00 0.00 C ATOM 795 CG GLU A 49 4.130 -30.857 8.288 1.00 0.00 C ATOM 796 CD GLU A 49 5.393 -30.725 7.444 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.354 -30.157 7.935 1.00 0.00 O ATOM 798 OE2 GLU A 49 5.379 -31.195 6.318 1.00 0.00 O ATOM 0 H GLU A 49 2.317 -28.833 8.997 1.00 0.00 H new ATOM 0 HA GLU A 49 2.673 -31.248 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.601 -29.105 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.123 -30.610 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.904 -31.910 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.281 -30.430 7.755 1.00 0.00 H new ATOM 805 N LEU A 50 3.086 -28.398 12.011 1.00 0.00 N ATOM 806 CA LEU A 50 3.288 -27.779 13.312 1.00 0.00 C ATOM 807 C LEU A 50 2.285 -28.320 14.328 1.00 0.00 C ATOM 808 O LEU A 50 2.613 -28.520 15.497 1.00 0.00 O ATOM 809 CB LEU A 50 3.137 -26.250 13.203 1.00 0.00 C ATOM 810 CG LEU A 50 3.838 -25.561 14.393 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.335 -25.394 14.102 1.00 0.00 C ATOM 812 CD2 LEU A 50 3.220 -24.178 14.631 1.00 0.00 C ATOM 0 H LEU A 50 2.819 -27.749 11.271 1.00 0.00 H new ATOM 0 HA LEU A 50 4.296 -28.019 13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.568 -25.900 12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.081 -25.981 13.188 1.00 0.00 H new ATOM 0 HG LEU A 50 3.708 -26.182 15.279 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.818 -24.907 14.949 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.786 -26.373 13.941 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.466 -24.783 13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.719 -23.696 15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.343 -23.566 13.737 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.158 -24.287 14.853 1.00 0.00 H new ATOM 824 N MET A 51 1.051 -28.532 13.879 1.00 0.00 N ATOM 825 CA MET A 51 -0.001 -29.022 14.762 1.00 0.00 C ATOM 826 C MET A 51 0.366 -30.377 15.355 1.00 0.00 C ATOM 827 O MET A 51 0.336 -30.560 16.571 1.00 0.00 O ATOM 828 CB MET A 51 -1.306 -29.153 13.971 1.00 0.00 C ATOM 829 CG MET A 51 -2.438 -29.585 14.907 1.00 0.00 C ATOM 830 SD MET A 51 -3.992 -29.657 13.982 1.00 0.00 S ATOM 831 CE MET A 51 -3.842 -31.368 13.412 1.00 0.00 C ATOM 0 H MET A 51 0.757 -28.373 12.915 1.00 0.00 H new ATOM 0 HA MET A 51 -0.124 -28.310 15.579 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.554 -28.202 13.500 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.185 -29.883 13.170 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.214 -30.560 15.339 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.528 -28.882 15.735 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.712 -31.628 12.810 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.939 -31.473 12.810 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.784 -32.034 14.273 1.00 0.00 H new ATOM 841 N GLU A 52 0.716 -31.320 14.488 1.00 0.00 N ATOM 842 CA GLU A 52 1.090 -32.653 14.938 1.00 0.00 C ATOM 843 C GLU A 52 2.457 -32.634 15.605 1.00 0.00 C ATOM 844 O GLU A 52 2.682 -33.315 16.597 1.00 0.00 O ATOM 845 CB GLU A 52 1.101 -33.621 13.752 1.00 0.00 C ATOM 846 CG GLU A 52 2.122 -33.155 12.714 1.00 0.00 C ATOM 847 CD GLU A 52 2.054 -34.048 11.481 1.00 0.00 C ATOM 848 OE1 GLU A 52 1.764 -35.222 11.641 1.00 0.00 O ATOM 849 OE2 GLU A 52 2.293 -33.547 10.394 1.00 0.00 O ATOM 0 H GLU A 52 0.748 -31.187 13.477 1.00 0.00 H new ATOM 0 HA GLU A 52 0.355 -32.988 15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.348 -34.626 14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.109 -33.672 13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.924 -32.120 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.125 -33.184 13.140 1.00 0.00 H new ATOM 856 N LEU A 53 3.366 -31.854 15.046 1.00 0.00 N ATOM 857 CA LEU A 53 4.711 -31.762 15.587 1.00 0.00 C ATOM 858 C LEU A 53 4.683 -31.213 17.006 1.00 0.00 C ATOM 859 O LEU A 53 5.435 -31.663 17.871 1.00 0.00 O ATOM 860 CB LEU A 53 5.575 -30.870 14.690 1.00 0.00 C ATOM 861 CG LEU A 53 7.021 -30.780 15.249 1.00 0.00 C ATOM 862 CD1 LEU A 53 8.034 -30.856 14.100 1.00 0.00 C ATOM 863 CD2 LEU A 53 7.217 -29.450 15.995 1.00 0.00 C ATOM 0 H LEU A 53 3.199 -31.278 14.221 1.00 0.00 H new ATOM 0 HA LEU A 53 5.143 -32.762 15.616 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.594 -31.272 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.139 -29.873 14.629 1.00 0.00 H new ATOM 0 HG LEU A 53 7.178 -31.613 15.935 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.045 -30.792 14.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.913 -31.801 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.865 -30.029 13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.234 -29.397 16.383 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.046 -28.620 15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.510 -29.389 16.822 1.00 0.00 H new ATOM 875 N ILE A 54 3.817 -30.237 17.245 1.00 0.00 N ATOM 876 CA ILE A 54 3.710 -29.641 18.567 1.00 0.00 C ATOM 877 C ILE A 54 3.261 -30.684 19.591 1.00 0.00 C ATOM 878 O ILE A 54 3.822 -30.776 20.678 1.00 0.00 O ATOM 879 CB ILE A 54 2.708 -28.472 18.526 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.388 -27.227 17.911 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.203 -28.149 19.943 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.137 -26.422 18.982 1.00 0.00 C ATOM 0 H ILE A 54 3.185 -29.845 16.547 1.00 0.00 H new ATOM 0 HA ILE A 54 4.689 -29.267 18.866 1.00 0.00 H new ATOM 0 HB ILE A 54 1.855 -28.759 17.911 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.084 -27.537 17.131 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.637 -26.596 17.436 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.496 -27.321 19.897 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.709 -29.026 20.362 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.046 -27.871 20.575 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.606 -25.552 18.522 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.434 -26.093 19.748 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.904 -27.048 19.438 1.00 0.00 H new ATOM 894 N ASP A 55 2.242 -31.456 19.240 1.00 0.00 N ATOM 895 CA ASP A 55 1.724 -32.474 20.143 1.00 0.00 C ATOM 896 C ASP A 55 2.717 -33.616 20.299 1.00 0.00 C ATOM 897 O ASP A 55 2.900 -34.147 21.391 1.00 0.00 O ATOM 898 CB ASP A 55 0.397 -33.012 19.609 1.00 0.00 C ATOM 899 CG ASP A 55 -0.163 -34.065 20.557 1.00 0.00 C ATOM 900 OD1 ASP A 55 0.524 -34.407 21.505 1.00 0.00 O ATOM 901 OD2 ASP A 55 -1.273 -34.513 20.321 1.00 0.00 O ATOM 0 H ASP A 55 1.760 -31.398 18.343 1.00 0.00 H new ATOM 0 HA ASP A 55 1.566 -32.019 21.121 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.317 -32.196 19.498 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.543 -33.444 18.619 1.00 0.00 H new ATOM 906 N LEU A 56 3.344 -33.998 19.201 1.00 0.00 N ATOM 907 CA LEU A 56 4.316 -35.079 19.234 1.00 0.00 C ATOM 908 C LEU A 56 5.611 -34.618 19.902 1.00 0.00 C ATOM 909 O LEU A 56 6.351 -35.422 20.468 1.00 0.00 O ATOM 910 CB LEU A 56 4.583 -35.594 17.807 1.00 0.00 C ATOM 911 CG LEU A 56 3.608 -36.742 17.461 1.00 0.00 C ATOM 912 CD1 LEU A 56 3.970 -38.012 18.265 1.00 0.00 C ATOM 913 CD2 LEU A 56 2.161 -36.320 17.783 1.00 0.00 C ATOM 0 H LEU A 56 3.200 -33.580 18.282 1.00 0.00 H new ATOM 0 HA LEU A 56 3.909 -35.900 19.825 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.466 -34.780 17.091 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.612 -35.944 17.726 1.00 0.00 H new ATOM 0 HG LEU A 56 3.690 -36.960 16.396 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.276 -38.813 18.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.986 -38.321 18.019 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.904 -37.798 19.332 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.481 -37.135 17.536 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.078 -36.087 18.845 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.900 -35.439 17.196 1.00 0.00 H new ATOM 925 N TYR A 57 5.890 -33.323 19.813 1.00 0.00 N ATOM 926 CA TYR A 57 7.104 -32.766 20.399 1.00 0.00 C ATOM 927 C TYR A 57 6.915 -32.463 21.886 1.00 0.00 C ATOM 928 O TYR A 57 7.799 -32.729 22.701 1.00 0.00 O ATOM 929 CB TYR A 57 7.479 -31.483 19.658 1.00 0.00 C ATOM 930 CG TYR A 57 8.700 -30.877 20.298 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.964 -31.411 20.026 1.00 0.00 C ATOM 932 CD2 TYR A 57 8.568 -29.788 21.165 1.00 0.00 C ATOM 933 CE1 TYR A 57 11.100 -30.854 20.623 1.00 0.00 C ATOM 934 CE2 TYR A 57 9.703 -29.231 21.761 1.00 0.00 C ATOM 935 CZ TYR A 57 10.969 -29.764 21.491 1.00 0.00 C ATOM 936 OH TYR A 57 12.089 -29.214 22.079 1.00 0.00 O ATOM 0 H TYR A 57 5.295 -32.641 19.343 1.00 0.00 H new ATOM 0 HA TYR A 57 7.902 -33.502 20.303 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.675 -31.700 18.608 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.650 -30.776 19.688 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.063 -32.252 19.356 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.591 -29.378 21.374 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.077 -31.265 20.414 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.603 -28.389 22.430 1.00 0.00 H new ATOM 0 HH TYR A 57 11.889 -28.981 23.010 1.00 0.00 H new ATOM 946 N GLU A 58 5.760 -31.898 22.231 1.00 0.00 N ATOM 947 CA GLU A 58 5.466 -31.554 23.622 1.00 0.00 C ATOM 948 C GLU A 58 5.368 -32.809 24.483 1.00 0.00 C ATOM 949 O GLU A 58 5.645 -32.777 25.673 1.00 0.00 O ATOM 950 CB GLU A 58 4.152 -30.753 23.699 1.00 0.00 C ATOM 951 CG GLU A 58 2.936 -31.693 23.643 1.00 0.00 C ATOM 952 CD GLU A 58 2.599 -32.215 25.038 1.00 0.00 C ATOM 953 OE1 GLU A 58 3.380 -31.982 25.947 1.00 0.00 O ATOM 954 OE2 GLU A 58 1.563 -32.844 25.175 1.00 0.00 O ATOM 0 H GLU A 58 5.016 -31.669 21.572 1.00 0.00 H new ATOM 0 HA GLU A 58 6.282 -30.941 24.005 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.127 -30.174 24.622 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.106 -30.041 22.875 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.078 -31.163 23.229 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.146 -32.529 22.976 1.00 0.00 H new ATOM 961 N GLU A 59 4.940 -33.904 23.871 1.00 0.00 N ATOM 962 CA GLU A 59 4.798 -35.166 24.587 1.00 0.00 C ATOM 963 C GLU A 59 6.100 -35.964 24.564 1.00 0.00 C ATOM 964 O GLU A 59 6.251 -36.947 25.293 1.00 0.00 O ATOM 965 CB GLU A 59 3.669 -35.993 23.965 1.00 0.00 C ATOM 966 CG GLU A 59 4.108 -36.530 22.602 1.00 0.00 C ATOM 967 CD GLU A 59 2.915 -37.143 21.877 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.040 -36.394 21.479 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.896 -38.354 21.732 1.00 0.00 O ATOM 0 H GLU A 59 4.686 -33.945 22.884 1.00 0.00 H new ATOM 0 HA GLU A 59 4.556 -34.942 25.626 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.407 -36.820 24.624 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.775 -35.379 23.853 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.533 -35.724 22.004 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.890 -37.278 22.731 1.00 0.00 H new ATOM 976 N SER A 60 7.022 -35.573 23.688 1.00 0.00 N ATOM 977 CA SER A 60 8.276 -36.304 23.557 1.00 0.00 C ATOM 978 C SER A 60 8.947 -36.530 24.912 1.00 0.00 C ATOM 979 O SER A 60 9.138 -37.669 25.332 1.00 0.00 O ATOM 980 CB SER A 60 9.235 -35.513 22.664 1.00 0.00 C ATOM 981 OG SER A 60 8.733 -35.479 21.334 1.00 0.00 O ATOM 0 H SER A 60 6.927 -34.768 23.069 1.00 0.00 H new ATOM 0 HA SER A 60 8.047 -37.275 23.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.350 -34.499 23.046 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.223 -35.973 22.678 1.00 0.00 H new ATOM 0 HG SER A 60 7.756 -35.400 21.355 1.00 0.00 H new ATOM 987 N GLN A 61 9.294 -35.439 25.593 1.00 0.00 N ATOM 988 CA GLN A 61 9.937 -35.522 26.921 1.00 0.00 C ATOM 989 C GLN A 61 9.002 -35.005 28.018 1.00 0.00 C ATOM 990 O GLN A 61 8.901 -35.598 29.092 1.00 0.00 O ATOM 991 CB GLN A 61 11.263 -34.727 26.924 1.00 0.00 C ATOM 992 CG GLN A 61 12.400 -35.607 27.458 1.00 0.00 C ATOM 993 CD GLN A 61 12.063 -36.087 28.864 1.00 0.00 C ATOM 994 OE1 GLN A 61 12.072 -35.301 29.809 1.00 0.00 O ATOM 995 NE2 GLN A 61 11.757 -37.342 29.060 1.00 0.00 N ATOM 0 H GLN A 61 9.145 -34.488 25.257 1.00 0.00 H new ATOM 0 HA GLN A 61 10.154 -36.570 27.129 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.497 -34.389 25.914 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.161 -33.835 27.543 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.551 -36.462 26.798 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.333 -35.044 27.470 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.750 -37.994 28.275 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.525 -37.670 29.998 1.00 0.00 H new ATOM 1004 N PRO A 62 8.317 -33.927 27.764 1.00 0.00 N ATOM 1005 CA PRO A 62 7.376 -33.327 28.739 1.00 0.00 C ATOM 1006 C PRO A 62 5.918 -33.698 28.458 1.00 0.00 C ATOM 1007 O PRO A 62 5.123 -32.894 27.968 1.00 0.00 O ATOM 1008 CB PRO A 62 7.599 -31.823 28.494 1.00 0.00 C ATOM 1009 CG PRO A 62 8.036 -31.700 27.048 1.00 0.00 C ATOM 1010 CD PRO A 62 8.413 -33.111 26.550 1.00 0.00 C ATOM 0 HA PRO A 62 7.553 -33.663 29.761 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.685 -31.258 28.676 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.359 -31.426 29.167 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.234 -31.282 26.440 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.887 -31.024 26.962 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.732 -33.460 25.774 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.417 -33.134 26.127 1.00 0.00 H new ATOM 1018 N SER A 63 5.593 -34.941 28.813 1.00 0.00 N ATOM 1019 CA SER A 63 4.245 -35.470 28.650 1.00 0.00 C ATOM 1020 C SER A 63 3.392 -35.141 29.875 1.00 0.00 C ATOM 1021 O SER A 63 2.162 -35.140 29.805 1.00 0.00 O ATOM 1022 CB SER A 63 4.312 -36.991 28.464 1.00 0.00 C ATOM 1023 OG SER A 63 4.724 -37.282 27.133 1.00 0.00 O ATOM 0 H SER A 63 6.254 -35.603 29.219 1.00 0.00 H new ATOM 0 HA SER A 63 3.790 -35.012 27.772 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.012 -37.426 29.177 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.337 -37.437 28.661 1.00 0.00 H new ATOM 0 HG SER A 63 5.544 -36.785 26.928 1.00 0.00 H new ATOM 1029 N SER A 64 4.053 -34.868 31.000 1.00 0.00 N ATOM 1030 CA SER A 64 3.351 -34.541 32.250 1.00 0.00 C ATOM 1031 C SER A 64 3.684 -33.123 32.702 1.00 0.00 C ATOM 1032 O SER A 64 3.313 -32.711 33.801 1.00 0.00 O ATOM 1033 CB SER A 64 3.753 -35.532 33.345 1.00 0.00 C ATOM 1034 OG SER A 64 3.410 -34.992 34.616 1.00 0.00 O ATOM 0 H SER A 64 5.070 -34.866 31.076 1.00 0.00 H new ATOM 0 HA SER A 64 2.278 -34.608 32.069 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.246 -36.485 33.193 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.824 -35.729 33.298 1.00 0.00 H new ATOM 0 HG SER A 64 2.878 -34.178 34.493 1.00 0.00 H new ATOM 1040 N GLU A 65 4.389 -32.383 31.853 1.00 0.00 N ATOM 1041 CA GLU A 65 4.766 -31.016 32.186 1.00 0.00 C ATOM 1042 C GLU A 65 3.559 -30.094 32.065 1.00 0.00 C ATOM 1043 O GLU A 65 2.518 -30.481 31.534 1.00 0.00 O ATOM 1044 CB GLU A 65 5.885 -30.540 31.251 1.00 0.00 C ATOM 1045 CG GLU A 65 6.552 -29.277 31.812 1.00 0.00 C ATOM 1046 CD GLU A 65 7.809 -28.953 31.015 1.00 0.00 C ATOM 1047 OE1 GLU A 65 8.663 -29.818 30.915 1.00 0.00 O ATOM 1048 OE2 GLU A 65 7.905 -27.840 30.522 1.00 0.00 O ATOM 0 H GLU A 65 4.708 -32.703 30.939 1.00 0.00 H new ATOM 0 HA GLU A 65 5.126 -30.990 33.214 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.628 -31.329 31.132 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.477 -30.334 30.261 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.857 -28.438 31.767 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.805 -29.425 32.862 1.00 0.00 H new ATOM 1055 N ARG A 66 3.710 -28.877 32.565 1.00 0.00 N ATOM 1056 CA ARG A 66 2.639 -27.894 32.521 1.00 0.00 C ATOM 1057 C ARG A 66 2.232 -27.614 31.082 1.00 0.00 C ATOM 1058 O ARG A 66 1.182 -27.026 30.827 1.00 0.00 O ATOM 1059 CB ARG A 66 3.095 -26.590 33.190 1.00 0.00 C ATOM 1060 CG ARG A 66 1.870 -25.760 33.615 1.00 0.00 C ATOM 1061 CD ARG A 66 1.406 -26.189 35.013 1.00 0.00 C ATOM 1062 NE ARG A 66 0.224 -25.427 35.401 1.00 0.00 N ATOM 1063 CZ ARG A 66 0.327 -24.249 36.009 1.00 0.00 C ATOM 1064 NH1 ARG A 66 1.506 -23.754 36.281 1.00 0.00 N ATOM 1065 NH2 ARG A 66 -0.748 -23.588 36.331 1.00 0.00 N ATOM 0 H ARG A 66 4.567 -28.546 33.007 1.00 0.00 H new ATOM 0 HA ARG A 66 1.780 -28.295 33.059 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.712 -26.814 34.060 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.713 -26.015 32.501 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.121 -24.699 33.616 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.061 -25.896 32.897 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.180 -27.255 35.019 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.206 -26.029 35.736 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.702 -25.806 35.202 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.347 -24.271 36.027 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.584 -22.850 36.747 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.667 -23.974 36.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.670 -22.684 36.797 1.00 0.00 H new ATOM 1079 N LEU A 67 3.072 -28.029 30.140 1.00 0.00 N ATOM 1080 CA LEU A 67 2.780 -27.807 28.730 1.00 0.00 C ATOM 1081 C LEU A 67 1.329 -28.169 28.438 1.00 0.00 C ATOM 1082 O LEU A 67 0.782 -27.768 27.428 1.00 0.00 O ATOM 1083 CB LEU A 67 3.725 -28.637 27.832 1.00 0.00 C ATOM 1084 CG LEU A 67 4.989 -27.834 27.475 1.00 0.00 C ATOM 1085 CD1 LEU A 67 5.911 -27.753 28.693 1.00 0.00 C ATOM 1086 CD2 LEU A 67 5.718 -28.532 26.321 1.00 0.00 C ATOM 0 H LEU A 67 3.950 -28.515 30.324 1.00 0.00 H new ATOM 0 HA LEU A 67 2.940 -26.752 28.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.006 -29.557 28.345 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.204 -28.928 26.920 1.00 0.00 H new ATOM 0 HG LEU A 67 4.708 -26.825 27.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.804 -27.184 28.436 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.389 -27.259 29.512 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.198 -28.759 29.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.615 -27.968 26.063 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.998 -29.541 26.625 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.060 -28.584 25.454 1.00 0.00 H new ATOM 1098 N ASN A 68 0.713 -28.931 29.326 1.00 0.00 N ATOM 1099 CA ASN A 68 -0.678 -29.321 29.137 1.00 0.00 C ATOM 1100 C ASN A 68 -1.521 -28.107 28.740 1.00 0.00 C ATOM 1101 O ASN A 68 -2.607 -28.251 28.179 1.00 0.00 O ATOM 1102 CB ASN A 68 -1.222 -29.931 30.432 1.00 0.00 C ATOM 1103 CG ASN A 68 -1.149 -28.909 31.560 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -1.030 -27.712 31.309 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -1.208 -29.313 32.799 1.00 0.00 N ATOM 0 H ASN A 68 1.146 -29.290 30.177 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.732 -30.060 28.338 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.254 -30.252 30.287 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.646 -30.818 30.696 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.155 -28.635 33.559 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.307 -30.307 33.007 1.00 0.00 H new ATOM 1112 N ALA A 69 -1.013 -26.909 29.040 1.00 0.00 N ATOM 1113 CA ALA A 69 -1.725 -25.675 28.708 1.00 0.00 C ATOM 1114 C ALA A 69 -1.561 -25.333 27.227 1.00 0.00 C ATOM 1115 O ALA A 69 -2.360 -24.589 26.659 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.198 -24.520 29.563 1.00 0.00 C ATOM 0 H ALA A 69 -0.118 -26.769 29.509 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.784 -25.827 28.915 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.734 -23.605 29.309 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.351 -24.749 30.618 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.134 -24.382 29.372 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.527 -25.890 26.611 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.267 -25.657 25.196 1.00 0.00 C ATOM 1124 C PHE A 70 -1.548 -25.844 24.388 1.00 0.00 C ATOM 1125 O PHE A 70 -1.651 -25.381 23.255 1.00 0.00 O ATOM 1126 CB PHE A 70 0.821 -26.630 24.691 1.00 0.00 C ATOM 1127 CG PHE A 70 0.195 -27.951 24.267 1.00 0.00 C ATOM 1128 CD1 PHE A 70 -0.756 -28.578 25.090 1.00 0.00 C ATOM 1129 CD2 PHE A 70 0.546 -28.534 23.043 1.00 0.00 C ATOM 1130 CE1 PHE A 70 -1.346 -29.781 24.690 1.00 0.00 C ATOM 1131 CE2 PHE A 70 -0.045 -29.739 22.646 1.00 0.00 C ATOM 1132 CZ PHE A 70 -0.992 -30.361 23.468 1.00 0.00 C ATOM 0 H PHE A 70 0.145 -26.506 27.068 1.00 0.00 H new ATOM 0 HA PHE A 70 0.085 -24.633 25.068 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.353 -26.186 23.850 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.556 -26.804 25.477 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.032 -28.130 26.033 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.273 -28.054 22.405 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.075 -30.262 25.325 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.230 -30.190 21.704 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.449 -31.289 23.158 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.511 -26.541 24.981 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.773 -26.799 24.307 1.00 0.00 C ATOM 1144 C ARG A 71 -4.298 -25.518 23.678 1.00 0.00 C ATOM 1145 O ARG A 71 -5.036 -25.552 22.693 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.798 -27.350 25.299 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.008 -26.340 26.433 1.00 0.00 C ATOM 1148 CD ARG A 71 -6.025 -26.890 27.434 1.00 0.00 C ATOM 1149 NE ARG A 71 -5.478 -28.053 28.121 1.00 0.00 N ATOM 1150 CZ ARG A 71 -6.213 -28.750 28.980 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -7.442 -28.389 29.229 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -5.705 -29.794 29.577 1.00 0.00 N ATOM 0 H ARG A 71 -2.441 -26.934 25.920 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.608 -27.539 23.524 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.743 -27.544 24.791 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.453 -28.301 25.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.061 -26.141 26.935 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.360 -25.391 26.027 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.285 -26.119 28.160 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.944 -27.164 26.916 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.515 -28.336 27.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.838 -27.572 28.764 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.007 -28.924 29.889 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.744 -30.074 29.384 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.270 -30.329 30.237 1.00 0.00 H new ATOM 1166 N GLU A 72 -3.900 -24.386 24.249 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.323 -23.098 23.723 1.00 0.00 C ATOM 1168 C GLU A 72 -3.728 -22.898 22.336 1.00 0.00 C ATOM 1169 O GLU A 72 -4.431 -22.545 21.389 1.00 0.00 O ATOM 1170 CB GLU A 72 -3.854 -21.977 24.649 1.00 0.00 C ATOM 1171 CG GLU A 72 -4.562 -22.103 25.997 1.00 0.00 C ATOM 1172 CD GLU A 72 -4.086 -21.004 26.941 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -3.353 -20.139 26.490 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -4.468 -21.038 28.099 1.00 0.00 O ATOM 0 H GLU A 72 -3.292 -24.336 25.067 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.411 -23.075 23.661 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.774 -22.032 24.786 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.070 -21.007 24.202 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.641 -22.033 25.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.360 -23.081 26.433 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.426 -23.146 22.219 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.747 -23.013 20.938 1.00 0.00 C ATOM 1183 C LEU A 73 -2.280 -24.053 19.960 1.00 0.00 C ATOM 1184 O LEU A 73 -2.485 -23.768 18.787 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.231 -23.195 21.115 1.00 0.00 C ATOM 1186 CG LEU A 73 0.481 -23.101 19.753 1.00 0.00 C ATOM 1187 CD1 LEU A 73 0.177 -21.751 19.085 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.995 -23.244 19.961 1.00 0.00 C ATOM 0 H LEU A 73 -1.826 -23.438 22.991 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.937 -22.015 20.543 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.157 -22.432 21.790 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.025 -24.162 21.575 1.00 0.00 H new ATOM 0 HG LEU A 73 0.121 -23.901 19.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.687 -21.698 18.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.898 -21.655 18.932 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.526 -20.941 19.726 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.502 -23.178 18.999 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.350 -22.446 20.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.210 -24.210 20.419 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.501 -25.261 20.459 1.00 0.00 N ATOM 1201 CA ARG A 74 -3.003 -26.344 19.628 1.00 0.00 C ATOM 1202 C ARG A 74 -4.330 -25.946 19.006 1.00 0.00 C ATOM 1203 O ARG A 74 -4.602 -26.246 17.844 1.00 0.00 O ATOM 1204 CB ARG A 74 -3.171 -27.613 20.465 1.00 0.00 C ATOM 1205 CG ARG A 74 -3.607 -28.768 19.563 1.00 0.00 C ATOM 1206 CD ARG A 74 -3.716 -30.049 20.390 1.00 0.00 C ATOM 1207 NE ARG A 74 -3.966 -31.192 19.519 1.00 0.00 N ATOM 1208 CZ ARG A 74 -4.375 -32.355 20.015 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -4.561 -32.485 21.300 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -4.591 -33.366 19.220 1.00 0.00 N ATOM 0 H ARG A 74 -2.341 -25.515 21.434 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.286 -26.543 18.832 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.233 -27.860 20.962 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.912 -27.449 21.247 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.567 -28.539 19.100 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.888 -28.904 18.755 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.796 -30.206 20.953 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.522 -29.953 21.117 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.825 -31.097 18.513 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.392 -31.695 21.922 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.875 -33.377 21.682 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.446 -33.265 18.215 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.905 -34.258 19.603 1.00 0.00 H new ATOM 1224 N THR A 75 -5.146 -25.252 19.783 1.00 0.00 N ATOM 1225 CA THR A 75 -6.432 -24.798 19.293 1.00 0.00 C ATOM 1226 C THR A 75 -6.250 -23.870 18.097 1.00 0.00 C ATOM 1227 O THR A 75 -6.960 -23.984 17.097 1.00 0.00 O ATOM 1228 CB THR A 75 -7.178 -24.074 20.399 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.452 -24.976 21.461 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.479 -23.502 19.847 1.00 0.00 C ATOM 0 H THR A 75 -4.941 -24.994 20.748 1.00 0.00 H new ATOM 0 HA THR A 75 -7.011 -25.665 18.976 1.00 0.00 H new ATOM 0 HB THR A 75 -6.564 -23.258 20.779 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.617 -25.204 21.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.014 -22.982 20.642 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.256 -22.802 19.042 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.098 -24.312 19.462 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.296 -22.953 18.205 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.036 -22.014 17.124 1.00 0.00 C ATOM 1240 C GLN A 76 -4.657 -22.765 15.855 1.00 0.00 C ATOM 1241 O GLN A 76 -5.240 -22.546 14.792 1.00 0.00 O ATOM 1242 CB GLN A 76 -3.897 -21.074 17.520 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.356 -20.173 18.667 1.00 0.00 C ATOM 1244 CD GLN A 76 -3.199 -19.304 19.144 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -2.099 -19.379 18.596 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -3.384 -18.478 20.136 1.00 0.00 N ATOM 0 H GLN A 76 -4.696 -22.841 19.022 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.940 -21.434 16.937 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.024 -21.651 17.824 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.597 -20.468 16.665 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.182 -19.543 18.337 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.728 -20.781 19.491 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.297 -18.419 20.587 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.616 -17.891 20.461 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.687 -23.663 15.978 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.251 -24.458 14.839 1.00 0.00 C ATOM 1257 C LEU A 77 -4.389 -25.353 14.364 1.00 0.00 C ATOM 1258 O LEU A 77 -4.606 -25.515 13.163 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.034 -25.314 15.230 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.740 -24.489 15.106 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.437 -24.181 13.625 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.898 -23.174 15.880 1.00 0.00 C ATOM 0 H LEU A 77 -3.191 -23.857 16.848 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.965 -23.789 14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.147 -25.674 16.252 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.977 -26.192 14.587 1.00 0.00 H new ATOM 0 HG LEU A 77 0.087 -25.066 15.521 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.481 -23.597 13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.316 -25.115 13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.262 -23.613 13.195 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.017 -22.589 15.793 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.732 -22.607 15.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.092 -23.391 16.930 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.111 -25.930 15.314 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.226 -26.804 14.982 1.00 0.00 C ATOM 1276 C GLU A 78 -7.323 -26.007 14.285 1.00 0.00 C ATOM 1277 O GLU A 78 -7.970 -26.499 13.361 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.781 -27.442 16.256 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.882 -28.439 15.893 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.424 -29.097 17.157 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -8.097 -28.624 18.234 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.163 -30.059 17.031 1.00 0.00 O ATOM 0 H GLU A 78 -4.946 -25.810 16.313 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.875 -27.588 14.311 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.983 -27.948 16.799 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.178 -26.672 16.917 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.687 -27.928 15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.489 -29.198 15.217 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.521 -24.772 14.734 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.532 -23.909 14.144 1.00 0.00 C ATOM 1291 C LYS A 79 -8.156 -23.573 12.710 1.00 0.00 C ATOM 1292 O LYS A 79 -8.993 -23.605 11.809 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.664 -22.624 14.961 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.815 -21.781 14.406 1.00 0.00 C ATOM 1295 CD LYS A 79 -9.983 -20.500 15.235 1.00 0.00 C ATOM 1296 CE LYS A 79 -10.683 -20.808 16.565 1.00 0.00 C ATOM 1297 NZ LYS A 79 -11.133 -19.531 17.189 1.00 0.00 N ATOM 0 H LYS A 79 -6.997 -24.350 15.500 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.488 -24.432 14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.847 -22.864 16.008 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.733 -22.058 14.922 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.619 -21.526 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.739 -22.358 14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.007 -20.053 15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.564 -19.769 14.672 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.536 -21.465 16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.003 -21.334 17.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.608 -19.734 18.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.309 -18.920 17.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.796 -19.047 16.550 1.00 0.00 H new ATOM 1311 N ALA A 80 -6.885 -23.248 12.509 1.00 0.00 N ATOM 1312 CA ALA A 80 -6.403 -22.911 11.178 1.00 0.00 C ATOM 1313 C ALA A 80 -6.526 -24.113 10.252 1.00 0.00 C ATOM 1314 O ALA A 80 -6.576 -23.967 9.033 1.00 0.00 O ATOM 1315 CB ALA A 80 -4.944 -22.454 11.228 1.00 0.00 C ATOM 0 H ALA A 80 -6.177 -23.211 13.242 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.015 -22.095 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.605 -22.207 10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.860 -21.574 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.325 -23.255 11.633 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.555 -25.304 10.843 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.653 -26.526 10.058 1.00 0.00 C ATOM 1323 C LEU A 81 -7.960 -26.529 9.272 1.00 0.00 C ATOM 1324 O LEU A 81 -7.991 -26.908 8.105 1.00 0.00 O ATOM 1325 CB LEU A 81 -6.587 -27.749 10.993 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.921 -28.940 10.279 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -6.648 -29.225 8.956 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.430 -28.630 10.003 1.00 0.00 C ATOM 0 H LEU A 81 -6.512 -25.447 11.852 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.821 -26.575 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.025 -27.496 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.592 -28.025 11.312 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.985 -29.819 10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.173 -30.068 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.692 -29.464 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.595 -28.345 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.969 -29.479 9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.353 -27.746 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.916 -28.446 10.946 1.00 0.00 H new ATOM 1340 N GLY A 82 -9.038 -26.100 9.922 1.00 0.00 N ATOM 1341 CA GLY A 82 -10.340 -26.053 9.267 1.00 0.00 C ATOM 1342 C GLY A 82 -10.334 -25.020 8.146 1.00 0.00 C ATOM 1343 O GLY A 82 -11.362 -24.761 7.521 1.00 0.00 O ATOM 0 H GLY A 82 -9.036 -25.783 10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.587 -27.035 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.112 -25.804 9.995 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.165 -24.434 7.902 1.00 0.00 N ATOM 1348 CA LEU A 83 -9.020 -23.430 6.855 1.00 0.00 C ATOM 1349 C LEU A 83 -9.949 -22.251 7.120 1.00 0.00 C ATOM 1350 O LEU A 83 -10.038 -21.323 6.315 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.346 -24.048 5.493 1.00 0.00 C ATOM 1352 CG LEU A 83 -8.531 -25.331 5.301 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -8.883 -25.962 3.951 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -7.028 -25.014 5.351 1.00 0.00 C ATOM 0 H LEU A 83 -8.307 -24.637 8.414 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.990 -23.074 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.411 -24.269 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.119 -23.339 4.697 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.770 -26.030 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.303 -26.875 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.946 -26.200 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.650 -25.261 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.458 -25.933 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.778 -24.310 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.781 -24.575 6.317 1.00 0.00 H new ATOM 1366 N GLU A 84 -10.635 -22.291 8.256 1.00 0.00 N ATOM 1367 CA GLU A 84 -11.549 -21.218 8.622 1.00 0.00 C ATOM 1368 C GLU A 84 -10.769 -19.970 9.021 1.00 0.00 C ATOM 1369 O GLU A 84 -9.721 -20.059 9.660 1.00 0.00 O ATOM 1370 CB GLU A 84 -12.437 -21.662 9.787 1.00 0.00 C ATOM 1371 CG GLU A 84 -11.561 -22.110 10.956 1.00 0.00 C ATOM 1372 CD GLU A 84 -12.437 -22.568 12.116 1.00 0.00 C ATOM 1373 OE1 GLU A 84 -13.512 -22.014 12.275 1.00 0.00 O ATOM 1374 OE2 GLU A 84 -12.022 -23.469 12.827 1.00 0.00 O ATOM 0 H GLU A 84 -10.576 -23.050 8.935 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.174 -20.985 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.084 -20.842 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.086 -22.479 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.906 -22.922 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.919 -21.289 11.276 1.00 0.00 H new ATOM 1381 N HIS A 85 -11.286 -18.806 8.635 1.00 0.00 N ATOM 1382 CA HIS A 85 -10.628 -17.540 8.956 1.00 0.00 C ATOM 1383 C HIS A 85 -11.656 -16.424 9.107 1.00 0.00 C ATOM 1384 O HIS A 85 -11.975 -16.010 10.222 1.00 0.00 O ATOM 1385 CB HIS A 85 -9.636 -17.178 7.849 1.00 0.00 C ATOM 1386 CG HIS A 85 -8.925 -15.903 8.211 1.00 0.00 C ATOM 1387 ND1 HIS A 85 -8.089 -15.244 7.323 1.00 0.00 N ATOM 1388 CD2 HIS A 85 -8.916 -15.152 9.361 1.00 0.00 C ATOM 1389 CE1 HIS A 85 -7.617 -14.149 7.945 1.00 0.00 C ATOM 1390 NE2 HIS A 85 -8.089 -14.046 9.191 1.00 0.00 N ATOM 0 H HIS A 85 -12.152 -18.712 8.104 1.00 0.00 H new ATOM 0 HA HIS A 85 -10.096 -17.655 9.900 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -8.914 -17.984 7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.160 -17.058 6.901 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -7.871 -15.537 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.467 -15.385 10.260 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.939 -13.440 7.493 1.00 0.00 H new ATOM 1398 N HIS A 86 -12.170 -15.940 7.982 1.00 0.00 N ATOM 1399 CA HIS A 86 -13.162 -14.871 8.007 1.00 0.00 C ATOM 1400 C HIS A 86 -13.907 -14.796 6.678 1.00 0.00 C ATOM 1401 O HIS A 86 -13.562 -14.004 5.802 1.00 0.00 O ATOM 1402 CB HIS A 86 -12.476 -13.533 8.290 1.00 0.00 C ATOM 1403 CG HIS A 86 -11.484 -13.235 7.200 1.00 0.00 C ATOM 1404 ND1 HIS A 86 -10.475 -14.119 6.855 1.00 0.00 N ATOM 1405 CD2 HIS A 86 -11.333 -12.152 6.368 1.00 0.00 C ATOM 1406 CE1 HIS A 86 -9.768 -13.561 5.856 1.00 0.00 C ATOM 1407 NE2 HIS A 86 -10.248 -12.361 5.521 1.00 0.00 N ATOM 0 H HIS A 86 -11.919 -16.267 7.049 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.881 -15.085 8.797 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -13.218 -12.737 8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -11.971 -13.569 9.255 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -11.960 -11.273 6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -8.916 -14.027 5.383 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -9.895 -11.732 4.799 1.00 0.00 H new ATOM 1415 N HIS A 87 -14.935 -15.630 6.535 1.00 0.00 N ATOM 1416 CA HIS A 87 -15.730 -15.653 5.308 1.00 0.00 C ATOM 1417 C HIS A 87 -14.831 -15.529 4.076 1.00 0.00 C ATOM 1418 O HIS A 87 -13.940 -16.350 3.864 1.00 0.00 O ATOM 1419 CB HIS A 87 -16.741 -14.504 5.323 1.00 0.00 C ATOM 1420 CG HIS A 87 -17.731 -14.718 6.433 1.00 0.00 C ATOM 1421 ND1 HIS A 87 -17.536 -14.199 7.703 1.00 0.00 N ATOM 1422 CD2 HIS A 87 -18.928 -15.387 6.481 1.00 0.00 C ATOM 1423 CE1 HIS A 87 -18.592 -14.560 8.455 1.00 0.00 C ATOM 1424 NE2 HIS A 87 -19.471 -15.285 7.759 1.00 0.00 N ATOM 0 H HIS A 87 -15.236 -16.295 7.248 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.259 -16.605 5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.225 -13.554 5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.259 -14.450 4.366 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -19.380 -15.913 5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -18.714 -14.295 9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -20.351 -15.679 8.092 1.00 0.00 H new ATOM 1432 N HIS A 88 -15.070 -14.497 3.268 1.00 0.00 N ATOM 1433 CA HIS A 88 -14.272 -14.282 2.066 1.00 0.00 C ATOM 1434 C HIS A 88 -14.095 -15.593 1.304 1.00 0.00 C ATOM 1435 O HIS A 88 -13.170 -15.744 0.505 1.00 0.00 O ATOM 1436 CB HIS A 88 -12.902 -13.716 2.449 1.00 0.00 C ATOM 1437 CG HIS A 88 -13.061 -12.297 2.925 1.00 0.00 C ATOM 1438 ND1 HIS A 88 -13.438 -11.987 4.223 1.00 0.00 N ATOM 1439 CD2 HIS A 88 -12.901 -11.091 2.286 1.00 0.00 C ATOM 1440 CE1 HIS A 88 -13.491 -10.647 4.323 1.00 0.00 C ATOM 1441 NE2 HIS A 88 -13.173 -10.051 3.171 1.00 0.00 N ATOM 0 H HIS A 88 -15.802 -13.804 3.423 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.790 -13.571 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.451 -14.325 3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.230 -13.750 1.592 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -13.639 -12.655 4.967 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -12.609 -10.968 1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -13.758 -10.117 5.225 1.00 0.00 H new ATOM 1449 N HIS A 89 -14.990 -16.539 1.570 1.00 0.00 N ATOM 1450 CA HIS A 89 -14.934 -17.848 0.928 1.00 0.00 C ATOM 1451 C HIS A 89 -15.144 -17.752 -0.583 1.00 0.00 C ATOM 1452 O HIS A 89 -14.425 -18.390 -1.352 1.00 0.00 O ATOM 1453 CB HIS A 89 -15.995 -18.766 1.536 1.00 0.00 C ATOM 1454 CG HIS A 89 -17.367 -18.237 1.223 1.00 0.00 C ATOM 1455 ND1 HIS A 89 -18.031 -17.359 2.067 1.00 0.00 N ATOM 1456 CD2 HIS A 89 -18.216 -18.454 0.166 1.00 0.00 C ATOM 1457 CE1 HIS A 89 -19.224 -17.084 1.510 1.00 0.00 C ATOM 1458 NE2 HIS A 89 -19.388 -17.725 0.349 1.00 0.00 N ATOM 0 H HIS A 89 -15.763 -16.424 2.226 1.00 0.00 H new ATOM 0 HA HIS A 89 -13.939 -18.259 1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -15.886 -19.776 1.140 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -15.858 -18.830 2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -18.007 -19.093 -0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.960 -16.425 1.948 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.198 -17.688 -0.270 1.00 0.00 H new ATOM 1466 N HIS A 90 -16.131 -16.968 -1.013 1.00 0.00 N ATOM 1467 CA HIS A 90 -16.400 -16.832 -2.444 1.00 0.00 C ATOM 1468 C HIS A 90 -15.105 -16.602 -3.216 1.00 0.00 C ATOM 1469 O HIS A 90 -14.663 -15.466 -3.270 1.00 0.00 O ATOM 1470 CB HIS A 90 -17.359 -15.668 -2.707 1.00 0.00 C ATOM 1471 CG HIS A 90 -17.719 -15.649 -4.169 1.00 0.00 C ATOM 1472 ND1 HIS A 90 -16.967 -14.958 -5.108 1.00 0.00 N ATOM 1473 CD2 HIS A 90 -18.741 -16.241 -4.873 1.00 0.00 C ATOM 1474 CE1 HIS A 90 -17.541 -15.151 -6.311 1.00 0.00 C ATOM 1475 NE2 HIS A 90 -18.625 -15.926 -6.224 1.00 0.00 N ATOM 1476 OXT HIS A 90 -14.575 -17.566 -3.743 1.00 0.00 O ATOM 0 H HIS A 90 -16.747 -16.427 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.861 -17.759 -2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.258 -15.776 -2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -16.893 -14.725 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.517 -16.857 -4.443 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.170 -14.730 -7.234 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.237 -16.223 -6.984 1.00 0.00 H new TER 1484 HIS A 90