USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 51 SER OG : rot 180:sc= 0.389 USER MOD Set 1.2: A 55 SER OG : rot -146:sc= 0.426 USER MOD Set 2.1: A 30 SER OG : rot 35:sc= 0.00382 USER MOD Set 2.2: A 88 ASN : amide:sc= -3.34 K(o=-3.3,f=-5.8!) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 18 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 180:sc= -0.016 (180deg=0) USER MOD Set 4.2: A 12 MET CE :methyl -103:sc= -0.084 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -169:sc=-0.000698 (180deg=-0.187) USER MOD Single : A 7 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.3!) USER MOD Single : A 11 SER OG : rot -55:sc= 0.131 USER MOD Single : A 14 ASN : amide:sc= -0.44 K(o=-0.44,f=0.71) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -3.73 K(o=-3.7,f=-2.9!) USER MOD Single : A 25 SER OG : rot -169:sc= -0.587 USER MOD Single : A 26 THR OG1 : rot -24:sc= 0.691 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00124 USER MOD Single : A 35 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.31) USER MOD Single : A 52 ASN : amide:sc= -0.0701 K(o=-0.07,f=-0.89) USER MOD Single : A 59 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.24) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 146:sc= -0.199 (180deg=-1.22) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 75 SER OG : rot 63:sc= 1.13 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.061) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 82 SER OG : rot -58:sc= 0.00237 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.204 18.289 -4.455 1.00 0.00 N ATOM 2 CA ALA A 1 -15.910 17.140 -5.085 1.00 0.00 C ATOM 3 C ALA A 1 -14.890 16.079 -5.501 1.00 0.00 C ATOM 4 O ALA A 1 -15.159 14.893 -5.449 1.00 0.00 O ATOM 5 CB ALA A 1 -16.672 17.626 -6.320 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.899 18.920 -4.007 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.542 17.937 -3.735 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.678 18.814 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.611 16.709 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.189 16.785 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.400 18.382 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.970 18.057 -7.034 1.00 0.00 H new ATOM 13 N ARG A 2 -13.721 16.499 -5.914 1.00 0.00 N ATOM 14 CA ARG A 2 -12.674 15.523 -6.338 1.00 0.00 C ATOM 15 C ARG A 2 -11.818 15.131 -5.125 1.00 0.00 C ATOM 16 O ARG A 2 -11.514 15.968 -4.297 1.00 0.00 O ATOM 17 CB ARG A 2 -11.780 16.170 -7.399 1.00 0.00 C ATOM 18 CG ARG A 2 -12.393 15.962 -8.785 1.00 0.00 C ATOM 19 CD ARG A 2 -11.791 14.713 -9.429 1.00 0.00 C ATOM 20 NE ARG A 2 -12.226 14.629 -10.852 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.345 14.422 -11.794 1.00 0.00 C ATOM 22 NH1 ARG A 2 -10.288 15.182 -11.875 1.00 0.00 N ATOM 23 NH2 ARG A 2 -11.521 13.455 -12.653 1.00 0.00 N ATOM 0 H ARG A 2 -13.447 17.479 -5.976 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.151 14.634 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.670 17.235 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.782 15.734 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.475 15.856 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.205 16.834 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.703 14.750 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.109 13.822 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.212 14.733 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.150 15.937 -11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.599 15.021 -12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.347 12.860 -12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.832 13.294 -13.388 1.00 0.00 H new ATOM 37 N PRO A 3 -11.449 13.867 -5.060 1.00 0.00 N ATOM 38 CA PRO A 3 -10.613 13.435 -3.915 1.00 0.00 C ATOM 39 C PRO A 3 -9.138 13.737 -4.198 1.00 0.00 C ATOM 40 O PRO A 3 -8.549 13.194 -5.116 1.00 0.00 O ATOM 41 CB PRO A 3 -10.850 11.930 -3.805 1.00 0.00 C ATOM 42 CG PRO A 3 -11.331 11.467 -5.192 1.00 0.00 C ATOM 43 CD PRO A 3 -11.841 12.718 -5.922 1.00 0.00 C ATOM 0 HA PRO A 3 -10.867 13.954 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.935 11.412 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.595 11.708 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.518 10.999 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.123 10.723 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.397 12.802 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.922 12.680 -6.058 1.00 0.00 H new ATOM 51 N ALA A 4 -8.542 14.607 -3.422 1.00 0.00 N ATOM 52 CA ALA A 4 -7.109 14.963 -3.644 1.00 0.00 C ATOM 53 C ALA A 4 -6.225 13.719 -3.491 1.00 0.00 C ATOM 54 O ALA A 4 -5.146 13.651 -4.050 1.00 0.00 O ATOM 55 CB ALA A 4 -6.684 16.018 -2.622 1.00 0.00 C ATOM 0 H ALA A 4 -8.989 15.088 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.993 15.359 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.638 16.279 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.302 16.908 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.808 15.620 -1.615 1.00 0.00 H new ATOM 61 N PHE A 5 -6.668 12.739 -2.740 1.00 0.00 N ATOM 62 CA PHE A 5 -5.841 11.507 -2.555 1.00 0.00 C ATOM 63 C PHE A 5 -5.804 10.708 -3.860 1.00 0.00 C ATOM 64 O PHE A 5 -4.757 10.257 -4.282 1.00 0.00 O ATOM 65 CB PHE A 5 -6.441 10.634 -1.443 1.00 0.00 C ATOM 66 CG PHE A 5 -5.591 9.391 -1.257 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.401 9.455 -0.522 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.989 8.183 -1.842 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.612 8.308 -0.367 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.199 7.037 -1.690 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.010 7.100 -0.953 1.00 0.00 C ATOM 0 H PHE A 5 -7.562 12.740 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.829 11.800 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.489 11.197 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.463 10.353 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.092 10.388 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.906 8.135 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.697 8.355 0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.506 6.105 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.400 6.217 -0.836 1.00 0.00 H new ATOM 81 N VAL A 6 -6.937 10.512 -4.492 1.00 0.00 N ATOM 82 CA VAL A 6 -6.952 9.721 -5.759 1.00 0.00 C ATOM 83 C VAL A 6 -6.131 10.456 -6.816 1.00 0.00 C ATOM 84 O VAL A 6 -5.457 9.841 -7.620 1.00 0.00 O ATOM 85 CB VAL A 6 -8.383 9.517 -6.260 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.359 8.541 -7.436 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.249 8.926 -5.142 1.00 0.00 C ATOM 0 H VAL A 6 -7.844 10.863 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.518 8.740 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.799 10.476 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.374 8.387 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.743 8.951 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.943 7.588 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.266 8.784 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.837 7.966 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.260 9.608 -4.292 1.00 0.00 H new ATOM 97 N ASN A 7 -6.156 11.768 -6.805 1.00 0.00 N ATOM 98 CA ASN A 7 -5.344 12.543 -7.792 1.00 0.00 C ATOM 99 C ASN A 7 -3.868 12.245 -7.523 1.00 0.00 C ATOM 100 O ASN A 7 -3.069 12.094 -8.428 1.00 0.00 O ATOM 101 CB ASN A 7 -5.608 14.041 -7.614 1.00 0.00 C ATOM 102 CG ASN A 7 -6.914 14.423 -8.312 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.341 13.759 -9.234 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.570 15.477 -7.908 1.00 0.00 N ATOM 0 H ASN A 7 -6.703 12.333 -6.156 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.611 12.260 -8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.667 14.286 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.781 14.617 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.441 15.742 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.211 16.035 -7.133 1.00 0.00 H new ATOM 111 N LYS A 8 -3.525 12.132 -6.269 1.00 0.00 N ATOM 112 CA LYS A 8 -2.124 11.811 -5.877 1.00 0.00 C ATOM 113 C LYS A 8 -1.799 10.378 -6.330 1.00 0.00 C ATOM 114 O LYS A 8 -0.659 10.040 -6.584 1.00 0.00 O ATOM 115 CB LYS A 8 -2.027 11.926 -4.346 1.00 0.00 C ATOM 116 CG LYS A 8 -0.637 11.503 -3.846 1.00 0.00 C ATOM 117 CD LYS A 8 -0.791 10.537 -2.663 1.00 0.00 C ATOM 118 CE LYS A 8 -1.316 9.194 -3.172 1.00 0.00 C ATOM 119 NZ LYS A 8 -0.170 8.355 -3.624 1.00 0.00 N ATOM 0 H LYS A 8 -4.168 12.251 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.414 12.495 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.229 12.953 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.790 11.300 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.080 11.023 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.066 12.380 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.168 10.400 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.478 10.953 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.866 8.683 -2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.013 9.352 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.525 7.441 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.337 8.843 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.479 8.195 -2.827 1.00 0.00 H new ATOM 133 N LEU A 9 -2.800 9.539 -6.427 1.00 0.00 N ATOM 134 CA LEU A 9 -2.577 8.129 -6.856 1.00 0.00 C ATOM 135 C LEU A 9 -2.191 8.086 -8.338 1.00 0.00 C ATOM 136 O LEU A 9 -1.232 7.440 -8.716 1.00 0.00 O ATOM 137 CB LEU A 9 -3.874 7.346 -6.641 1.00 0.00 C ATOM 138 CG LEU A 9 -3.676 5.882 -7.029 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.858 5.173 -5.944 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.052 5.227 -7.180 1.00 0.00 C ATOM 0 H LEU A 9 -3.771 9.776 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.769 7.689 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.180 7.415 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.675 7.783 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.136 5.807 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.716 4.128 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.887 5.658 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.389 5.228 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.928 4.180 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.591 5.291 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.618 5.743 -7.956 1.00 0.00 H new ATOM 152 N TRP A 10 -2.942 8.758 -9.176 1.00 0.00 N ATOM 153 CA TRP A 10 -2.637 8.758 -10.634 1.00 0.00 C ATOM 154 C TRP A 10 -1.641 9.875 -10.934 1.00 0.00 C ATOM 155 O TRP A 10 -1.969 10.899 -11.503 1.00 0.00 O ATOM 156 CB TRP A 10 -3.931 8.961 -11.423 1.00 0.00 C ATOM 157 CG TRP A 10 -4.873 7.833 -11.117 1.00 0.00 C ATOM 158 CD1 TRP A 10 -4.534 6.521 -11.072 1.00 0.00 C ATOM 159 CD2 TRP A 10 -6.294 7.894 -10.810 1.00 0.00 C ATOM 160 NE1 TRP A 10 -5.658 5.780 -10.754 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.766 6.578 -10.587 1.00 0.00 C ATOM 162 CE3 TRP A 10 -7.213 8.950 -10.706 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -8.099 6.321 -10.271 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -8.555 8.693 -10.388 1.00 0.00 C ATOM 165 CH2 TRP A 10 -8.998 7.383 -10.171 1.00 0.00 C ATOM 0 H TRP A 10 -3.757 9.309 -8.907 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.198 7.805 -10.928 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.387 9.915 -11.158 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.719 8.995 -12.492 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.548 6.120 -11.255 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.664 4.765 -10.655 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -6.885 9.966 -10.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.433 5.308 -10.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.253 9.514 -10.310 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.033 7.195 -9.927 1.00 0.00 H new ATOM 176 N SER A 11 -0.422 9.664 -10.538 1.00 0.00 N ATOM 177 CA SER A 11 0.659 10.662 -10.752 1.00 0.00 C ATOM 178 C SER A 11 1.944 10.031 -10.227 1.00 0.00 C ATOM 179 O SER A 11 2.991 10.101 -10.836 1.00 0.00 O ATOM 180 CB SER A 11 0.349 11.938 -9.971 1.00 0.00 C ATOM 181 OG SER A 11 0.371 11.651 -8.579 1.00 0.00 O ATOM 0 H SER A 11 -0.120 8.815 -10.060 1.00 0.00 H new ATOM 0 HA SER A 11 0.751 10.925 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.081 12.710 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.628 12.327 -10.259 1.00 0.00 H new ATOM 0 HG SER A 11 -0.245 10.914 -8.387 1.00 0.00 H new ATOM 187 N MET A 12 1.834 9.377 -9.101 1.00 0.00 N ATOM 188 CA MET A 12 2.990 8.674 -8.498 1.00 0.00 C ATOM 189 C MET A 12 3.027 7.255 -9.081 1.00 0.00 C ATOM 190 O MET A 12 4.081 6.693 -9.313 1.00 0.00 O ATOM 191 CB MET A 12 2.783 8.621 -6.977 1.00 0.00 C ATOM 192 CG MET A 12 3.865 7.762 -6.319 1.00 0.00 C ATOM 193 SD MET A 12 3.239 6.081 -6.052 1.00 0.00 S ATOM 194 CE MET A 12 2.385 6.392 -4.486 1.00 0.00 C ATOM 0 H MET A 12 0.968 9.303 -8.566 1.00 0.00 H new ATOM 0 HA MET A 12 3.929 9.185 -8.712 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.810 9.630 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.798 8.211 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.753 7.733 -6.951 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.164 8.203 -5.368 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.982 6.002 -3.662 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.244 7.465 -4.356 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.414 5.897 -4.496 1.00 0.00 H new ATOM 204 N VAL A 13 1.872 6.681 -9.320 1.00 0.00 N ATOM 205 CA VAL A 13 1.814 5.303 -9.892 1.00 0.00 C ATOM 206 C VAL A 13 2.151 5.365 -11.381 1.00 0.00 C ATOM 207 O VAL A 13 3.043 4.685 -11.854 1.00 0.00 O ATOM 208 CB VAL A 13 0.405 4.732 -9.713 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.385 3.270 -10.163 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.005 4.817 -8.239 1.00 0.00 C ATOM 0 H VAL A 13 0.965 7.111 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 13 2.531 4.663 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.299 5.306 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.618 2.864 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.671 3.209 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.089 2.695 -9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.998 4.411 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.709 4.243 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.019 5.859 -7.918 1.00 0.00 H new ATOM 220 N ASN A 14 1.443 6.181 -12.120 1.00 0.00 N ATOM 221 CA ASN A 14 1.712 6.307 -13.581 1.00 0.00 C ATOM 222 C ASN A 14 2.753 7.411 -13.797 1.00 0.00 C ATOM 223 O ASN A 14 2.476 8.436 -14.393 1.00 0.00 O ATOM 224 CB ASN A 14 0.411 6.665 -14.304 1.00 0.00 C ATOM 225 CG ASN A 14 0.387 5.992 -15.676 1.00 0.00 C ATOM 226 OD1 ASN A 14 -0.630 5.475 -16.095 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.474 5.972 -16.399 1.00 0.00 N ATOM 0 H ASN A 14 0.686 6.768 -11.770 1.00 0.00 H new ATOM 0 HA ASN A 14 2.092 5.366 -13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.446 6.341 -13.714 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.331 7.746 -14.416 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.469 5.523 -17.315 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.328 6.406 -16.048 1.00 0.00 H new ATOM 234 N ASP A 15 3.947 7.209 -13.299 1.00 0.00 N ATOM 235 CA ASP A 15 5.012 8.243 -13.449 1.00 0.00 C ATOM 236 C ASP A 15 6.269 7.611 -14.047 1.00 0.00 C ATOM 237 O ASP A 15 6.552 6.449 -13.827 1.00 0.00 O ATOM 238 CB ASP A 15 5.348 8.817 -12.067 1.00 0.00 C ATOM 239 CG ASP A 15 5.568 10.330 -12.177 1.00 0.00 C ATOM 240 OD1 ASP A 15 6.039 10.767 -13.213 1.00 0.00 O ATOM 241 OD2 ASP A 15 5.267 11.022 -11.219 1.00 0.00 O ATOM 0 H ASP A 15 4.229 6.369 -12.794 1.00 0.00 H new ATOM 0 HA ASP A 15 4.658 9.035 -14.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.538 8.607 -11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.243 8.337 -11.671 1.00 0.00 H new ATOM 246 N LYS A 16 7.037 8.376 -14.784 1.00 0.00 N ATOM 247 CA LYS A 16 8.293 7.828 -15.379 1.00 0.00 C ATOM 248 C LYS A 16 9.231 7.396 -14.251 1.00 0.00 C ATOM 249 O LYS A 16 10.020 6.482 -14.406 1.00 0.00 O ATOM 250 CB LYS A 16 8.972 8.896 -16.243 1.00 0.00 C ATOM 251 CG LYS A 16 9.119 10.199 -15.451 1.00 0.00 C ATOM 252 CD LYS A 16 10.386 10.927 -15.906 1.00 0.00 C ATOM 253 CE LYS A 16 10.187 11.469 -17.325 1.00 0.00 C ATOM 254 NZ LYS A 16 11.294 12.411 -17.668 1.00 0.00 N ATOM 0 H LYS A 16 6.848 9.355 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 16 8.056 6.970 -16.007 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.952 8.545 -16.565 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.385 9.073 -17.144 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.246 10.833 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.172 9.985 -14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.613 11.745 -15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.237 10.246 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.164 10.645 -18.039 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.227 11.980 -17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.154 12.775 -18.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.296 13.204 -16.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.204 11.911 -17.616 1.00 0.00 H new ATOM 268 N SER A 17 9.132 8.033 -13.110 1.00 0.00 N ATOM 269 CA SER A 17 9.992 7.649 -11.959 1.00 0.00 C ATOM 270 C SER A 17 9.316 6.493 -11.224 1.00 0.00 C ATOM 271 O SER A 17 8.140 6.240 -11.406 1.00 0.00 O ATOM 272 CB SER A 17 10.148 8.842 -11.014 1.00 0.00 C ATOM 273 OG SER A 17 8.906 9.102 -10.376 1.00 0.00 O ATOM 0 H SER A 17 8.489 8.804 -12.930 1.00 0.00 H new ATOM 0 HA SER A 17 10.979 7.347 -12.308 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.916 8.632 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.475 9.721 -11.570 1.00 0.00 H new ATOM 0 HG SER A 17 9.004 9.865 -9.769 1.00 0.00 H new ATOM 279 N ASN A 18 10.046 5.780 -10.405 1.00 0.00 N ATOM 280 CA ASN A 18 9.448 4.622 -9.658 1.00 0.00 C ATOM 281 C ASN A 18 8.829 3.628 -10.658 1.00 0.00 C ATOM 282 O ASN A 18 7.955 2.859 -10.309 1.00 0.00 O ATOM 283 CB ASN A 18 8.345 5.081 -8.665 1.00 0.00 C ATOM 284 CG ASN A 18 8.393 6.594 -8.397 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.438 7.141 -8.104 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.291 7.291 -8.489 1.00 0.00 N ATOM 0 H ASN A 18 11.035 5.947 -10.218 1.00 0.00 H new ATOM 0 HA ASN A 18 10.249 4.150 -9.089 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.366 4.816 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.461 4.544 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.307 8.296 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.415 6.830 -8.735 1.00 0.00 H new ATOM 293 N GLU A 19 9.263 3.646 -11.898 1.00 0.00 N ATOM 294 CA GLU A 19 8.686 2.712 -12.911 1.00 0.00 C ATOM 295 C GLU A 19 9.050 1.266 -12.566 1.00 0.00 C ATOM 296 O GLU A 19 8.317 0.345 -12.875 1.00 0.00 O ATOM 297 CB GLU A 19 9.244 3.056 -14.293 1.00 0.00 C ATOM 298 CG GLU A 19 8.478 2.274 -15.361 1.00 0.00 C ATOM 299 CD GLU A 19 8.575 3.010 -16.698 1.00 0.00 C ATOM 300 OE1 GLU A 19 7.966 4.061 -16.815 1.00 0.00 O ATOM 301 OE2 GLU A 19 9.255 2.513 -17.578 1.00 0.00 O ATOM 0 H GLU A 19 9.991 4.268 -12.249 1.00 0.00 H new ATOM 0 HA GLU A 19 7.601 2.816 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.155 4.127 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.305 2.812 -14.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.889 1.269 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.434 2.165 -15.068 1.00 0.00 H new ATOM 308 N LYS A 20 10.180 1.060 -11.940 1.00 0.00 N ATOM 309 CA LYS A 20 10.601 -0.331 -11.585 1.00 0.00 C ATOM 310 C LYS A 20 10.140 -0.701 -10.166 1.00 0.00 C ATOM 311 O LYS A 20 10.526 -1.730 -9.640 1.00 0.00 O ATOM 312 CB LYS A 20 12.128 -0.440 -11.675 1.00 0.00 C ATOM 313 CG LYS A 20 12.792 0.545 -10.701 1.00 0.00 C ATOM 314 CD LYS A 20 13.979 1.227 -11.389 1.00 0.00 C ATOM 315 CE LYS A 20 15.267 0.453 -11.093 1.00 0.00 C ATOM 316 NZ LYS A 20 15.750 -0.195 -12.344 1.00 0.00 N ATOM 0 H LYS A 20 10.830 1.794 -11.659 1.00 0.00 H new ATOM 0 HA LYS A 20 10.137 -1.023 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.441 -1.458 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.455 -0.231 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.069 1.293 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.130 0.018 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.810 1.272 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.073 2.255 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.029 1.128 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.084 -0.300 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.625 -0.722 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.024 -0.850 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.939 0.534 -13.062 1.00 0.00 H new ATOM 330 N PHE A 21 9.327 0.117 -9.540 1.00 0.00 N ATOM 331 CA PHE A 21 8.858 -0.205 -8.160 1.00 0.00 C ATOM 332 C PHE A 21 7.323 -0.154 -8.073 1.00 0.00 C ATOM 333 O PHE A 21 6.751 -0.519 -7.062 1.00 0.00 O ATOM 334 CB PHE A 21 9.465 0.799 -7.178 1.00 0.00 C ATOM 335 CG PHE A 21 10.970 0.666 -7.197 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.566 -0.575 -6.940 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.770 1.781 -7.475 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.959 -0.702 -6.962 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.165 1.654 -7.496 1.00 0.00 C ATOM 340 CZ PHE A 21 13.759 0.412 -7.240 1.00 0.00 C ATOM 0 H PHE A 21 8.970 0.991 -9.926 1.00 0.00 H new ATOM 0 HA PHE A 21 9.178 -1.216 -7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.174 1.814 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.085 0.618 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.949 -1.435 -6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.312 2.739 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.417 -1.660 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.782 2.514 -7.710 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.834 0.314 -7.257 1.00 0.00 H new ATOM 350 N ILE A 22 6.645 0.283 -9.114 1.00 0.00 N ATOM 351 CA ILE A 22 5.152 0.338 -9.064 1.00 0.00 C ATOM 352 C ILE A 22 4.598 0.625 -10.466 1.00 0.00 C ATOM 353 O ILE A 22 4.937 1.616 -11.085 1.00 0.00 O ATOM 354 CB ILE A 22 4.710 1.436 -8.081 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.185 1.415 -7.948 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.160 2.817 -8.579 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.763 2.321 -6.791 1.00 0.00 C ATOM 0 H ILE A 22 7.062 0.601 -9.989 1.00 0.00 H new ATOM 0 HA ILE A 22 4.763 -0.621 -8.722 1.00 0.00 H new ATOM 0 HB ILE A 22 5.170 1.246 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.723 1.753 -8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.838 0.397 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.839 3.581 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.246 2.836 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.715 3.015 -9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.677 2.307 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.214 1.963 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.097 3.340 -6.986 1.00 0.00 H new ATOM 369 N HIS A 23 3.746 -0.236 -10.965 1.00 0.00 N ATOM 370 CA HIS A 23 3.162 -0.021 -12.321 1.00 0.00 C ATOM 371 C HIS A 23 1.771 -0.653 -12.389 1.00 0.00 C ATOM 372 O HIS A 23 1.279 -1.203 -11.420 1.00 0.00 O ATOM 373 CB HIS A 23 4.067 -0.658 -13.381 1.00 0.00 C ATOM 374 CG HIS A 23 4.292 -2.114 -13.062 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.207 -2.884 -13.760 1.00 0.00 N ATOM 376 CD2 HIS A 23 3.732 -2.952 -12.128 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.175 -4.124 -13.240 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.291 -4.221 -12.243 1.00 0.00 N ATOM 0 H HIS A 23 3.430 -1.081 -10.488 1.00 0.00 H new ATOM 0 HA HIS A 23 3.082 1.049 -12.511 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.611 -0.560 -14.366 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.022 -0.134 -13.418 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.798 -2.568 -14.529 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.973 -2.669 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.789 -4.942 -13.586 1.00 0.00 H new ATOM 386 N TRP A 24 1.134 -0.574 -13.528 1.00 0.00 N ATOM 387 CA TRP A 24 -0.228 -1.162 -13.675 1.00 0.00 C ATOM 388 C TRP A 24 -0.103 -2.657 -13.973 1.00 0.00 C ATOM 389 O TRP A 24 0.917 -3.119 -14.449 1.00 0.00 O ATOM 390 CB TRP A 24 -0.961 -0.464 -14.828 1.00 0.00 C ATOM 391 CG TRP A 24 -1.304 0.959 -14.468 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.705 1.711 -13.506 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.320 1.812 -15.069 1.00 0.00 C ATOM 394 NE1 TRP A 24 -1.294 2.961 -13.483 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.294 3.072 -14.427 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.255 1.611 -16.100 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.164 4.098 -14.797 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.132 2.641 -16.475 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.086 3.882 -15.825 1.00 0.00 C ATOM 0 H TRP A 24 1.502 -0.125 -14.367 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.791 -1.023 -12.752 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.336 -0.476 -15.721 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.872 -1.012 -15.069 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.100 1.384 -12.864 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.023 3.710 -12.846 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.299 0.658 -16.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.125 5.052 -14.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.846 2.476 -17.268 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.763 4.671 -16.118 1.00 0.00 H new ATOM 410 N SER A 25 -1.132 -3.417 -13.692 1.00 0.00 N ATOM 411 CA SER A 25 -1.075 -4.886 -13.950 1.00 0.00 C ATOM 412 C SER A 25 -1.203 -5.160 -15.453 1.00 0.00 C ATOM 413 O SER A 25 -0.221 -5.413 -16.126 1.00 0.00 O ATOM 414 CB SER A 25 -2.210 -5.581 -13.197 1.00 0.00 C ATOM 415 OG SER A 25 -1.849 -5.722 -11.831 1.00 0.00 O ATOM 0 H SER A 25 -2.010 -3.082 -13.295 1.00 0.00 H new ATOM 0 HA SER A 25 -0.118 -5.275 -13.601 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.129 -5.001 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.408 -6.559 -13.636 1.00 0.00 H new ATOM 0 HG SER A 25 -2.488 -6.315 -11.383 1.00 0.00 H new ATOM 421 N THR A 26 -2.402 -5.123 -15.983 1.00 0.00 N ATOM 422 CA THR A 26 -2.589 -5.393 -17.439 1.00 0.00 C ATOM 423 C THR A 26 -3.916 -4.794 -17.910 1.00 0.00 C ATOM 424 O THR A 26 -3.945 -3.919 -18.754 1.00 0.00 O ATOM 425 CB THR A 26 -2.604 -6.908 -17.670 1.00 0.00 C ATOM 426 OG1 THR A 26 -1.434 -7.483 -17.103 1.00 0.00 O ATOM 427 CG2 THR A 26 -2.647 -7.211 -19.173 1.00 0.00 C ATOM 0 H THR A 26 -3.258 -4.917 -15.468 1.00 0.00 H new ATOM 0 HA THR A 26 -1.772 -4.941 -18.001 1.00 0.00 H new ATOM 0 HB THR A 26 -3.489 -7.333 -17.197 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.730 -6.804 -17.047 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.657 -8.290 -19.326 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.547 -6.774 -19.607 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.768 -6.784 -19.655 1.00 0.00 H new ATOM 435 N SER A 27 -5.012 -5.265 -17.373 1.00 0.00 N ATOM 436 CA SER A 27 -6.345 -4.736 -17.785 1.00 0.00 C ATOM 437 C SER A 27 -6.540 -3.307 -17.264 1.00 0.00 C ATOM 438 O SER A 27 -7.460 -2.618 -17.667 1.00 0.00 O ATOM 439 CB SER A 27 -7.443 -5.633 -17.216 1.00 0.00 C ATOM 440 OG SER A 27 -7.031 -6.991 -17.306 1.00 0.00 O ATOM 0 H SER A 27 -5.040 -5.997 -16.663 1.00 0.00 H new ATOM 0 HA SER A 27 -6.397 -4.725 -18.874 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.643 -5.369 -16.177 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.372 -5.485 -17.767 1.00 0.00 H new ATOM 0 HG SER A 27 -7.732 -7.570 -16.940 1.00 0.00 H new ATOM 446 N GLY A 28 -5.692 -2.853 -16.370 1.00 0.00 N ATOM 447 CA GLY A 28 -5.841 -1.471 -15.828 1.00 0.00 C ATOM 448 C GLY A 28 -6.556 -1.534 -14.480 1.00 0.00 C ATOM 449 O GLY A 28 -7.019 -2.580 -14.063 1.00 0.00 O ATOM 0 H GLY A 28 -4.905 -3.382 -15.995 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.862 -1.005 -15.712 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.407 -0.853 -16.525 1.00 0.00 H new ATOM 453 N GLU A 29 -6.645 -0.425 -13.790 1.00 0.00 N ATOM 454 CA GLU A 29 -7.326 -0.409 -12.459 1.00 0.00 C ATOM 455 C GLU A 29 -6.662 -1.425 -11.515 1.00 0.00 C ATOM 456 O GLU A 29 -7.263 -1.876 -10.559 1.00 0.00 O ATOM 457 CB GLU A 29 -8.803 -0.771 -12.636 1.00 0.00 C ATOM 458 CG GLU A 29 -9.582 0.461 -13.104 1.00 0.00 C ATOM 459 CD GLU A 29 -9.475 0.592 -14.624 1.00 0.00 C ATOM 460 OE1 GLU A 29 -10.173 -0.136 -15.311 1.00 0.00 O ATOM 461 OE2 GLU A 29 -8.698 1.418 -15.075 1.00 0.00 O ATOM 0 H GLU A 29 -6.273 0.475 -14.093 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.241 0.589 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.906 -1.576 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.213 -1.137 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.628 0.375 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.188 1.357 -12.624 1.00 0.00 H new ATOM 468 N SER A 30 -5.429 -1.781 -11.779 1.00 0.00 N ATOM 469 CA SER A 30 -4.722 -2.758 -10.901 1.00 0.00 C ATOM 470 C SER A 30 -3.280 -2.291 -10.700 1.00 0.00 C ATOM 471 O SER A 30 -2.690 -1.690 -11.579 1.00 0.00 O ATOM 472 CB SER A 30 -4.732 -4.140 -11.559 1.00 0.00 C ATOM 473 OG SER A 30 -5.899 -4.843 -11.154 1.00 0.00 O ATOM 0 H SER A 30 -4.882 -1.435 -12.567 1.00 0.00 H new ATOM 0 HA SER A 30 -5.225 -2.821 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.712 -4.039 -12.644 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.840 -4.698 -11.274 1.00 0.00 H new ATOM 0 HG SER A 30 -6.644 -4.214 -11.061 1.00 0.00 H new ATOM 479 N ILE A 31 -2.713 -2.553 -9.550 1.00 0.00 N ATOM 480 CA ILE A 31 -1.311 -2.112 -9.289 1.00 0.00 C ATOM 481 C ILE A 31 -0.470 -3.298 -8.812 1.00 0.00 C ATOM 482 O ILE A 31 -0.982 -4.254 -8.259 1.00 0.00 O ATOM 483 CB ILE A 31 -1.316 -1.023 -8.211 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.229 0.124 -8.653 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.104 -0.489 -8.007 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.399 1.125 -7.505 1.00 0.00 C ATOM 0 H ILE A 31 -3.160 -3.053 -8.782 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.881 -1.718 -10.210 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.681 -1.445 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.804 0.624 -9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.201 -0.268 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.095 0.285 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.757 -1.303 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.472 -0.068 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.050 1.939 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.843 0.622 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.425 1.527 -7.226 1.00 0.00 H new ATOM 498 N VAL A 32 0.820 -3.235 -9.021 1.00 0.00 N ATOM 499 CA VAL A 32 1.716 -4.342 -8.582 1.00 0.00 C ATOM 500 C VAL A 32 2.944 -3.748 -7.883 1.00 0.00 C ATOM 501 O VAL A 32 3.261 -2.587 -8.055 1.00 0.00 O ATOM 502 CB VAL A 32 2.158 -5.154 -9.802 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.953 -6.378 -9.343 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.923 -5.614 -10.581 1.00 0.00 C ATOM 0 H VAL A 32 1.293 -2.457 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 32 1.184 -4.995 -7.890 1.00 0.00 H new ATOM 0 HB VAL A 32 2.785 -4.533 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.267 -6.955 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.832 -6.053 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.327 -6.999 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.236 -6.192 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.298 -6.234 -9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.355 -4.744 -10.910 1.00 0.00 H new ATOM 514 N VAL A 33 3.629 -4.536 -7.094 1.00 0.00 N ATOM 515 CA VAL A 33 4.835 -4.025 -6.375 1.00 0.00 C ATOM 516 C VAL A 33 5.911 -5.118 -6.344 1.00 0.00 C ATOM 517 O VAL A 33 5.955 -5.906 -5.418 1.00 0.00 O ATOM 518 CB VAL A 33 4.452 -3.647 -4.941 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.648 -2.996 -4.244 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.281 -2.662 -4.969 1.00 0.00 C ATOM 0 H VAL A 33 3.404 -5.515 -6.916 1.00 0.00 H new ATOM 0 HA VAL A 33 5.222 -3.147 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 33 4.161 -4.545 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.373 -2.728 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.482 -3.697 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.942 -2.099 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.008 -2.392 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.573 -1.765 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.427 -3.126 -5.463 1.00 0.00 H new ATOM 530 N PRO A 34 6.748 -5.136 -7.361 1.00 0.00 N ATOM 531 CA PRO A 34 7.806 -6.175 -7.381 1.00 0.00 C ATOM 532 C PRO A 34 8.776 -5.975 -6.210 1.00 0.00 C ATOM 533 O PRO A 34 9.428 -6.902 -5.769 1.00 0.00 O ATOM 534 CB PRO A 34 8.520 -5.980 -8.717 1.00 0.00 C ATOM 535 CG PRO A 34 8.248 -4.526 -9.143 1.00 0.00 C ATOM 536 CD PRO A 34 7.007 -4.066 -8.362 1.00 0.00 C ATOM 0 HA PRO A 34 7.400 -7.181 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.590 -6.162 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.146 -6.681 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.104 -3.890 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.075 -4.463 -10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.183 -3.107 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.152 -3.934 -9.026 1.00 0.00 H new ATOM 544 N ASN A 35 8.872 -4.769 -5.704 1.00 0.00 N ATOM 545 CA ASN A 35 9.793 -4.500 -4.561 1.00 0.00 C ATOM 546 C ASN A 35 9.209 -3.382 -3.695 1.00 0.00 C ATOM 547 O ASN A 35 9.455 -2.213 -3.930 1.00 0.00 O ATOM 548 CB ASN A 35 11.158 -4.070 -5.099 1.00 0.00 C ATOM 549 CG ASN A 35 11.955 -5.307 -5.517 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.210 -6.182 -4.713 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.361 -5.420 -6.752 1.00 0.00 N ATOM 0 H ASN A 35 8.349 -3.959 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 35 9.908 -5.403 -3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.031 -3.401 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.703 -3.514 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.891 -6.242 -7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.148 -4.687 -7.428 1.00 0.00 H new ATOM 558 N ARG A 36 8.438 -3.731 -2.695 1.00 0.00 N ATOM 559 CA ARG A 36 7.836 -2.691 -1.810 1.00 0.00 C ATOM 560 C ARG A 36 8.899 -2.168 -0.839 1.00 0.00 C ATOM 561 O ARG A 36 8.836 -1.038 -0.391 1.00 0.00 O ATOM 562 CB ARG A 36 6.675 -3.299 -1.018 1.00 0.00 C ATOM 563 CG ARG A 36 5.813 -2.178 -0.429 1.00 0.00 C ATOM 564 CD ARG A 36 4.520 -2.770 0.136 1.00 0.00 C ATOM 565 NE ARG A 36 3.580 -1.668 0.486 1.00 0.00 N ATOM 566 CZ ARG A 36 2.483 -1.932 1.142 1.00 0.00 C ATOM 567 NH1 ARG A 36 2.527 -2.132 2.431 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.342 -1.995 0.511 1.00 0.00 N ATOM 0 H ARG A 36 8.200 -4.693 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 36 7.465 -1.868 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.071 -3.933 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.059 -3.934 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.361 -1.658 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.582 -1.441 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.061 -3.435 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.738 -3.371 1.019 1.00 0.00 H new ATOM 0 HE ARG A 36 3.794 -0.709 0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.418 -2.082 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.670 -2.338 2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.307 -1.838 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.486 -2.201 1.025 1.00 0.00 H new ATOM 582 N GLU A 37 9.872 -2.981 -0.511 1.00 0.00 N ATOM 583 CA GLU A 37 10.941 -2.539 0.432 1.00 0.00 C ATOM 584 C GLU A 37 11.701 -1.349 -0.162 1.00 0.00 C ATOM 585 O GLU A 37 11.988 -0.385 0.521 1.00 0.00 O ATOM 586 CB GLU A 37 11.915 -3.696 0.674 1.00 0.00 C ATOM 587 CG GLU A 37 12.861 -3.334 1.821 1.00 0.00 C ATOM 588 CD GLU A 37 12.168 -3.600 3.158 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.180 -2.938 3.433 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.636 -4.461 3.884 1.00 0.00 O ATOM 0 H GLU A 37 9.971 -3.935 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 37 10.486 -2.238 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.364 -4.605 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.486 -3.901 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.776 -3.922 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.149 -2.285 1.751 1.00 0.00 H new ATOM 597 N ARG A 38 12.030 -1.412 -1.428 1.00 0.00 N ATOM 598 CA ARG A 38 12.775 -0.287 -2.070 1.00 0.00 C ATOM 599 C ARG A 38 11.790 0.811 -2.490 1.00 0.00 C ATOM 600 O ARG A 38 12.137 1.976 -2.547 1.00 0.00 O ATOM 601 CB ARG A 38 13.530 -0.815 -3.301 1.00 0.00 C ATOM 602 CG ARG A 38 15.041 -0.665 -3.087 1.00 0.00 C ATOM 603 CD ARG A 38 15.541 0.589 -3.809 1.00 0.00 C ATOM 604 NE ARG A 38 17.020 0.512 -3.979 1.00 0.00 N ATOM 605 CZ ARG A 38 17.791 1.378 -3.384 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.553 2.656 -3.503 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.804 0.968 -2.668 1.00 0.00 N ATOM 0 H ARG A 38 11.814 -2.195 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 38 13.489 0.131 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.280 -1.862 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.223 -0.265 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.262 -0.596 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.561 -1.546 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.057 0.678 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.276 1.479 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 38 17.429 -0.219 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.763 2.978 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.157 3.333 -3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.992 -0.030 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.407 1.646 -2.203 1.00 0.00 H new ATOM 621 N PHE A 39 10.562 0.448 -2.779 1.00 0.00 N ATOM 622 CA PHE A 39 9.543 1.465 -3.189 1.00 0.00 C ATOM 623 C PHE A 39 9.407 2.517 -2.077 1.00 0.00 C ATOM 624 O PHE A 39 9.740 3.673 -2.255 1.00 0.00 O ATOM 625 CB PHE A 39 8.196 0.746 -3.428 1.00 0.00 C ATOM 626 CG PHE A 39 7.050 1.737 -3.522 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.804 2.416 -4.720 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.239 1.970 -2.405 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.743 3.327 -4.801 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.180 2.881 -2.486 1.00 0.00 C ATOM 631 CZ PHE A 39 4.932 3.560 -3.685 1.00 0.00 C ATOM 0 H PHE A 39 10.221 -0.513 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 39 9.847 1.966 -4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.251 0.162 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.007 0.044 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.431 2.238 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.431 1.446 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.551 3.850 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.554 3.060 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.115 4.263 -3.748 1.00 0.00 H new ATOM 641 N VAL A 40 8.918 2.112 -0.933 1.00 0.00 N ATOM 642 CA VAL A 40 8.744 3.063 0.209 1.00 0.00 C ATOM 643 C VAL A 40 10.050 3.821 0.477 1.00 0.00 C ATOM 644 O VAL A 40 10.045 5.005 0.750 1.00 0.00 O ATOM 645 CB VAL A 40 8.361 2.269 1.465 1.00 0.00 C ATOM 646 CG1 VAL A 40 8.029 3.234 2.603 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.138 1.395 1.172 1.00 0.00 C ATOM 0 H VAL A 40 8.629 1.153 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 40 7.962 3.780 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 40 9.200 1.636 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.757 2.667 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.899 3.855 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.194 3.870 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.870 0.833 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.301 2.028 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.372 0.701 0.364 1.00 0.00 H new ATOM 657 N GLN A 41 11.160 3.134 0.407 1.00 0.00 N ATOM 658 CA GLN A 41 12.488 3.773 0.673 1.00 0.00 C ATOM 659 C GLN A 41 12.667 5.079 -0.117 1.00 0.00 C ATOM 660 O GLN A 41 12.901 6.124 0.459 1.00 0.00 O ATOM 661 CB GLN A 41 13.603 2.796 0.285 1.00 0.00 C ATOM 662 CG GLN A 41 13.874 1.822 1.444 1.00 0.00 C ATOM 663 CD GLN A 41 15.265 2.078 2.031 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.551 3.163 2.497 1.00 0.00 O ATOM 665 NE2 GLN A 41 16.147 1.114 2.030 1.00 0.00 N ATOM 0 H GLN A 41 11.206 2.142 0.173 1.00 0.00 H new ATOM 0 HA GLN A 41 12.536 4.014 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.317 2.241 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.512 3.346 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.116 1.945 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.804 0.794 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.907 0.203 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.076 1.272 2.421 1.00 0.00 H new ATOM 674 N GLU A 42 12.595 5.026 -1.426 1.00 0.00 N ATOM 675 CA GLU A 42 12.803 6.268 -2.234 1.00 0.00 C ATOM 676 C GLU A 42 11.547 6.626 -3.039 1.00 0.00 C ATOM 677 O GLU A 42 11.639 7.055 -4.175 1.00 0.00 O ATOM 678 CB GLU A 42 13.975 6.046 -3.194 1.00 0.00 C ATOM 679 CG GLU A 42 15.209 5.613 -2.399 1.00 0.00 C ATOM 680 CD GLU A 42 16.473 6.087 -3.118 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.560 5.884 -4.318 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.332 6.646 -2.455 1.00 0.00 O ATOM 0 H GLU A 42 12.403 4.182 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 42 13.017 7.093 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.717 5.284 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.187 6.962 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.172 6.031 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.224 4.528 -2.293 1.00 0.00 H new ATOM 689 N VAL A 43 10.378 6.473 -2.464 1.00 0.00 N ATOM 690 CA VAL A 43 9.130 6.828 -3.216 1.00 0.00 C ATOM 691 C VAL A 43 8.019 7.277 -2.256 1.00 0.00 C ATOM 692 O VAL A 43 7.254 8.169 -2.573 1.00 0.00 O ATOM 693 CB VAL A 43 8.634 5.628 -4.031 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.532 6.096 -4.984 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.790 5.037 -4.847 1.00 0.00 C ATOM 0 H VAL A 43 10.233 6.122 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 43 9.373 7.650 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 43 8.247 4.866 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.173 5.249 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.707 6.516 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.930 6.857 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.430 4.185 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.181 5.795 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.582 4.710 -4.173 1.00 0.00 H new ATOM 705 N LEU A 44 7.904 6.664 -1.100 1.00 0.00 N ATOM 706 CA LEU A 44 6.819 7.059 -0.147 1.00 0.00 C ATOM 707 C LEU A 44 7.068 8.478 0.408 1.00 0.00 C ATOM 708 O LEU A 44 6.174 9.303 0.371 1.00 0.00 O ATOM 709 CB LEU A 44 6.755 6.043 1.002 1.00 0.00 C ATOM 710 CG LEU A 44 5.605 6.392 1.953 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.272 5.986 1.317 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.794 5.639 3.275 1.00 0.00 C ATOM 0 H LEU A 44 8.512 5.911 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 44 5.867 7.066 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.614 5.039 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.699 6.039 1.547 1.00 0.00 H new ATOM 0 HG LEU A 44 5.601 7.465 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.455 6.235 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.140 6.521 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.272 4.913 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.977 5.885 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.797 4.566 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.742 5.930 3.727 1.00 0.00 H new ATOM 724 N PRO A 45 8.261 8.719 0.918 1.00 0.00 N ATOM 725 CA PRO A 45 8.520 10.073 1.478 1.00 0.00 C ATOM 726 C PRO A 45 8.621 11.125 0.364 1.00 0.00 C ATOM 727 O PRO A 45 8.523 12.311 0.619 1.00 0.00 O ATOM 728 CB PRO A 45 9.859 9.945 2.201 1.00 0.00 C ATOM 729 CG PRO A 45 10.582 8.752 1.559 1.00 0.00 C ATOM 730 CD PRO A 45 9.497 7.892 0.892 1.00 0.00 C ATOM 0 HA PRO A 45 7.714 10.397 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.446 10.857 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.711 9.781 3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.314 9.091 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.125 8.178 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.775 7.634 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.353 6.955 1.430 1.00 0.00 H new ATOM 738 N LYS A 46 8.831 10.707 -0.861 1.00 0.00 N ATOM 739 CA LYS A 46 8.954 11.689 -1.979 1.00 0.00 C ATOM 740 C LYS A 46 7.627 12.429 -2.198 1.00 0.00 C ATOM 741 O LYS A 46 7.587 13.441 -2.874 1.00 0.00 O ATOM 742 CB LYS A 46 9.350 10.945 -3.265 1.00 0.00 C ATOM 743 CG LYS A 46 10.568 11.624 -3.900 1.00 0.00 C ATOM 744 CD LYS A 46 11.777 11.493 -2.965 1.00 0.00 C ATOM 745 CE LYS A 46 12.569 12.804 -2.956 1.00 0.00 C ATOM 746 NZ LYS A 46 13.662 12.733 -3.967 1.00 0.00 N ATOM 0 H LYS A 46 8.922 9.728 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 46 9.720 12.422 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.579 9.904 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.516 10.942 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.790 11.167 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.353 12.676 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.444 11.252 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.416 10.673 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.908 13.642 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.987 12.982 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.199 13.623 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.298 11.943 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.252 12.583 -4.911 1.00 0.00 H new ATOM 760 N TYR A 47 6.542 11.937 -1.648 1.00 0.00 N ATOM 761 CA TYR A 47 5.229 12.620 -1.846 1.00 0.00 C ATOM 762 C TYR A 47 4.630 13.016 -0.495 1.00 0.00 C ATOM 763 O TYR A 47 4.180 14.133 -0.314 1.00 0.00 O ATOM 764 CB TYR A 47 4.274 11.672 -2.572 1.00 0.00 C ATOM 765 CG TYR A 47 4.743 11.490 -3.995 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.719 10.530 -4.296 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.203 12.284 -5.015 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.154 10.367 -5.617 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.641 12.121 -6.335 1.00 0.00 C ATOM 770 CZ TYR A 47 5.616 11.163 -6.636 1.00 0.00 C ATOM 771 OH TYR A 47 6.046 11.005 -7.937 1.00 0.00 O ATOM 0 H TYR A 47 6.511 11.095 -1.073 1.00 0.00 H new ATOM 0 HA TYR A 47 5.380 13.521 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.240 10.709 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.262 12.076 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.135 9.917 -3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.449 13.022 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.905 9.627 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.226 12.735 -7.121 1.00 0.00 H new ATOM 0 HH TYR A 47 5.570 11.635 -8.518 1.00 0.00 H new ATOM 781 N PHE A 48 4.616 12.112 0.450 1.00 0.00 N ATOM 782 CA PHE A 48 4.039 12.432 1.790 1.00 0.00 C ATOM 783 C PHE A 48 5.134 12.976 2.708 1.00 0.00 C ATOM 784 O PHE A 48 6.278 13.111 2.315 1.00 0.00 O ATOM 785 CB PHE A 48 3.448 11.163 2.407 1.00 0.00 C ATOM 786 CG PHE A 48 2.198 10.771 1.658 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.127 11.668 1.561 1.00 0.00 C ATOM 788 CD2 PHE A 48 2.109 9.507 1.061 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.033 11.301 0.867 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.950 9.141 0.367 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.120 10.038 0.270 1.00 0.00 C ATOM 0 H PHE A 48 4.980 11.164 0.351 1.00 0.00 H new ATOM 0 HA PHE A 48 3.257 13.183 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.177 10.354 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.216 11.332 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.195 12.643 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.935 8.815 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.860 11.992 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.881 8.167 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.014 9.755 -0.266 1.00 0.00 H new ATOM 801 N LYS A 49 4.789 13.284 3.933 1.00 0.00 N ATOM 802 CA LYS A 49 5.801 13.814 4.892 1.00 0.00 C ATOM 803 C LYS A 49 6.084 12.753 5.959 1.00 0.00 C ATOM 804 O LYS A 49 7.225 12.473 6.277 1.00 0.00 O ATOM 805 CB LYS A 49 5.265 15.086 5.560 1.00 0.00 C ATOM 806 CG LYS A 49 5.851 16.326 4.865 1.00 0.00 C ATOM 807 CD LYS A 49 6.322 17.336 5.917 1.00 0.00 C ATOM 808 CE LYS A 49 5.231 18.386 6.147 1.00 0.00 C ATOM 809 NZ LYS A 49 5.548 19.165 7.377 1.00 0.00 N ATOM 0 H LYS A 49 3.846 13.190 4.310 1.00 0.00 H new ATOM 0 HA LYS A 49 6.721 14.053 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.177 15.106 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.529 15.091 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.685 16.036 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.100 16.782 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.550 16.823 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.241 17.819 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.165 19.053 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.260 17.902 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.809 19.879 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.590 18.522 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.467 19.638 7.261 1.00 0.00 H new ATOM 823 N HIS A 50 5.053 12.163 6.512 1.00 0.00 N ATOM 824 CA HIS A 50 5.259 11.119 7.559 1.00 0.00 C ATOM 825 C HIS A 50 4.178 10.034 7.447 1.00 0.00 C ATOM 826 O HIS A 50 3.906 9.324 8.398 1.00 0.00 O ATOM 827 CB HIS A 50 5.195 11.774 8.940 1.00 0.00 C ATOM 828 CG HIS A 50 6.460 12.554 9.177 1.00 0.00 C ATOM 829 ND1 HIS A 50 7.612 11.961 9.668 1.00 0.00 N ATOM 830 CD2 HIS A 50 6.771 13.878 8.987 1.00 0.00 C ATOM 831 CE1 HIS A 50 8.554 12.917 9.755 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.094 14.105 9.352 1.00 0.00 N ATOM 0 H HIS A 50 4.079 12.360 6.283 1.00 0.00 H new ATOM 0 HA HIS A 50 6.235 10.654 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.330 12.434 9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.073 11.013 9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.092 14.629 8.611 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.560 12.745 10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.603 14.988 9.319 1.00 0.00 H new ATOM 840 N SER A 51 3.568 9.893 6.295 1.00 0.00 N ATOM 841 CA SER A 51 2.515 8.846 6.119 1.00 0.00 C ATOM 842 C SER A 51 3.191 7.511 5.797 1.00 0.00 C ATOM 843 O SER A 51 3.601 7.268 4.679 1.00 0.00 O ATOM 844 CB SER A 51 1.587 9.248 4.971 1.00 0.00 C ATOM 845 OG SER A 51 0.242 8.972 5.336 1.00 0.00 O ATOM 0 H SER A 51 3.755 10.460 5.468 1.00 0.00 H new ATOM 0 HA SER A 51 1.930 8.748 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.705 10.308 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.850 8.700 4.066 1.00 0.00 H new ATOM 0 HG SER A 51 -0.355 9.230 4.603 1.00 0.00 H new ATOM 851 N ASN A 52 3.326 6.654 6.778 1.00 0.00 N ATOM 852 CA ASN A 52 3.995 5.337 6.551 1.00 0.00 C ATOM 853 C ASN A 52 3.186 4.472 5.581 1.00 0.00 C ATOM 854 O ASN A 52 2.049 4.766 5.255 1.00 0.00 O ATOM 855 CB ASN A 52 4.126 4.597 7.883 1.00 0.00 C ATOM 856 CG ASN A 52 5.350 5.119 8.645 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.395 5.328 8.062 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.267 5.341 9.931 1.00 0.00 N ATOM 0 H ASN A 52 3.000 6.811 7.731 1.00 0.00 H new ATOM 0 HA ASN A 52 4.979 5.522 6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.225 4.740 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.225 3.526 7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.078 5.689 10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.391 5.166 10.423 1.00 0.00 H new ATOM 865 N PHE A 53 3.778 3.394 5.126 1.00 0.00 N ATOM 866 CA PHE A 53 3.079 2.473 4.180 1.00 0.00 C ATOM 867 C PHE A 53 1.758 1.997 4.789 1.00 0.00 C ATOM 868 O PHE A 53 0.810 1.713 4.086 1.00 0.00 O ATOM 869 CB PHE A 53 3.969 1.256 3.889 1.00 0.00 C ATOM 870 CG PHE A 53 4.517 0.680 5.179 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.697 -0.099 6.003 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.850 0.919 5.544 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.204 -0.636 7.193 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.357 0.380 6.733 1.00 0.00 C ATOM 875 CZ PHE A 53 5.535 -0.397 7.558 1.00 0.00 C ATOM 0 H PHE A 53 4.726 3.112 5.374 1.00 0.00 H new ATOM 0 HA PHE A 53 2.876 3.009 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.395 0.496 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.791 1.547 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.671 -0.286 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.485 1.518 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.569 -1.234 7.829 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.383 0.564 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.927 -0.812 8.475 1.00 0.00 H new ATOM 885 N ALA A 54 1.694 1.911 6.092 1.00 0.00 N ATOM 886 CA ALA A 54 0.438 1.458 6.763 1.00 0.00 C ATOM 887 C ALA A 54 -0.693 2.438 6.440 1.00 0.00 C ATOM 888 O ALA A 54 -1.800 2.044 6.118 1.00 0.00 O ATOM 889 CB ALA A 54 0.661 1.412 8.279 1.00 0.00 C ATOM 0 H ALA A 54 2.462 2.136 6.724 1.00 0.00 H new ATOM 0 HA ALA A 54 0.169 0.464 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.254 1.082 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.468 0.715 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.928 2.406 8.638 1.00 0.00 H new ATOM 895 N SER A 55 -0.416 3.714 6.519 1.00 0.00 N ATOM 896 CA SER A 55 -1.461 4.732 6.216 1.00 0.00 C ATOM 897 C SER A 55 -1.848 4.632 4.741 1.00 0.00 C ATOM 898 O SER A 55 -2.988 4.845 4.374 1.00 0.00 O ATOM 899 CB SER A 55 -0.910 6.128 6.503 1.00 0.00 C ATOM 900 OG SER A 55 -1.884 7.099 6.148 1.00 0.00 O ATOM 0 H SER A 55 0.493 4.094 6.782 1.00 0.00 H new ATOM 0 HA SER A 55 -2.338 4.553 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.655 6.221 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.007 6.293 5.938 1.00 0.00 H new ATOM 0 HG SER A 55 -1.436 7.905 5.815 1.00 0.00 H new ATOM 906 N PHE A 56 -0.903 4.308 3.895 1.00 0.00 N ATOM 907 CA PHE A 56 -1.204 4.193 2.437 1.00 0.00 C ATOM 908 C PHE A 56 -2.239 3.088 2.204 1.00 0.00 C ATOM 909 O PHE A 56 -3.172 3.250 1.441 1.00 0.00 O ATOM 910 CB PHE A 56 0.083 3.846 1.678 1.00 0.00 C ATOM 911 CG PHE A 56 -0.174 3.879 0.186 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.829 4.975 -0.388 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.249 2.817 -0.622 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.064 5.010 -1.767 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.016 2.852 -2.002 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.640 3.948 -2.574 1.00 0.00 C ATOM 0 H PHE A 56 0.066 4.118 4.152 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.602 5.142 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.870 4.555 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.435 2.858 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.154 5.795 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.755 1.971 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.572 5.855 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.343 2.033 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.819 3.974 -3.639 1.00 0.00 H new ATOM 926 N VAL A 57 -2.067 1.967 2.849 1.00 0.00 N ATOM 927 CA VAL A 57 -3.021 0.831 2.674 1.00 0.00 C ATOM 928 C VAL A 57 -4.414 1.238 3.165 1.00 0.00 C ATOM 929 O VAL A 57 -5.414 0.870 2.578 1.00 0.00 O ATOM 930 CB VAL A 57 -2.525 -0.377 3.476 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.438 -1.580 3.220 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.097 -0.726 3.046 1.00 0.00 C ATOM 0 H VAL A 57 -1.300 1.786 3.496 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.079 0.569 1.617 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.539 -0.131 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.081 -2.436 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.455 -1.337 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.429 -1.824 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.745 -1.585 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.086 -0.967 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.443 0.126 3.232 1.00 0.00 H new ATOM 942 N ARG A 58 -4.488 1.983 4.240 1.00 0.00 N ATOM 943 CA ARG A 58 -5.823 2.403 4.771 1.00 0.00 C ATOM 944 C ARG A 58 -6.542 3.281 3.743 1.00 0.00 C ATOM 945 O ARG A 58 -7.743 3.183 3.566 1.00 0.00 O ATOM 946 CB ARG A 58 -5.636 3.192 6.069 1.00 0.00 C ATOM 947 CG ARG A 58 -5.533 2.220 7.247 1.00 0.00 C ATOM 948 CD ARG A 58 -6.936 1.777 7.673 1.00 0.00 C ATOM 949 NE ARG A 58 -6.837 0.918 8.888 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.361 -0.277 8.888 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.950 -1.167 8.027 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.289 -0.583 9.752 1.00 0.00 N ATOM 0 H ARG A 58 -3.685 2.318 4.772 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.422 1.514 4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.736 3.804 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.474 3.872 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.937 1.352 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.023 2.699 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.557 2.648 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.417 1.227 6.864 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.359 1.265 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.220 -0.928 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.358 -2.102 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.605 0.112 10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.698 -1.517 9.751 1.00 0.00 H new ATOM 966 N GLN A 59 -5.820 4.141 3.068 1.00 0.00 N ATOM 967 CA GLN A 59 -6.459 5.034 2.054 1.00 0.00 C ATOM 968 C GLN A 59 -7.042 4.194 0.913 1.00 0.00 C ATOM 969 O GLN A 59 -8.167 4.394 0.494 1.00 0.00 O ATOM 970 CB GLN A 59 -5.410 5.993 1.478 1.00 0.00 C ATOM 971 CG GLN A 59 -4.973 7.008 2.538 1.00 0.00 C ATOM 972 CD GLN A 59 -6.169 7.870 2.950 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.624 8.702 2.190 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.704 7.704 4.129 1.00 0.00 N ATOM 0 H GLN A 59 -4.813 4.263 3.176 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.256 5.601 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.546 5.429 1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.821 6.515 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.569 6.489 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.176 7.639 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.323 7.006 4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.503 8.272 4.411 1.00 0.00 H new ATOM 983 N LEU A 60 -6.274 3.268 0.398 1.00 0.00 N ATOM 984 CA LEU A 60 -6.757 2.417 -0.731 1.00 0.00 C ATOM 985 C LEU A 60 -7.987 1.610 -0.307 1.00 0.00 C ATOM 986 O LEU A 60 -8.848 1.316 -1.113 1.00 0.00 O ATOM 987 CB LEU A 60 -5.641 1.455 -1.144 1.00 0.00 C ATOM 988 CG LEU A 60 -4.523 2.233 -1.835 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.243 1.397 -1.829 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.927 2.534 -3.280 1.00 0.00 C ATOM 0 H LEU A 60 -5.326 3.064 0.714 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.030 3.060 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.250 0.938 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.035 0.692 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.350 3.169 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.444 1.951 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.954 1.182 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.417 0.461 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.129 3.089 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.100 1.598 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.840 3.129 -3.286 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.067 1.238 0.944 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.236 0.432 1.417 1.00 0.00 C ATOM 1004 C ASN A 61 -10.441 1.340 1.699 1.00 0.00 C ATOM 1005 O ASN A 61 -11.567 0.882 1.737 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.857 -0.316 2.697 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.703 -1.586 2.811 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -10.737 -1.586 3.449 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -9.305 -2.677 2.214 1.00 0.00 N ATOM 0 H ASN A 61 -7.374 1.457 1.660 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.506 -0.279 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.797 -0.571 2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.019 0.322 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.862 -3.529 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.437 -2.678 1.678 1.00 0.00 H new ATOM 1016 N MET A 62 -10.218 2.616 1.908 1.00 0.00 N ATOM 1017 CA MET A 62 -11.356 3.542 2.199 1.00 0.00 C ATOM 1018 C MET A 62 -12.009 4.004 0.891 1.00 0.00 C ATOM 1019 O MET A 62 -13.177 4.343 0.864 1.00 0.00 O ATOM 1020 CB MET A 62 -10.835 4.768 2.959 1.00 0.00 C ATOM 1021 CG MET A 62 -11.011 4.553 4.464 1.00 0.00 C ATOM 1022 SD MET A 62 -11.236 6.153 5.282 1.00 0.00 S ATOM 1023 CE MET A 62 -12.879 6.524 4.620 1.00 0.00 C ATOM 0 H MET A 62 -9.297 3.055 1.889 1.00 0.00 H new ATOM 0 HA MET A 62 -12.094 3.015 2.803 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.783 4.933 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.375 5.661 2.643 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.873 3.912 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.139 4.043 4.873 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.457 7.071 5.365 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.780 7.131 3.720 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.391 5.594 4.375 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.262 4.037 -0.183 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.837 4.497 -1.482 1.00 0.00 C ATOM 1035 C TYR A 63 -12.431 3.312 -2.249 1.00 0.00 C ATOM 1036 O TYR A 63 -13.497 3.418 -2.827 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.737 5.164 -2.312 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.444 6.527 -1.730 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.424 7.525 -1.766 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.197 6.791 -1.147 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.161 8.788 -1.221 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.934 8.053 -0.599 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.916 9.052 -0.638 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.661 10.298 -0.095 1.00 0.00 O ATOM 0 H TYR A 63 -10.279 3.765 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.633 5.216 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.836 4.550 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.053 5.258 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.385 7.321 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.439 6.022 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.918 9.558 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.975 8.256 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.752 10.316 0.270 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.760 2.187 -2.256 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.301 1.000 -2.985 1.00 0.00 C ATOM 1056 C GLY A 64 -11.166 0.037 -3.335 1.00 0.00 C ATOM 1057 O GLY A 64 -11.377 -1.154 -3.467 1.00 0.00 O ATOM 0 H GLY A 64 -10.865 2.040 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.043 0.492 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.809 1.322 -3.894 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.964 0.538 -3.488 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.812 -0.354 -3.832 1.00 0.00 C ATOM 1063 C TRP A 65 -8.659 -1.428 -2.751 1.00 0.00 C ATOM 1064 O TRP A 65 -8.542 -1.125 -1.577 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.526 0.475 -3.912 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.523 1.288 -5.168 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.957 2.565 -5.266 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.067 0.908 -6.499 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.797 2.994 -6.571 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.253 2.008 -7.370 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.516 -0.273 -7.032 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.904 1.940 -8.720 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.164 -0.344 -8.390 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.357 0.761 -9.232 1.00 0.00 C ATOM 0 H TRP A 65 -9.731 1.526 -3.390 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.997 -0.829 -4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.450 1.130 -3.044 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.657 -0.183 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.363 3.154 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.050 3.925 -6.903 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.363 -1.130 -6.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.056 2.793 -9.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.742 -1.255 -8.788 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.083 0.700 -10.275 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.670 -2.678 -3.135 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.536 -3.776 -2.134 1.00 0.00 C ATOM 1087 C HIS A 66 -7.061 -4.152 -1.976 1.00 0.00 C ATOM 1088 O HIS A 66 -6.188 -3.534 -2.557 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.328 -4.995 -2.609 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.801 -4.732 -2.449 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.460 -4.926 -1.246 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.755 -4.291 -3.333 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.753 -4.605 -1.435 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.987 -4.211 -2.690 1.00 0.00 N ATOM 0 H HIS A 66 -8.766 -2.986 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.926 -3.440 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.097 -5.207 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.041 -5.875 -2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.577 -4.044 -4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.509 -4.659 -0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.877 -3.915 -3.091 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.783 -5.163 -1.195 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.370 -5.595 -0.989 1.00 0.00 C ATOM 1104 C LYS A 67 -5.122 -6.881 -1.782 1.00 0.00 C ATOM 1105 O LYS A 67 -4.108 -7.036 -2.431 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.133 -5.854 0.506 1.00 0.00 C ATOM 1107 CG LYS A 67 -3.822 -5.199 0.953 1.00 0.00 C ATOM 1108 CD LYS A 67 -3.573 -5.503 2.439 1.00 0.00 C ATOM 1109 CE LYS A 67 -2.390 -6.469 2.594 1.00 0.00 C ATOM 1110 NZ LYS A 67 -2.891 -7.811 3.014 1.00 0.00 N ATOM 0 H LYS A 67 -7.479 -5.711 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.688 -4.817 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.964 -5.456 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.096 -6.927 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.994 -5.573 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.870 -4.122 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.369 -4.577 2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.468 -5.939 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.848 -6.551 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.688 -6.084 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.088 -8.464 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.389 -7.727 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.545 -8.179 2.294 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.049 -7.800 -1.727 1.00 0.00 N ATOM 1125 CA VAL A 68 -5.897 -9.092 -2.468 1.00 0.00 C ATOM 1126 C VAL A 68 -7.272 -9.745 -2.617 1.00 0.00 C ATOM 1127 O VAL A 68 -8.273 -9.204 -2.186 1.00 0.00 O ATOM 1128 CB VAL A 68 -4.969 -10.048 -1.700 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -3.510 -9.649 -1.929 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -5.279 -9.999 -0.197 1.00 0.00 C ATOM 0 H VAL A 68 -6.915 -7.712 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.463 -8.889 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.133 -11.062 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.857 -10.329 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.281 -9.702 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.351 -8.631 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.615 -10.681 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.129 -8.985 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.314 -10.297 -0.029 1.00 0.00 H new ATOM 1140 N GLN A 69 -7.328 -10.909 -3.215 1.00 0.00 N ATOM 1141 CA GLN A 69 -8.636 -11.605 -3.384 1.00 0.00 C ATOM 1142 C GLN A 69 -9.135 -12.065 -2.014 1.00 0.00 C ATOM 1143 O GLN A 69 -10.292 -11.902 -1.676 1.00 0.00 O ATOM 1144 CB GLN A 69 -8.462 -12.821 -4.294 1.00 0.00 C ATOM 1145 CG GLN A 69 -7.937 -12.370 -5.657 1.00 0.00 C ATOM 1146 CD GLN A 69 -8.325 -13.398 -6.720 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -9.493 -13.610 -6.980 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -7.388 -14.054 -7.349 1.00 0.00 N ATOM 0 H GLN A 69 -6.522 -11.406 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.357 -10.922 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.768 -13.530 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.414 -13.338 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.350 -11.394 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.853 -12.259 -5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.407 -13.877 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.636 -14.744 -8.058 1.00 0.00 H new ATOM 1157 N ASP A 70 -8.262 -12.638 -1.222 1.00 0.00 N ATOM 1158 CA ASP A 70 -8.663 -13.116 0.135 1.00 0.00 C ATOM 1159 C ASP A 70 -9.751 -14.183 0.006 1.00 0.00 C ATOM 1160 O ASP A 70 -10.929 -13.892 0.092 1.00 0.00 O ATOM 1161 CB ASP A 70 -9.198 -11.941 0.959 1.00 0.00 C ATOM 1162 CG ASP A 70 -9.021 -12.237 2.450 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -9.885 -12.890 3.010 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -8.026 -11.803 3.006 1.00 0.00 O ATOM 0 H ASP A 70 -7.283 -12.795 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.793 -13.544 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.667 -11.026 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.251 -11.775 0.733 1.00 0.00 H new ATOM 1169 N VAL A 71 -9.364 -15.418 -0.196 1.00 0.00 N ATOM 1170 CA VAL A 71 -10.372 -16.510 -0.327 1.00 0.00 C ATOM 1171 C VAL A 71 -9.786 -17.825 0.195 1.00 0.00 C ATOM 1172 O VAL A 71 -10.433 -18.542 0.935 1.00 0.00 O ATOM 1173 CB VAL A 71 -10.801 -16.671 -1.793 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -11.706 -15.498 -2.181 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -9.572 -16.704 -2.719 1.00 0.00 C ATOM 0 H VAL A 71 -8.392 -15.716 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.249 -16.249 0.265 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.340 -17.612 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.015 -15.605 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.587 -15.491 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.161 -14.562 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.898 -16.819 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.014 -15.774 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.933 -17.543 -2.445 1.00 0.00 H new ATOM 1185 N LYS A 72 -8.571 -18.147 -0.177 1.00 0.00 N ATOM 1186 CA LYS A 72 -7.956 -19.421 0.313 1.00 0.00 C ATOM 1187 C LYS A 72 -6.437 -19.263 0.489 1.00 0.00 C ATOM 1188 O LYS A 72 -5.724 -20.241 0.615 1.00 0.00 O ATOM 1189 CB LYS A 72 -8.238 -20.539 -0.694 1.00 0.00 C ATOM 1190 CG LYS A 72 -8.343 -21.884 0.039 1.00 0.00 C ATOM 1191 CD LYS A 72 -7.075 -22.706 -0.204 1.00 0.00 C ATOM 1192 CE LYS A 72 -7.415 -24.198 -0.164 1.00 0.00 C ATOM 1193 NZ LYS A 72 -6.288 -24.946 0.464 1.00 0.00 N ATOM 0 H LYS A 72 -7.982 -17.588 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.393 -19.669 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.165 -20.333 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.442 -20.581 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.480 -21.717 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.217 -22.433 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.641 -22.447 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.327 -22.473 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.333 -24.358 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.594 -24.569 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.517 -25.960 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.422 -24.802 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.137 -24.598 1.433 1.00 0.00 H new ATOM 1207 N SER A 73 -5.935 -18.048 0.508 1.00 0.00 N ATOM 1208 CA SER A 73 -4.467 -17.845 0.686 1.00 0.00 C ATOM 1209 C SER A 73 -4.158 -17.686 2.193 1.00 0.00 C ATOM 1210 O SER A 73 -4.208 -18.651 2.933 1.00 0.00 O ATOM 1211 CB SER A 73 -4.028 -16.616 -0.121 1.00 0.00 C ATOM 1212 OG SER A 73 -2.644 -16.376 0.100 1.00 0.00 O ATOM 0 H SER A 73 -6.481 -17.192 0.408 1.00 0.00 H new ATOM 0 HA SER A 73 -3.909 -18.706 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.215 -16.778 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.612 -15.745 0.176 1.00 0.00 H new ATOM 0 HG SER A 73 -2.361 -15.592 -0.416 1.00 0.00 H new ATOM 1218 N GLY A 74 -3.852 -16.490 2.669 1.00 0.00 N ATOM 1219 CA GLY A 74 -3.559 -16.300 4.126 1.00 0.00 C ATOM 1220 C GLY A 74 -2.482 -17.286 4.594 1.00 0.00 C ATOM 1221 O GLY A 74 -2.715 -18.095 5.471 1.00 0.00 O ATOM 0 H GLY A 74 -3.794 -15.642 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.226 -15.278 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.470 -16.445 4.707 1.00 0.00 H new ATOM 1225 N SER A 75 -1.306 -17.221 4.017 1.00 0.00 N ATOM 1226 CA SER A 75 -0.217 -18.154 4.433 1.00 0.00 C ATOM 1227 C SER A 75 1.146 -17.497 4.187 1.00 0.00 C ATOM 1228 O SER A 75 1.857 -17.842 3.262 1.00 0.00 O ATOM 1229 CB SER A 75 -0.319 -19.449 3.624 1.00 0.00 C ATOM 1230 OG SER A 75 0.012 -19.185 2.268 1.00 0.00 O ATOM 0 H SER A 75 -1.056 -16.564 3.278 1.00 0.00 H new ATOM 0 HA SER A 75 -0.319 -18.381 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.355 -20.201 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.329 -19.854 3.691 1.00 0.00 H new ATOM 0 HG SER A 75 0.944 -18.888 2.211 1.00 0.00 H new ATOM 1236 N MET A 76 1.512 -16.553 5.017 1.00 0.00 N ATOM 1237 CA MET A 76 2.827 -15.868 4.849 1.00 0.00 C ATOM 1238 C MET A 76 3.634 -16.013 6.140 1.00 0.00 C ATOM 1239 O MET A 76 4.248 -15.074 6.613 1.00 0.00 O ATOM 1240 CB MET A 76 2.598 -14.386 4.545 1.00 0.00 C ATOM 1241 CG MET A 76 1.693 -13.776 5.618 1.00 0.00 C ATOM 1242 SD MET A 76 1.570 -11.989 5.360 1.00 0.00 S ATOM 1243 CE MET A 76 -0.094 -11.773 6.039 1.00 0.00 C ATOM 0 H MET A 76 0.954 -16.227 5.806 1.00 0.00 H new ATOM 0 HA MET A 76 3.376 -16.320 4.023 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.552 -13.859 4.516 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.141 -14.272 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.703 -14.229 5.574 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.095 -13.984 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.378 -10.722 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.801 -12.374 5.467 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.106 -12.093 7.081 1.00 0.00 H new ATOM 1253 N LEU A 77 3.633 -17.189 6.709 1.00 0.00 N ATOM 1254 CA LEU A 77 4.390 -17.420 7.972 1.00 0.00 C ATOM 1255 C LEU A 77 5.857 -17.704 7.637 1.00 0.00 C ATOM 1256 O LEU A 77 6.224 -18.819 7.318 1.00 0.00 O ATOM 1257 CB LEU A 77 3.791 -18.622 8.711 1.00 0.00 C ATOM 1258 CG LEU A 77 2.273 -18.430 8.878 1.00 0.00 C ATOM 1259 CD1 LEU A 77 1.523 -19.401 7.959 1.00 0.00 C ATOM 1260 CD2 LEU A 77 1.873 -18.707 10.330 1.00 0.00 C ATOM 0 H LEU A 77 3.137 -18.004 6.350 1.00 0.00 H new ATOM 0 HA LEU A 77 4.326 -16.536 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.992 -19.538 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.262 -18.731 9.688 1.00 0.00 H new ATOM 0 HG LEU A 77 2.015 -17.404 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.449 -19.261 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.799 -19.207 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.787 -20.426 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.798 -18.570 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.138 -19.732 10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.398 -18.017 10.990 1.00 0.00 H new ATOM 1272 N SER A 78 6.696 -16.699 7.705 1.00 0.00 N ATOM 1273 CA SER A 78 8.146 -16.896 7.391 1.00 0.00 C ATOM 1274 C SER A 78 8.302 -17.422 5.960 1.00 0.00 C ATOM 1275 O SER A 78 8.487 -18.605 5.742 1.00 0.00 O ATOM 1276 CB SER A 78 8.754 -17.898 8.374 1.00 0.00 C ATOM 1277 OG SER A 78 9.197 -17.209 9.535 1.00 0.00 O ATOM 0 H SER A 78 6.438 -15.747 7.965 1.00 0.00 H new ATOM 0 HA SER A 78 8.664 -15.941 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.016 -18.653 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.588 -18.422 7.908 1.00 0.00 H new ATOM 0 HG SER A 78 9.585 -17.849 10.167 1.00 0.00 H new ATOM 1283 N ASN A 79 8.230 -16.549 4.987 1.00 0.00 N ATOM 1284 CA ASN A 79 8.376 -16.990 3.568 1.00 0.00 C ATOM 1285 C ASN A 79 9.074 -15.886 2.767 1.00 0.00 C ATOM 1286 O ASN A 79 8.918 -14.712 3.047 1.00 0.00 O ATOM 1287 CB ASN A 79 6.986 -17.273 2.977 1.00 0.00 C ATOM 1288 CG ASN A 79 6.887 -18.742 2.555 1.00 0.00 C ATOM 1289 OD1 ASN A 79 5.904 -19.401 2.831 1.00 0.00 O ATOM 1290 ND2 ASN A 79 7.870 -19.285 1.892 1.00 0.00 N ATOM 0 H ASN A 79 8.076 -15.549 5.115 1.00 0.00 H new ATOM 0 HA ASN A 79 8.974 -17.900 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.215 -17.044 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.808 -16.626 2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.813 -20.262 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.695 -18.732 1.660 1.00 0.00 H new ATOM 1297 N ASN A 80 9.847 -16.257 1.778 1.00 0.00 N ATOM 1298 CA ASN A 80 10.566 -15.238 0.957 1.00 0.00 C ATOM 1299 C ASN A 80 9.622 -14.667 -0.104 1.00 0.00 C ATOM 1300 O ASN A 80 9.222 -15.355 -1.023 1.00 0.00 O ATOM 1301 CB ASN A 80 11.766 -15.894 0.269 1.00 0.00 C ATOM 1302 CG ASN A 80 12.737 -16.430 1.326 1.00 0.00 C ATOM 1303 OD1 ASN A 80 12.732 -15.984 2.456 1.00 0.00 O ATOM 1304 ND2 ASN A 80 13.577 -17.376 1.004 1.00 0.00 N ATOM 0 H ASN A 80 10.011 -17.226 1.503 1.00 0.00 H new ATOM 0 HA ASN A 80 10.910 -14.432 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.429 -16.707 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.272 -15.170 -0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.227 -17.739 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.583 -17.752 0.056 1.00 0.00 H new ATOM 1311 N ASP A 81 9.271 -13.408 0.013 1.00 0.00 N ATOM 1312 CA ASP A 81 8.361 -12.775 -0.995 1.00 0.00 C ATOM 1313 C ASP A 81 8.021 -11.341 -0.563 1.00 0.00 C ATOM 1314 O ASP A 81 7.135 -11.113 0.239 1.00 0.00 O ATOM 1315 CB ASP A 81 7.065 -13.597 -1.154 1.00 0.00 C ATOM 1316 CG ASP A 81 6.548 -14.079 0.209 1.00 0.00 C ATOM 1317 OD1 ASP A 81 6.260 -13.243 1.047 1.00 0.00 O ATOM 1318 OD2 ASP A 81 6.442 -15.281 0.385 1.00 0.00 O ATOM 0 H ASP A 81 9.576 -12.790 0.765 1.00 0.00 H new ATOM 0 HA ASP A 81 8.874 -12.751 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.303 -12.990 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.251 -14.455 -1.800 1.00 0.00 H new ATOM 1323 N SER A 82 8.719 -10.369 -1.097 1.00 0.00 N ATOM 1324 CA SER A 82 8.441 -8.948 -0.730 1.00 0.00 C ATOM 1325 C SER A 82 7.664 -8.277 -1.867 1.00 0.00 C ATOM 1326 O SER A 82 7.950 -7.159 -2.256 1.00 0.00 O ATOM 1327 CB SER A 82 9.759 -8.206 -0.500 1.00 0.00 C ATOM 1328 OG SER A 82 9.514 -7.045 0.284 1.00 0.00 O ATOM 0 H SER A 82 9.471 -10.500 -1.773 1.00 0.00 H new ATOM 0 HA SER A 82 7.850 -8.917 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.472 -8.857 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.204 -7.927 -1.455 1.00 0.00 H new ATOM 0 HG SER A 82 8.857 -6.477 -0.169 1.00 0.00 H new ATOM 1334 N ARG A 83 6.684 -8.960 -2.402 1.00 0.00 N ATOM 1335 CA ARG A 83 5.882 -8.380 -3.518 1.00 0.00 C ATOM 1336 C ARG A 83 4.428 -8.202 -3.074 1.00 0.00 C ATOM 1337 O ARG A 83 3.876 -9.026 -2.371 1.00 0.00 O ATOM 1338 CB ARG A 83 5.937 -9.319 -4.726 1.00 0.00 C ATOM 1339 CG ARG A 83 5.505 -10.726 -4.304 1.00 0.00 C ATOM 1340 CD ARG A 83 5.386 -11.626 -5.538 1.00 0.00 C ATOM 1341 NE ARG A 83 6.000 -12.953 -5.247 1.00 0.00 N ATOM 1342 CZ ARG A 83 6.010 -13.884 -6.164 1.00 0.00 C ATOM 1343 NH1 ARG A 83 4.902 -14.216 -6.769 1.00 0.00 N ATOM 1344 NH2 ARG A 83 7.127 -14.484 -6.474 1.00 0.00 N ATOM 0 H ARG A 83 6.405 -9.897 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 83 6.295 -7.409 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.284 -8.949 -5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.948 -9.345 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.230 -11.145 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.549 -10.681 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.338 -11.750 -5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.884 -11.162 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 83 6.412 -13.134 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.028 -13.749 -6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.910 -14.943 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.993 -14.226 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.134 -15.211 -7.190 1.00 0.00 H new ATOM 1358 N TRP A 84 3.808 -7.130 -3.492 1.00 0.00 N ATOM 1359 CA TRP A 84 2.388 -6.875 -3.118 1.00 0.00 C ATOM 1360 C TRP A 84 1.550 -6.808 -4.396 1.00 0.00 C ATOM 1361 O TRP A 84 2.048 -6.462 -5.451 1.00 0.00 O ATOM 1362 CB TRP A 84 2.292 -5.545 -2.361 1.00 0.00 C ATOM 1363 CG TRP A 84 2.976 -5.671 -1.037 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.291 -5.945 -0.865 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.410 -5.533 0.301 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.566 -5.987 0.491 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.440 -5.739 1.251 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.117 -5.253 0.778 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.194 -5.670 2.623 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.867 -5.182 2.158 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.904 -5.391 3.079 1.00 0.00 C ATOM 0 H TRP A 84 4.230 -6.414 -4.083 1.00 0.00 H new ATOM 0 HA TRP A 84 2.018 -7.675 -2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.753 -4.748 -2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.247 -5.271 -2.217 1.00 0.00 H new ATOM 0 HD1 TRP A 84 5.008 -6.105 -1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.489 -6.178 0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.311 -5.091 0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.996 -5.831 3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.130 -4.965 2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.705 -5.336 4.139 1.00 0.00 H new ATOM 1382 N GLU A 85 0.287 -7.142 -4.314 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.580 -7.104 -5.531 1.00 0.00 C ATOM 1384 C GLU A 85 -1.946 -6.518 -5.172 1.00 0.00 C ATOM 1385 O GLU A 85 -2.734 -7.135 -4.483 1.00 0.00 O ATOM 1386 CB GLU A 85 -0.751 -8.525 -6.080 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.327 -9.438 -4.993 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.889 -10.880 -5.254 1.00 0.00 C ATOM 1389 OE1 GLU A 85 0.243 -11.070 -5.668 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.692 -11.772 -5.034 1.00 0.00 O ATOM 0 H GLU A 85 -0.181 -7.439 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.113 -6.478 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.414 -8.513 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.210 -8.911 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.983 -9.114 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.415 -9.372 -4.987 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.226 -5.326 -5.635 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.533 -4.678 -5.325 1.00 0.00 C ATOM 1399 C PHE A 86 -4.519 -4.915 -6.473 1.00 0.00 C ATOM 1400 O PHE A 86 -4.184 -4.767 -7.634 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.319 -3.172 -5.153 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.634 -2.900 -3.836 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.339 -3.382 -3.604 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -3.292 -2.158 -2.846 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.705 -3.124 -2.383 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.657 -1.900 -1.626 1.00 0.00 C ATOM 1407 CZ PHE A 86 -1.364 -2.383 -1.394 1.00 0.00 C ATOM 0 H PHE A 86 -1.600 -4.771 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.937 -5.106 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.715 -2.785 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.277 -2.653 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.830 -3.952 -4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.290 -1.785 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.293 -3.496 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.165 -1.328 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.874 -2.184 -0.452 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.737 -5.269 -6.149 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.765 -5.506 -7.203 1.00 0.00 C ATOM 1419 C GLU A 87 -7.905 -4.501 -7.018 1.00 0.00 C ATOM 1420 O GLU A 87 -7.914 -3.734 -6.072 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.312 -6.930 -7.073 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.815 -7.414 -8.433 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.710 -8.940 -8.506 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.095 -9.588 -7.546 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.246 -9.436 -9.520 1.00 0.00 O ATOM 0 H GLU A 87 -6.064 -5.404 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.319 -5.382 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.533 -7.597 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.123 -6.954 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.849 -7.103 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.228 -6.960 -9.232 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.862 -4.496 -7.911 1.00 0.00 N ATOM 1433 CA ASN A 88 -9.999 -3.537 -7.785 1.00 0.00 C ATOM 1434 C ASN A 88 -11.324 -4.282 -7.968 1.00 0.00 C ATOM 1435 O ASN A 88 -11.350 -5.440 -8.342 1.00 0.00 O ATOM 1436 CB ASN A 88 -9.870 -2.445 -8.852 1.00 0.00 C ATOM 1437 CG ASN A 88 -9.818 -3.079 -10.244 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -8.925 -3.846 -10.542 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -10.746 -2.787 -11.116 1.00 0.00 N ATOM 0 H ASN A 88 -8.904 -5.114 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.978 -3.080 -6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -10.715 -1.759 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.969 -1.858 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.720 -3.203 -12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.496 -2.143 -10.866 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.424 -3.621 -7.706 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.756 -4.277 -7.861 1.00 0.00 C ATOM 1448 C GLU A 89 -14.776 -3.245 -8.346 1.00 0.00 C ATOM 1449 O GLU A 89 -15.417 -3.426 -9.361 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.205 -4.843 -6.513 1.00 0.00 C ATOM 1451 CG GLU A 89 -13.441 -6.135 -6.221 1.00 0.00 C ATOM 1452 CD GLU A 89 -13.866 -7.214 -7.218 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -13.267 -7.282 -8.278 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -14.785 -7.954 -6.904 1.00 0.00 O ATOM 0 H GLU A 89 -12.455 -2.652 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.682 -5.086 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.024 -4.115 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.277 -5.038 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.368 -5.960 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.642 -6.467 -5.202 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.921 -2.163 -7.625 1.00 0.00 N ATOM 1462 CA ARG A 90 -15.892 -1.094 -8.021 1.00 0.00 C ATOM 1463 C ARG A 90 -17.334 -1.622 -7.907 1.00 0.00 C ATOM 1464 O ARG A 90 -17.974 -1.448 -6.888 1.00 0.00 O ATOM 1465 CB ARG A 90 -15.590 -0.609 -9.448 1.00 0.00 C ATOM 1466 CG ARG A 90 -16.400 0.655 -9.737 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.585 1.883 -9.327 1.00 0.00 C ATOM 1468 NE ARG A 90 -14.498 2.109 -10.320 1.00 0.00 N ATOM 1469 CZ ARG A 90 -14.382 3.268 -10.907 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -14.501 4.366 -10.213 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -14.147 3.330 -12.189 1.00 0.00 N ATOM 0 H ARG A 90 -14.402 -1.971 -6.768 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.787 -0.245 -7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.525 -0.404 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.840 -1.387 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.649 0.707 -10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.342 0.630 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.230 2.760 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.161 1.737 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.845 1.358 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.685 4.318 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.410 5.272 -10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.054 2.472 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.056 4.237 -12.648 1.00 0.00 H new ATOM 1485 N HIS A 91 -17.856 -2.264 -8.930 1.00 0.00 N ATOM 1486 CA HIS A 91 -19.250 -2.793 -8.852 1.00 0.00 C ATOM 1487 C HIS A 91 -19.224 -4.310 -9.065 1.00 0.00 C ATOM 1488 O HIS A 91 -19.630 -4.811 -10.098 1.00 0.00 O ATOM 1489 CB HIS A 91 -20.115 -2.123 -9.934 1.00 0.00 C ATOM 1490 CG HIS A 91 -21.106 -1.187 -9.295 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -22.196 -1.647 -8.571 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -21.186 0.183 -9.264 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -22.879 -0.571 -8.140 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -22.307 0.569 -8.534 1.00 0.00 N ATOM 0 H HIS A 91 -17.374 -2.442 -9.811 1.00 0.00 H new ATOM 0 HA HIS A 91 -19.675 -2.574 -7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.481 -1.574 -10.630 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -20.641 -2.882 -10.513 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.486 0.858 -9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -23.780 -0.623 -7.547 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.623 1.519 -8.341 1.00 0.00 H new ATOM 1502 N ALA A 92 -18.745 -5.043 -8.092 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.686 -6.529 -8.225 1.00 0.00 C ATOM 1504 C ALA A 92 -18.149 -7.136 -6.926 1.00 0.00 C ATOM 1505 O ALA A 92 -18.202 -8.349 -6.797 1.00 0.00 O ATOM 1506 CB ALA A 92 -17.757 -6.901 -9.383 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.696 -6.380 -6.082 1.00 0.00 O ATOM 0 H ALA A 92 -18.391 -4.675 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.686 -6.916 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.714 -7.986 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -18.138 -6.468 -10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -16.757 -6.514 -9.186 1.00 0.00 H new TER 1513 ALA A 92