USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 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 13 SER OG : rot 69:sc= 0.894 USER MOD Set 1.2: A 124 CYS SG : rot -16:sc= 1.26 USER MOD Set 2.1: A 100 GLN : amide:sc= 0.614 K(o=0.54,f=-0.12) USER MOD Set 2.2: A 119 HIS : no HD1:sc= -0.0739 X(o=0.54,f=0.36) USER MOD Set 3.1: A 82 SER OG : rot -56:sc= 0.654 USER MOD Set 3.2: A 93 HIS : no HD1:sc= -0.769 K(o=0.19,f=-8.8!) USER MOD Set 3.3: A 95 GLN : amide:sc= 0.309 K(o=0.19,f=-5.8!) USER MOD Set 4.1: A 45 ASN : amide:sc= 1.08 K(o=3.5,f=1.3) USER MOD Set 4.2: A 48 THR OG1 : rot -75:sc= 2.38 USER MOD Set 5.1: A 14 LYS NZ :NH3+ -175:sc= 1.24 (180deg=-0.0247) USER MOD Set 5.2: A 125 THR OG1 : rot 30:sc= 1.14 USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 1 (180deg=-1.35!) USER MOD Single : A 15 ASN : amide:sc= 1.05 K(o=1.1,f=-1.6) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00572 USER MOD Single : A 20 MET CE :methyl 163:sc= -0.448 (180deg=-1.16) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= 0.722 (180deg=0.0472) USER MOD Single : A 22 SER OG : rot 48:sc= 1.08 USER MOD Single : A 29 THR OG1 : rot 71:sc= 0.746 USER MOD Single : A 31 GLN : amide:sc= 1.17 K(o=1.2,f=-0.13) USER MOD Single : A 34 ASN : amide:sc= 0.421 K(o=0.42,f=-0.66) USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.105) USER MOD Single : A 36 THR OG1 : rot 83:sc= 1.04 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 121:sc= 1.21 USER MOD Single : A 40 THR OG1 : rot -177:sc= 0.991 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 1.02 (180deg=-2.69!) USER MOD Single : A 53 THR OG1 : rot 104:sc= 1.15 USER MOD Single : A 54 GLN : amide:sc= 0.417 K(o=0.42,f=-5.7!) USER MOD Single : A 55 SER OG : rot 105:sc= 0.755 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.696 X(o=-0.7,f=-1) USER MOD Single : A 60 THR OG1 : rot 42:sc= 0.181 USER MOD Single : A 63 SER OG : rot 41:sc= 0.686 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.359) USER MOD Single : A 73 THR OG1 : rot 59:sc= 0.962 USER MOD Single : A 74 THR OG1 : rot -110:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.13) USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= 1.11 (180deg=-1.23!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0.967 (180deg=0.757) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 1.04 (180deg=0.876) USER MOD Single : A 98 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.044) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.08 USER MOD Single : A 103 SER OG : rot -19:sc= 0.048 USER MOD Single : A 108 MET CE :methyl 178:sc= 0 (180deg=-0.00716) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.701) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.373 F(o=-0.93,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.409 -12.113 -5.510 1.00 0.00 N ATOM 2 CA VAL A 1 10.898 -11.456 -4.310 1.00 0.00 C ATOM 3 C VAL A 1 12.023 -10.475 -4.675 1.00 0.00 C ATOM 4 O VAL A 1 11.889 -9.270 -4.425 1.00 0.00 O ATOM 5 CB VAL A 1 11.220 -12.504 -3.225 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.437 -13.389 -3.514 1.00 0.00 C ATOM 7 CG2 VAL A 1 11.389 -11.851 -1.851 1.00 0.00 C ATOM 0 H1 VAL A 1 9.648 -12.776 -5.258 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.041 -11.399 -6.171 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.187 -12.635 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 1 10.131 -10.830 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 1 10.352 -13.163 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.579 -14.091 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.274 -13.941 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.325 -12.765 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.615 -12.617 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.206 -11.130 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.467 -11.340 -1.575 1.00 0.00 H new ATOM 19 N ASP A 2 13.075 -10.973 -5.343 1.00 0.00 N ATOM 20 CA ASP A 2 14.222 -10.225 -5.862 1.00 0.00 C ATOM 21 C ASP A 2 13.804 -9.356 -7.053 1.00 0.00 C ATOM 22 O ASP A 2 14.267 -9.518 -8.180 1.00 0.00 O ATOM 23 CB ASP A 2 15.332 -11.202 -6.275 1.00 0.00 C ATOM 24 CG ASP A 2 15.747 -12.111 -5.133 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.607 -11.674 -4.340 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.158 -13.211 -5.067 1.00 0.00 O ATOM 0 H ASP A 2 13.148 -11.970 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 2 14.599 -9.568 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.988 -11.808 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.198 -10.639 -6.623 1.00 0.00 H new ATOM 31 N ALA A 3 12.890 -8.432 -6.787 1.00 0.00 N ATOM 32 CA ALA A 3 12.102 -7.704 -7.765 1.00 0.00 C ATOM 33 C ALA A 3 11.252 -6.677 -7.026 1.00 0.00 C ATOM 34 O ALA A 3 11.109 -5.545 -7.478 1.00 0.00 O ATOM 35 CB ALA A 3 11.198 -8.673 -8.539 1.00 0.00 C ATOM 0 H ALA A 3 12.669 -8.158 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 3 12.759 -7.204 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.611 -8.117 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.813 -9.412 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.528 -9.179 -7.844 1.00 0.00 H new ATOM 41 N PHE A 4 10.711 -7.086 -5.876 1.00 0.00 N ATOM 42 CA PHE A 4 9.871 -6.273 -5.021 1.00 0.00 C ATOM 43 C PHE A 4 10.723 -5.628 -3.928 1.00 0.00 C ATOM 44 O PHE A 4 10.618 -4.423 -3.708 1.00 0.00 O ATOM 45 CB PHE A 4 8.743 -7.168 -4.481 1.00 0.00 C ATOM 46 CG PHE A 4 7.945 -7.818 -5.601 1.00 0.00 C ATOM 47 CD1 PHE A 4 7.313 -7.001 -6.557 1.00 0.00 C ATOM 48 CD2 PHE A 4 8.090 -9.194 -5.860 1.00 0.00 C ATOM 49 CE1 PHE A 4 6.919 -7.534 -7.796 1.00 0.00 C ATOM 50 CE2 PHE A 4 7.692 -9.728 -7.096 1.00 0.00 C ATOM 51 CZ PHE A 4 7.137 -8.891 -8.078 1.00 0.00 C ATOM 0 H PHE A 4 10.856 -8.027 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 4 9.409 -5.449 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.169 -7.942 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.075 -6.573 -3.858 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.130 -5.960 -6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.509 -9.842 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.448 -6.899 -8.532 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.813 -10.783 -7.292 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.879 -9.291 -9.047 1.00 0.00 H new ATOM 61 N VAL A 5 11.574 -6.424 -3.267 1.00 0.00 N ATOM 62 CA VAL A 5 12.369 -6.007 -2.110 1.00 0.00 C ATOM 63 C VAL A 5 13.042 -4.640 -2.311 1.00 0.00 C ATOM 64 O VAL A 5 13.931 -4.498 -3.155 1.00 0.00 O ATOM 65 CB VAL A 5 13.433 -7.077 -1.789 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.403 -6.602 -0.693 1.00 0.00 C ATOM 67 CG2 VAL A 5 12.802 -8.394 -1.320 1.00 0.00 C ATOM 0 H VAL A 5 11.731 -7.397 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 5 11.681 -5.902 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 5 13.974 -7.242 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.138 -7.382 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.914 -5.699 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.845 -6.388 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.588 -9.118 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.216 -8.216 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.152 -8.785 -2.103 1.00 0.00 H new ATOM 77 N GLY A 6 12.680 -3.667 -1.468 1.00 0.00 N ATOM 78 CA GLY A 6 13.485 -2.487 -1.200 1.00 0.00 C ATOM 79 C GLY A 6 12.669 -1.212 -1.366 1.00 0.00 C ATOM 80 O GLY A 6 11.681 -0.988 -0.661 1.00 0.00 O ATOM 0 H GLY A 6 11.803 -3.685 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.882 -2.538 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.339 -2.465 -1.877 1.00 0.00 H new ATOM 84 N THR A 7 13.101 -0.335 -2.270 1.00 0.00 N ATOM 85 CA THR A 7 12.468 0.955 -2.459 1.00 0.00 C ATOM 86 C THR A 7 12.673 1.406 -3.896 1.00 0.00 C ATOM 87 O THR A 7 13.745 1.197 -4.471 1.00 0.00 O ATOM 88 CB THR A 7 13.016 1.973 -1.450 1.00 0.00 C ATOM 89 OG1 THR A 7 12.902 1.462 -0.140 1.00 0.00 O ATOM 90 CG2 THR A 7 12.235 3.284 -1.513 1.00 0.00 C ATOM 0 H THR A 7 13.896 -0.504 -2.886 1.00 0.00 H new ATOM 0 HA THR A 7 11.396 0.874 -2.277 1.00 0.00 H new ATOM 0 HB THR A 7 14.060 2.157 -1.703 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.255 2.116 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.645 3.987 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.315 3.708 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.187 3.094 -1.282 1.00 0.00 H new ATOM 98 N TRP A 8 11.628 2.006 -4.459 1.00 0.00 N ATOM 99 CA TRP A 8 11.545 2.440 -5.836 1.00 0.00 C ATOM 100 C TRP A 8 10.866 3.816 -5.837 1.00 0.00 C ATOM 101 O TRP A 8 10.273 4.202 -4.828 1.00 0.00 O ATOM 102 CB TRP A 8 10.788 1.369 -6.651 1.00 0.00 C ATOM 103 CG TRP A 8 11.047 -0.071 -6.275 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.497 -0.713 -5.216 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.937 -1.049 -6.899 1.00 0.00 C ATOM 106 NE1 TRP A 8 11.035 -1.977 -5.096 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.962 -2.221 -6.083 1.00 0.00 C ATOM 108 CE3 TRP A 8 12.722 -1.077 -8.072 1.00 0.00 C ATOM 109 CZ2 TRP A 8 12.779 -3.321 -6.370 1.00 0.00 C ATOM 110 CZ3 TRP A 8 13.520 -2.193 -8.389 1.00 0.00 C ATOM 111 CH2 TRP A 8 13.577 -3.299 -7.522 1.00 0.00 C ATOM 0 H TRP A 8 10.777 2.209 -3.934 1.00 0.00 H new ATOM 0 HA TRP A 8 12.521 2.548 -6.309 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.719 1.560 -6.555 1.00 0.00 H new ATOM 0 HB3 TRP A 8 11.042 1.498 -7.703 1.00 0.00 H new ATOM 0 HD1 TRP A 8 9.746 -0.295 -4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 8 10.779 -2.645 -4.369 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.710 -0.227 -8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 12.794 -4.177 -5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 14.093 -2.200 -9.305 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.233 -4.128 -7.743 1.00 0.00 H new ATOM 122 N LYS A 9 10.986 4.572 -6.930 1.00 0.00 N ATOM 123 CA LYS A 9 10.377 5.888 -7.104 1.00 0.00 C ATOM 124 C LYS A 9 9.760 5.968 -8.496 1.00 0.00 C ATOM 125 O LYS A 9 10.346 5.432 -9.435 1.00 0.00 O ATOM 126 CB LYS A 9 11.438 6.983 -6.900 1.00 0.00 C ATOM 127 CG LYS A 9 12.481 7.042 -8.033 1.00 0.00 C ATOM 128 CD LYS A 9 13.679 7.898 -7.605 1.00 0.00 C ATOM 129 CE LYS A 9 14.648 8.238 -8.747 1.00 0.00 C ATOM 130 NZ LYS A 9 15.238 7.047 -9.396 1.00 0.00 N ATOM 0 H LYS A 9 11.527 4.274 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 9 9.591 6.041 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.941 7.950 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.950 6.811 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.815 6.035 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.029 7.460 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.311 8.826 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.227 7.372 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.120 8.826 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.450 8.864 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.275 7.110 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.925 6.189 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.929 7.003 -10.388 1.00 0.00 H new ATOM 144 N LEU A 10 8.603 6.617 -8.650 1.00 0.00 N ATOM 145 CA LEU A 10 7.979 6.756 -9.965 1.00 0.00 C ATOM 146 C LEU A 10 8.901 7.494 -10.932 1.00 0.00 C ATOM 147 O LEU A 10 9.557 8.455 -10.532 1.00 0.00 O ATOM 148 CB LEU A 10 6.627 7.461 -9.808 1.00 0.00 C ATOM 149 CG LEU A 10 5.832 7.594 -11.120 1.00 0.00 C ATOM 150 CD1 LEU A 10 4.338 7.548 -10.802 1.00 0.00 C ATOM 151 CD2 LEU A 10 6.086 8.920 -11.849 1.00 0.00 C ATOM 0 H LEU A 10 8.084 7.051 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 10 7.806 5.769 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.025 6.912 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.794 8.456 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 10 6.156 6.774 -11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.766 7.642 -11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.097 6.600 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.083 8.370 -10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.496 8.950 -12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.798 9.751 -11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.144 9.002 -12.096 1.00 0.00 H new ATOM 163 N VAL A 11 8.920 7.061 -12.200 1.00 0.00 N ATOM 164 CA VAL A 11 9.575 7.799 -13.276 1.00 0.00 C ATOM 165 C VAL A 11 8.636 8.052 -14.467 1.00 0.00 C ATOM 166 O VAL A 11 8.704 9.134 -15.047 1.00 0.00 O ATOM 167 CB VAL A 11 10.929 7.158 -13.629 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.806 5.763 -14.235 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.742 8.046 -14.576 1.00 0.00 C ATOM 0 H VAL A 11 8.482 6.191 -12.503 1.00 0.00 H new ATOM 0 HA VAL A 11 9.813 8.802 -12.922 1.00 0.00 H new ATOM 0 HB VAL A 11 11.450 7.059 -12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.800 5.374 -14.458 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.308 5.101 -13.526 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.222 5.816 -15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.692 7.562 -14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.183 8.201 -15.499 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.930 9.008 -14.100 1.00 0.00 H new ATOM 179 N ASP A 12 7.736 7.117 -14.811 1.00 0.00 N ATOM 180 CA ASP A 12 6.669 7.362 -15.787 1.00 0.00 C ATOM 181 C ASP A 12 5.320 6.883 -15.247 1.00 0.00 C ATOM 182 O ASP A 12 5.248 5.948 -14.446 1.00 0.00 O ATOM 183 CB ASP A 12 6.980 6.756 -17.173 1.00 0.00 C ATOM 184 CG ASP A 12 5.708 6.322 -17.907 1.00 0.00 C ATOM 185 OD1 ASP A 12 5.023 7.231 -18.428 1.00 0.00 O ATOM 186 OD2 ASP A 12 5.372 5.121 -17.848 1.00 0.00 O ATOM 0 H ASP A 12 7.730 6.175 -14.421 1.00 0.00 H new ATOM 0 HA ASP A 12 6.611 8.440 -15.936 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.515 7.488 -17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.641 5.897 -17.053 1.00 0.00 H new ATOM 191 N SER A 13 4.264 7.552 -15.716 1.00 0.00 N ATOM 192 CA SER A 13 2.865 7.199 -15.609 1.00 0.00 C ATOM 193 C SER A 13 2.108 8.129 -16.557 1.00 0.00 C ATOM 194 O SER A 13 2.633 9.154 -16.988 1.00 0.00 O ATOM 195 CB SER A 13 2.362 7.327 -14.161 1.00 0.00 C ATOM 196 OG SER A 13 0.949 7.191 -14.044 1.00 0.00 O ATOM 0 H SER A 13 4.388 8.429 -16.222 1.00 0.00 H new ATOM 0 HA SER A 13 2.704 6.157 -15.884 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.846 6.568 -13.547 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.661 8.297 -13.764 1.00 0.00 H new ATOM 0 HG SER A 13 0.693 6.264 -14.232 1.00 0.00 H new ATOM 202 N LYS A 14 0.854 7.778 -16.828 1.00 0.00 N ATOM 203 CA LYS A 14 -0.123 8.600 -17.521 1.00 0.00 C ATOM 204 C LYS A 14 -1.491 8.275 -16.922 1.00 0.00 C ATOM 205 O LYS A 14 -1.579 7.398 -16.057 1.00 0.00 O ATOM 206 CB LYS A 14 -0.067 8.338 -19.033 1.00 0.00 C ATOM 207 CG LYS A 14 -0.208 6.849 -19.374 1.00 0.00 C ATOM 208 CD LYS A 14 -0.340 6.672 -20.891 1.00 0.00 C ATOM 209 CE LYS A 14 -0.461 5.195 -21.286 1.00 0.00 C ATOM 210 NZ LYS A 14 0.785 4.438 -21.033 1.00 0.00 N ATOM 0 H LYS A 14 0.478 6.870 -16.556 1.00 0.00 H new ATOM 0 HA LYS A 14 0.085 9.662 -17.392 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.862 8.898 -19.526 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.878 8.711 -19.429 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.660 6.300 -19.009 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.082 6.433 -18.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.216 7.215 -21.245 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.528 7.110 -21.384 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.279 4.739 -20.729 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.717 5.125 -22.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.681 3.468 -21.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.579 4.904 -21.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.972 4.409 -20.010 1.00 0.00 H new ATOM 224 N ASN A 15 -2.543 8.953 -17.391 1.00 0.00 N ATOM 225 CA ASN A 15 -3.930 8.701 -16.998 1.00 0.00 C ATOM 226 C ASN A 15 -4.106 8.865 -15.485 1.00 0.00 C ATOM 227 O ASN A 15 -4.900 8.173 -14.856 1.00 0.00 O ATOM 228 CB ASN A 15 -4.387 7.315 -17.490 1.00 0.00 C ATOM 229 CG ASN A 15 -4.518 7.256 -19.010 1.00 0.00 C ATOM 230 OD1 ASN A 15 -3.517 7.286 -19.725 1.00 0.00 O ATOM 231 ND2 ASN A 15 -5.743 7.189 -19.517 1.00 0.00 N ATOM 0 H ASN A 15 -2.450 9.709 -18.070 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.571 9.443 -17.475 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.673 6.561 -17.159 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.346 7.068 -17.035 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.876 7.161 -20.528 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.552 7.166 -18.896 1.00 0.00 H new ATOM 238 N PHE A 16 -3.349 9.791 -14.892 1.00 0.00 N ATOM 239 CA PHE A 16 -3.283 9.974 -13.449 1.00 0.00 C ATOM 240 C PHE A 16 -4.667 10.319 -12.894 1.00 0.00 C ATOM 241 O PHE A 16 -5.188 9.647 -12.003 1.00 0.00 O ATOM 242 CB PHE A 16 -2.262 11.068 -13.083 1.00 0.00 C ATOM 243 CG PHE A 16 -1.069 11.217 -14.013 1.00 0.00 C ATOM 244 CD1 PHE A 16 -1.172 12.041 -15.151 1.00 0.00 C ATOM 245 CD2 PHE A 16 0.172 10.644 -13.681 1.00 0.00 C ATOM 246 CE1 PHE A 16 -0.065 12.224 -15.994 1.00 0.00 C ATOM 247 CE2 PHE A 16 1.291 10.873 -14.499 1.00 0.00 C ATOM 248 CZ PHE A 16 1.166 11.635 -15.670 1.00 0.00 C ATOM 0 H PHE A 16 -2.759 10.441 -15.411 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.952 9.039 -12.998 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.785 12.024 -13.042 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.889 10.865 -12.079 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.106 12.534 -15.376 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.264 10.029 -12.798 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.161 12.818 -16.891 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.251 10.461 -14.225 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.017 11.768 -16.322 1.00 0.00 H new ATOM 258 N ASP A 17 -5.243 11.401 -13.425 1.00 0.00 N ATOM 259 CA ASP A 17 -6.531 11.902 -12.982 1.00 0.00 C ATOM 260 C ASP A 17 -7.628 10.933 -13.431 1.00 0.00 C ATOM 261 O ASP A 17 -8.371 10.415 -12.601 1.00 0.00 O ATOM 262 CB ASP A 17 -6.734 13.336 -13.478 1.00 0.00 C ATOM 263 CG ASP A 17 -7.943 13.969 -12.805 1.00 0.00 C ATOM 264 OD1 ASP A 17 -9.068 13.545 -13.141 1.00 0.00 O ATOM 265 OD2 ASP A 17 -7.719 14.837 -11.930 1.00 0.00 O ATOM 0 H ASP A 17 -4.822 11.950 -14.175 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.576 11.951 -11.894 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.843 13.928 -13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.871 13.337 -14.559 1.00 0.00 H new ATOM 270 N ASP A 18 -7.643 10.621 -14.732 1.00 0.00 N ATOM 271 CA ASP A 18 -8.484 9.601 -15.358 1.00 0.00 C ATOM 272 C ASP A 18 -8.702 8.389 -14.445 1.00 0.00 C ATOM 273 O ASP A 18 -9.831 8.064 -14.084 1.00 0.00 O ATOM 274 CB ASP A 18 -7.843 9.183 -16.688 1.00 0.00 C ATOM 275 CG ASP A 18 -8.509 7.951 -17.290 1.00 0.00 C ATOM 276 OD1 ASP A 18 -9.754 7.924 -17.305 1.00 0.00 O ATOM 277 OD2 ASP A 18 -7.749 7.058 -17.729 1.00 0.00 O ATOM 0 H ASP A 18 -7.041 11.095 -15.405 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.471 10.026 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.907 10.010 -17.395 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.784 8.980 -16.530 1.00 0.00 H new ATOM 282 N TYR A 19 -7.616 7.736 -14.021 1.00 0.00 N ATOM 283 CA TYR A 19 -7.732 6.536 -13.208 1.00 0.00 C ATOM 284 C TYR A 19 -8.518 6.788 -11.913 1.00 0.00 C ATOM 285 O TYR A 19 -9.407 6.008 -11.567 1.00 0.00 O ATOM 286 CB TYR A 19 -6.345 5.930 -12.961 1.00 0.00 C ATOM 287 CG TYR A 19 -6.363 4.425 -12.793 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.347 3.597 -13.931 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.424 3.846 -11.514 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.367 2.202 -13.785 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.468 2.449 -11.373 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.430 1.627 -12.508 1.00 0.00 C ATOM 293 OH TYR A 19 -6.403 0.274 -12.364 1.00 0.00 O ATOM 0 H TYR A 19 -6.658 8.020 -14.228 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.317 5.800 -13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.692 6.186 -13.795 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.914 6.382 -12.068 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.319 4.036 -14.917 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.437 4.477 -10.637 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.334 1.569 -14.659 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.531 2.008 -10.389 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.454 0.045 -11.412 1.00 0.00 H new ATOM 303 N MET A 20 -8.225 7.877 -11.189 1.00 0.00 N ATOM 304 CA MET A 20 -9.002 8.193 -9.994 1.00 0.00 C ATOM 305 C MET A 20 -10.435 8.614 -10.336 1.00 0.00 C ATOM 306 O MET A 20 -11.343 8.381 -9.534 1.00 0.00 O ATOM 307 CB MET A 20 -8.310 9.215 -9.085 1.00 0.00 C ATOM 308 CG MET A 20 -8.018 10.578 -9.709 1.00 0.00 C ATOM 309 SD MET A 20 -7.579 11.822 -8.474 1.00 0.00 S ATOM 310 CE MET A 20 -7.636 13.336 -9.444 1.00 0.00 C ATOM 0 H MET A 20 -7.476 8.535 -11.405 1.00 0.00 H new ATOM 0 HA MET A 20 -9.064 7.268 -9.421 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.933 9.367 -8.203 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.369 8.786 -8.741 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.203 10.479 -10.426 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.893 10.915 -10.265 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.688 14.195 -8.775 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.739 13.408 -10.059 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.516 13.323 -10.087 1.00 0.00 H new ATOM 320 N LYS A 21 -10.637 9.226 -11.506 1.00 0.00 N ATOM 321 CA LYS A 21 -11.914 9.688 -12.042 1.00 0.00 C ATOM 322 C LYS A 21 -12.758 8.484 -12.493 1.00 0.00 C ATOM 323 O LYS A 21 -13.150 8.357 -13.651 1.00 0.00 O ATOM 324 CB LYS A 21 -11.603 10.672 -13.181 1.00 0.00 C ATOM 325 CG LYS A 21 -12.780 11.549 -13.613 1.00 0.00 C ATOM 326 CD LYS A 21 -12.271 12.488 -14.718 1.00 0.00 C ATOM 327 CE LYS A 21 -13.348 13.454 -15.225 1.00 0.00 C ATOM 328 NZ LYS A 21 -13.798 14.387 -14.173 1.00 0.00 N ATOM 0 H LYS A 21 -9.864 9.423 -12.141 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.509 10.206 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.782 11.318 -12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.253 10.107 -14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.602 10.935 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.162 12.122 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.425 13.062 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.903 11.892 -15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.957 14.022 -16.069 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.201 12.884 -15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.933 15.333 -14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.698 14.052 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.081 14.434 -13.421 1.00 0.00 H new ATOM 342 N SER A 22 -13.030 7.593 -11.540 1.00 0.00 N ATOM 343 CA SER A 22 -13.642 6.284 -11.694 1.00 0.00 C ATOM 344 C SER A 22 -13.631 5.617 -10.319 1.00 0.00 C ATOM 345 O SER A 22 -14.666 5.195 -9.814 1.00 0.00 O ATOM 346 CB SER A 22 -12.853 5.422 -12.691 1.00 0.00 C ATOM 347 OG SER A 22 -13.279 5.654 -14.016 1.00 0.00 O ATOM 0 H SER A 22 -12.808 7.789 -10.564 1.00 0.00 H new ATOM 0 HA SER A 22 -14.657 6.388 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.789 5.643 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.981 4.368 -12.445 1.00 0.00 H new ATOM 0 HG SER A 22 -13.329 6.619 -14.179 1.00 0.00 H new ATOM 353 N LEU A 23 -12.445 5.521 -9.711 1.00 0.00 N ATOM 354 CA LEU A 23 -12.294 4.909 -8.398 1.00 0.00 C ATOM 355 C LEU A 23 -12.908 5.771 -7.297 1.00 0.00 C ATOM 356 O LEU A 23 -13.444 5.239 -6.322 1.00 0.00 O ATOM 357 CB LEU A 23 -10.812 4.689 -8.091 1.00 0.00 C ATOM 358 CG LEU A 23 -10.065 3.799 -9.092 1.00 0.00 C ATOM 359 CD1 LEU A 23 -8.587 3.819 -8.693 1.00 0.00 C ATOM 360 CD2 LEU A 23 -10.567 2.355 -9.112 1.00 0.00 C ATOM 0 H LEU A 23 -11.573 5.863 -10.115 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.820 3.955 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.317 5.659 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.724 4.246 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.232 4.190 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.016 3.196 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.213 4.842 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.479 3.433 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.995 1.781 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.442 1.913 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.622 2.340 -9.385 1.00 0.00 H new ATOM 372 N GLY A 24 -12.769 7.093 -7.419 1.00 0.00 N ATOM 373 CA GLY A 24 -13.227 8.025 -6.403 1.00 0.00 C ATOM 374 C GLY A 24 -12.367 7.953 -5.142 1.00 0.00 C ATOM 375 O GLY A 24 -12.863 8.197 -4.047 1.00 0.00 O ATOM 0 H GLY A 24 -12.335 7.541 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.204 9.039 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.264 7.806 -6.149 1.00 0.00 H new ATOM 379 N VAL A 25 -11.066 7.671 -5.291 1.00 0.00 N ATOM 380 CA VAL A 25 -10.120 7.762 -4.181 1.00 0.00 C ATOM 381 C VAL A 25 -10.020 9.207 -3.680 1.00 0.00 C ATOM 382 O VAL A 25 -9.751 9.457 -2.510 1.00 0.00 O ATOM 383 CB VAL A 25 -8.734 7.218 -4.587 1.00 0.00 C ATOM 384 CG1 VAL A 25 -8.828 5.777 -5.101 1.00 0.00 C ATOM 385 CG2 VAL A 25 -8.028 8.078 -5.641 1.00 0.00 C ATOM 0 H VAL A 25 -10.648 7.377 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.491 7.142 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.136 7.250 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.835 5.424 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.235 5.137 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.481 5.744 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.060 7.638 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.639 8.123 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.883 9.085 -5.251 1.00 0.00 H new ATOM 395 N GLY A 26 -10.201 10.162 -4.597 1.00 0.00 N ATOM 396 CA GLY A 26 -10.078 11.581 -4.321 1.00 0.00 C ATOM 397 C GLY A 26 -10.015 12.336 -5.642 1.00 0.00 C ATOM 398 O GLY A 26 -8.951 12.829 -6.034 1.00 0.00 O ATOM 0 H GLY A 26 -10.441 9.958 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.927 11.925 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.181 11.774 -3.733 1.00 0.00 H new ATOM 402 N PHE A 27 -11.149 12.397 -6.354 1.00 0.00 N ATOM 403 CA PHE A 27 -11.261 13.196 -7.571 1.00 0.00 C ATOM 404 C PHE A 27 -10.848 14.639 -7.265 1.00 0.00 C ATOM 405 O PHE A 27 -10.957 15.082 -6.121 1.00 0.00 O ATOM 406 CB PHE A 27 -12.672 13.119 -8.171 1.00 0.00 C ATOM 407 CG PHE A 27 -12.816 13.962 -9.427 1.00 0.00 C ATOM 408 CD1 PHE A 27 -11.982 13.703 -10.532 1.00 0.00 C ATOM 409 CD2 PHE A 27 -13.535 15.171 -9.373 1.00 0.00 C ATOM 410 CE1 PHE A 27 -11.783 14.691 -11.511 1.00 0.00 C ATOM 411 CE2 PHE A 27 -13.379 16.134 -10.384 1.00 0.00 C ATOM 412 CZ PHE A 27 -12.473 15.911 -11.432 1.00 0.00 C ATOM 0 H PHE A 27 -12.002 11.898 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.588 12.791 -8.326 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.908 12.081 -8.405 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -13.398 13.451 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.495 12.744 -10.627 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.210 15.359 -8.551 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -11.098 14.511 -12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -13.957 17.046 -10.355 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.307 16.676 -12.176 1.00 0.00 H new ATOM 422 N ALA A 28 -10.237 15.315 -8.244 1.00 0.00 N ATOM 423 CA ALA A 28 -9.621 16.634 -8.112 1.00 0.00 C ATOM 424 C ALA A 28 -8.476 16.707 -7.089 1.00 0.00 C ATOM 425 O ALA A 28 -7.735 17.686 -7.085 1.00 0.00 O ATOM 426 CB ALA A 28 -10.686 17.700 -7.836 1.00 0.00 C ATOM 0 H ALA A 28 -10.156 14.939 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.148 16.836 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.209 18.675 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.399 17.724 -8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.209 17.460 -6.910 1.00 0.00 H new ATOM 432 N THR A 29 -8.295 15.691 -6.239 1.00 0.00 N ATOM 433 CA THR A 29 -7.412 15.743 -5.090 1.00 0.00 C ATOM 434 C THR A 29 -6.126 14.997 -5.431 1.00 0.00 C ATOM 435 O THR A 29 -5.060 15.602 -5.517 1.00 0.00 O ATOM 436 CB THR A 29 -8.150 15.166 -3.872 1.00 0.00 C ATOM 437 OG1 THR A 29 -9.445 15.716 -3.776 1.00 0.00 O ATOM 438 CG2 THR A 29 -7.444 15.488 -2.564 1.00 0.00 C ATOM 0 H THR A 29 -8.772 14.795 -6.341 1.00 0.00 H new ATOM 0 HA THR A 29 -7.132 16.766 -4.836 1.00 0.00 H new ATOM 0 HB THR A 29 -8.179 14.087 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.004 15.366 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.004 15.059 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.439 15.067 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.383 16.569 -2.440 1.00 0.00 H new ATOM 446 N ARG A 30 -6.206 13.691 -5.720 1.00 0.00 N ATOM 447 CA ARG A 30 -4.999 12.884 -5.925 1.00 0.00 C ATOM 448 C ARG A 30 -4.258 13.214 -7.235 1.00 0.00 C ATOM 449 O ARG A 30 -3.293 12.539 -7.584 1.00 0.00 O ATOM 450 CB ARG A 30 -5.303 11.382 -5.773 1.00 0.00 C ATOM 451 CG ARG A 30 -4.083 10.630 -5.226 1.00 0.00 C ATOM 452 CD ARG A 30 -4.351 9.129 -5.094 1.00 0.00 C ATOM 453 NE ARG A 30 -3.244 8.480 -4.376 1.00 0.00 N ATOM 454 CZ ARG A 30 -3.341 7.286 -3.772 1.00 0.00 C ATOM 455 NH1 ARG A 30 -4.355 6.465 -4.048 1.00 0.00 N ATOM 456 NH2 ARG A 30 -2.444 6.901 -2.864 1.00 0.00 N ATOM 0 H ARG A 30 -7.082 13.178 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.301 13.157 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.151 11.244 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.589 10.965 -6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.231 10.790 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.812 11.038 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.287 8.964 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.465 8.684 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.349 8.967 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.066 6.743 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.419 5.559 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.669 7.518 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.532 5.990 -2.414 1.00 0.00 H new ATOM 470 N GLN A 31 -4.670 14.260 -7.959 1.00 0.00 N ATOM 471 CA GLN A 31 -3.796 14.891 -8.935 1.00 0.00 C ATOM 472 C GLN A 31 -2.587 15.496 -8.206 1.00 0.00 C ATOM 473 O GLN A 31 -1.443 15.260 -8.598 1.00 0.00 O ATOM 474 CB GLN A 31 -4.553 15.875 -9.844 1.00 0.00 C ATOM 475 CG GLN A 31 -5.584 16.762 -9.142 1.00 0.00 C ATOM 476 CD GLN A 31 -6.226 17.754 -10.108 1.00 0.00 C ATOM 477 OE1 GLN A 31 -5.996 18.954 -10.003 1.00 0.00 O ATOM 478 NE2 GLN A 31 -7.027 17.284 -11.061 1.00 0.00 N ATOM 0 H GLN A 31 -5.597 14.680 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.414 14.142 -9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.825 16.517 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.060 15.306 -10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.357 16.137 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.103 17.305 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.204 16.282 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.464 17.926 -11.723 1.00 0.00 H new ATOM 487 N VAL A 32 -2.821 16.218 -7.101 1.00 0.00 N ATOM 488 CA VAL A 32 -1.721 16.763 -6.312 1.00 0.00 C ATOM 489 C VAL A 32 -0.916 15.606 -5.716 1.00 0.00 C ATOM 490 O VAL A 32 0.313 15.572 -5.818 1.00 0.00 O ATOM 491 CB VAL A 32 -2.213 17.802 -5.278 1.00 0.00 C ATOM 492 CG1 VAL A 32 -2.593 17.225 -3.905 1.00 0.00 C ATOM 493 CG2 VAL A 32 -1.137 18.878 -5.064 1.00 0.00 C ATOM 0 H VAL A 32 -3.751 16.433 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.045 17.329 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.126 18.213 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.925 18.031 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.398 16.500 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.726 16.734 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.491 19.606 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.223 18.411 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.933 19.381 -6.009 1.00 0.00 H new ATOM 503 N GLY A 33 -1.614 14.602 -5.172 1.00 0.00 N ATOM 504 CA GLY A 33 -1.016 13.405 -4.589 1.00 0.00 C ATOM 505 C GLY A 33 -0.530 12.404 -5.644 1.00 0.00 C ATOM 506 O GLY A 33 -0.723 11.198 -5.491 1.00 0.00 O ATOM 0 H GLY A 33 -2.633 14.604 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.176 13.696 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.747 12.918 -3.943 1.00 0.00 H new ATOM 510 N ASN A 34 0.121 12.909 -6.695 1.00 0.00 N ATOM 511 CA ASN A 34 0.888 12.153 -7.678 1.00 0.00 C ATOM 512 C ASN A 34 1.794 13.105 -8.465 1.00 0.00 C ATOM 513 O ASN A 34 2.909 12.730 -8.814 1.00 0.00 O ATOM 514 CB ASN A 34 0.022 11.265 -8.588 1.00 0.00 C ATOM 515 CG ASN A 34 -0.444 11.965 -9.859 1.00 0.00 C ATOM 516 OD1 ASN A 34 0.307 12.090 -10.819 1.00 0.00 O ATOM 517 ND2 ASN A 34 -1.695 12.399 -9.902 1.00 0.00 N ATOM 0 H ASN A 34 0.125 13.910 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 34 1.514 11.445 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.590 10.375 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.850 10.927 -8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.050 12.848 -10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.303 12.284 -9.091 1.00 0.00 H new ATOM 524 N MET A 35 1.361 14.356 -8.688 1.00 0.00 N ATOM 525 CA MET A 35 2.301 15.422 -9.023 1.00 0.00 C ATOM 526 C MET A 35 3.409 15.474 -7.963 1.00 0.00 C ATOM 527 O MET A 35 4.589 15.549 -8.299 1.00 0.00 O ATOM 528 CB MET A 35 1.570 16.767 -9.118 1.00 0.00 C ATOM 529 CG MET A 35 0.704 16.871 -10.383 1.00 0.00 C ATOM 530 SD MET A 35 1.591 16.967 -11.968 1.00 0.00 S ATOM 531 CE MET A 35 2.369 18.598 -11.817 1.00 0.00 C ATOM 0 H MET A 35 0.384 14.645 -8.642 1.00 0.00 H new ATOM 0 HA MET A 35 2.752 15.217 -9.994 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.941 16.899 -8.238 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.300 17.576 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.041 16.006 -10.415 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.072 17.754 -10.292 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.818 18.877 -12.770 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.616 19.336 -11.541 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.141 18.563 -11.049 1.00 0.00 H new ATOM 541 N THR A 36 3.030 15.398 -6.685 1.00 0.00 N ATOM 542 CA THR A 36 3.981 15.177 -5.607 1.00 0.00 C ATOM 543 C THR A 36 4.609 13.789 -5.804 1.00 0.00 C ATOM 544 O THR A 36 3.922 12.782 -5.629 1.00 0.00 O ATOM 545 CB THR A 36 3.274 15.304 -4.246 1.00 0.00 C ATOM 546 OG1 THR A 36 2.427 16.436 -4.240 1.00 0.00 O ATOM 547 CG2 THR A 36 4.285 15.486 -3.111 1.00 0.00 C ATOM 0 H THR A 36 2.062 15.488 -6.376 1.00 0.00 H new ATOM 0 HA THR A 36 4.771 15.928 -5.624 1.00 0.00 H new ATOM 0 HB THR A 36 2.704 14.388 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.569 16.205 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.755 15.573 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.952 14.625 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.868 16.390 -3.285 1.00 0.00 H new ATOM 555 N LYS A 37 5.889 13.747 -6.196 1.00 0.00 N ATOM 556 CA LYS A 37 6.666 12.545 -6.502 1.00 0.00 C ATOM 557 C LYS A 37 6.288 11.360 -5.598 1.00 0.00 C ATOM 558 O LYS A 37 6.699 11.343 -4.441 1.00 0.00 O ATOM 559 CB LYS A 37 8.160 12.878 -6.330 1.00 0.00 C ATOM 560 CG LYS A 37 9.090 11.735 -6.779 1.00 0.00 C ATOM 561 CD LYS A 37 10.437 11.765 -6.041 1.00 0.00 C ATOM 562 CE LYS A 37 11.199 13.081 -6.260 1.00 0.00 C ATOM 563 NZ LYS A 37 12.494 13.094 -5.548 1.00 0.00 N ATOM 0 H LYS A 37 6.438 14.599 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 37 6.448 12.244 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.394 13.775 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.357 13.108 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.600 10.778 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.263 11.809 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.266 11.621 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.052 10.932 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.370 13.228 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.588 13.916 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.977 13.999 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.330 12.979 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.088 12.313 -5.893 1.00 0.00 H new ATOM 577 N PRO A 38 5.544 10.355 -6.086 1.00 0.00 N ATOM 578 CA PRO A 38 5.205 9.199 -5.283 1.00 0.00 C ATOM 579 C PRO A 38 6.404 8.247 -5.229 1.00 0.00 C ATOM 580 O PRO A 38 6.917 7.807 -6.263 1.00 0.00 O ATOM 581 CB PRO A 38 3.980 8.581 -5.954 1.00 0.00 C ATOM 582 CG PRO A 38 4.161 8.949 -7.425 1.00 0.00 C ATOM 583 CD PRO A 38 4.922 10.276 -7.397 1.00 0.00 C ATOM 0 HA PRO A 38 4.973 9.445 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.945 7.501 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.053 8.986 -5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.721 8.182 -7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.200 9.053 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.672 10.312 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.247 11.116 -7.560 1.00 0.00 H new ATOM 591 N THR A 39 6.840 7.934 -4.010 1.00 0.00 N ATOM 592 CA THR A 39 7.833 6.910 -3.748 1.00 0.00 C ATOM 593 C THR A 39 7.137 5.545 -3.789 1.00 0.00 C ATOM 594 O THR A 39 5.930 5.437 -4.024 1.00 0.00 O ATOM 595 CB THR A 39 8.451 7.214 -2.374 1.00 0.00 C ATOM 596 OG1 THR A 39 8.823 8.571 -2.333 1.00 0.00 O ATOM 597 CG2 THR A 39 9.715 6.437 -2.015 1.00 0.00 C ATOM 0 H THR A 39 6.503 8.397 -3.166 1.00 0.00 H new ATOM 0 HA THR A 39 8.630 6.896 -4.491 1.00 0.00 H new ATOM 0 HB THR A 39 7.675 6.925 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.355 9.016 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.057 6.737 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.498 5.369 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.493 6.650 -2.748 1.00 0.00 H new ATOM 605 N THR A 40 7.892 4.475 -3.571 1.00 0.00 N ATOM 606 CA THR A 40 7.346 3.145 -3.404 1.00 0.00 C ATOM 607 C THR A 40 8.307 2.348 -2.524 1.00 0.00 C ATOM 608 O THR A 40 9.218 1.702 -3.036 1.00 0.00 O ATOM 609 CB THR A 40 7.122 2.500 -4.783 1.00 0.00 C ATOM 610 OG1 THR A 40 6.631 3.439 -5.708 1.00 0.00 O ATOM 611 CG2 THR A 40 6.057 1.418 -4.692 1.00 0.00 C ATOM 0 H THR A 40 8.909 4.513 -3.506 1.00 0.00 H new ATOM 0 HA THR A 40 6.374 3.170 -2.912 1.00 0.00 H new ATOM 0 HB THR A 40 8.085 2.100 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.455 2.994 -6.563 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.909 0.970 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.378 0.650 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.121 1.857 -4.348 1.00 0.00 H new ATOM 619 N ILE A 41 8.135 2.402 -1.201 1.00 0.00 N ATOM 620 CA ILE A 41 8.850 1.496 -0.308 1.00 0.00 C ATOM 621 C ILE A 41 8.105 0.167 -0.371 1.00 0.00 C ATOM 622 O ILE A 41 6.882 0.162 -0.228 1.00 0.00 O ATOM 623 CB ILE A 41 8.925 2.085 1.111 1.00 0.00 C ATOM 624 CG1 ILE A 41 9.912 3.264 1.144 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.325 1.019 2.144 1.00 0.00 C ATOM 626 CD1 ILE A 41 9.884 4.040 2.463 1.00 0.00 C ATOM 0 H ILE A 41 7.512 3.058 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 41 9.887 1.348 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 41 7.932 2.446 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.921 2.889 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.681 3.945 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.368 1.471 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.587 0.216 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.303 0.613 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.603 4.858 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.885 4.444 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.144 3.372 3.284 1.00 0.00 H new ATOM 638 N ILE A 42 8.825 -0.931 -0.626 1.00 0.00 N ATOM 639 CA ILE A 42 8.265 -2.267 -0.752 1.00 0.00 C ATOM 640 C ILE A 42 9.044 -3.196 0.177 1.00 0.00 C ATOM 641 O ILE A 42 10.164 -3.610 -0.135 1.00 0.00 O ATOM 642 CB ILE A 42 8.291 -2.732 -2.215 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.460 -1.774 -3.081 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.729 -4.155 -2.319 1.00 0.00 C ATOM 645 CD1 ILE A 42 7.337 -2.219 -4.540 1.00 0.00 C ATOM 0 H ILE A 42 9.837 -0.907 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 42 7.216 -2.276 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 42 9.321 -2.731 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.462 -1.683 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.913 -0.783 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.750 -4.479 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.335 -4.831 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.701 -4.168 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.737 -1.495 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.330 -2.283 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.856 -3.196 -4.583 1.00 0.00 H new ATOM 657 N GLU A 43 8.442 -3.499 1.326 1.00 0.00 N ATOM 658 CA GLU A 43 9.062 -4.222 2.421 1.00 0.00 C ATOM 659 C GLU A 43 8.436 -5.615 2.504 1.00 0.00 C ATOM 660 O GLU A 43 7.237 -5.737 2.752 1.00 0.00 O ATOM 661 CB GLU A 43 8.847 -3.405 3.700 1.00 0.00 C ATOM 662 CG GLU A 43 9.703 -3.898 4.872 1.00 0.00 C ATOM 663 CD GLU A 43 9.520 -3.023 6.111 1.00 0.00 C ATOM 664 OE1 GLU A 43 8.703 -2.078 6.038 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.214 -3.314 7.107 1.00 0.00 O ATOM 0 H GLU A 43 7.476 -3.236 1.521 1.00 0.00 H new ATOM 0 HA GLU A 43 10.134 -4.354 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.080 -2.359 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.795 -3.449 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.436 -4.927 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.753 -3.901 4.580 1.00 0.00 H new ATOM 672 N VAL A 44 9.233 -6.662 2.266 1.00 0.00 N ATOM 673 CA VAL A 44 8.781 -8.043 2.360 1.00 0.00 C ATOM 674 C VAL A 44 8.741 -8.451 3.833 1.00 0.00 C ATOM 675 O VAL A 44 9.768 -8.744 4.443 1.00 0.00 O ATOM 676 CB VAL A 44 9.665 -8.964 1.503 1.00 0.00 C ATOM 677 CG1 VAL A 44 9.278 -10.437 1.708 1.00 0.00 C ATOM 678 CG2 VAL A 44 9.498 -8.614 0.016 1.00 0.00 C ATOM 0 H VAL A 44 10.214 -6.569 2.002 1.00 0.00 H new ATOM 0 HA VAL A 44 7.772 -8.140 1.959 1.00 0.00 H new ATOM 0 HB VAL A 44 10.701 -8.818 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.917 -11.070 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.406 -10.704 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.237 -10.583 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.127 -9.270 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.455 -8.745 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.793 -7.578 -0.149 1.00 0.00 H new ATOM 688 N ASN A 45 7.537 -8.499 4.399 1.00 0.00 N ATOM 689 CA ASN A 45 7.273 -8.957 5.753 1.00 0.00 C ATOM 690 C ASN A 45 7.309 -10.488 5.771 1.00 0.00 C ATOM 691 O ASN A 45 6.303 -11.156 6.001 1.00 0.00 O ATOM 692 CB ASN A 45 5.928 -8.386 6.216 1.00 0.00 C ATOM 693 CG ASN A 45 5.641 -8.711 7.679 1.00 0.00 C ATOM 694 OD1 ASN A 45 6.180 -8.072 8.576 1.00 0.00 O ATOM 695 ND2 ASN A 45 4.782 -9.688 7.940 1.00 0.00 N ATOM 0 H ASN A 45 6.692 -8.209 3.907 1.00 0.00 H new ATOM 0 HA ASN A 45 8.033 -8.604 6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.927 -7.305 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.130 -8.788 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.556 -9.923 8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.348 -10.204 7.174 1.00 0.00 H new ATOM 702 N GLY A 46 8.488 -11.050 5.500 1.00 0.00 N ATOM 703 CA GLY A 46 8.708 -12.488 5.469 1.00 0.00 C ATOM 704 C GLY A 46 7.873 -13.166 4.381 1.00 0.00 C ATOM 705 O GLY A 46 8.349 -13.348 3.262 1.00 0.00 O ATOM 0 H GLY A 46 9.326 -10.507 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.765 -12.691 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.457 -12.915 6.440 1.00 0.00 H new ATOM 709 N ASP A 47 6.639 -13.553 4.717 1.00 0.00 N ATOM 710 CA ASP A 47 5.694 -14.169 3.792 1.00 0.00 C ATOM 711 C ASP A 47 4.900 -13.087 3.053 1.00 0.00 C ATOM 712 O ASP A 47 4.567 -13.235 1.875 1.00 0.00 O ATOM 713 CB ASP A 47 4.765 -15.136 4.551 1.00 0.00 C ATOM 714 CG ASP A 47 3.424 -14.514 4.925 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.427 -13.627 5.807 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.429 -14.897 4.273 1.00 0.00 O ATOM 0 H ASP A 47 6.265 -13.443 5.660 1.00 0.00 H new ATOM 0 HA ASP A 47 6.241 -14.748 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.590 -16.018 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.266 -15.474 5.458 1.00 0.00 H new ATOM 721 N THR A 48 4.576 -12.020 3.781 1.00 0.00 N ATOM 722 CA THR A 48 3.719 -10.926 3.380 1.00 0.00 C ATOM 723 C THR A 48 4.600 -9.814 2.824 1.00 0.00 C ATOM 724 O THR A 48 5.826 -9.886 2.884 1.00 0.00 O ATOM 725 CB THR A 48 2.903 -10.472 4.610 1.00 0.00 C ATOM 726 OG1 THR A 48 3.456 -10.967 5.815 1.00 0.00 O ATOM 727 CG2 THR A 48 1.467 -10.987 4.560 1.00 0.00 C ATOM 0 H THR A 48 4.933 -11.897 4.728 1.00 0.00 H new ATOM 0 HA THR A 48 3.014 -11.219 2.602 1.00 0.00 H new ATOM 0 HB THR A 48 2.927 -9.383 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.242 -11.919 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.927 -10.646 5.443 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.975 -10.607 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.472 -12.077 4.537 1.00 0.00 H new ATOM 735 N VAL A 49 3.990 -8.772 2.270 1.00 0.00 N ATOM 736 CA VAL A 49 4.718 -7.661 1.699 1.00 0.00 C ATOM 737 C VAL A 49 3.854 -6.408 1.785 1.00 0.00 C ATOM 738 O VAL A 49 2.674 -6.421 1.434 1.00 0.00 O ATOM 739 CB VAL A 49 5.220 -8.022 0.290 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.125 -8.633 -0.589 1.00 0.00 C ATOM 741 CG2 VAL A 49 5.861 -6.817 -0.414 1.00 0.00 C ATOM 0 H VAL A 49 2.976 -8.680 2.208 1.00 0.00 H new ATOM 0 HA VAL A 49 5.624 -7.441 2.264 1.00 0.00 H new ATOM 0 HB VAL A 49 5.986 -8.784 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.536 -8.868 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.752 -9.545 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.307 -7.921 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.202 -7.114 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.126 -6.017 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.710 -6.463 0.171 1.00 0.00 H new ATOM 751 N ILE A 50 4.452 -5.338 2.305 1.00 0.00 N ATOM 752 CA ILE A 50 3.842 -4.030 2.438 1.00 0.00 C ATOM 753 C ILE A 50 4.427 -3.148 1.339 1.00 0.00 C ATOM 754 O ILE A 50 5.644 -3.118 1.163 1.00 0.00 O ATOM 755 CB ILE A 50 4.085 -3.506 3.869 1.00 0.00 C ATOM 756 CG1 ILE A 50 2.891 -3.919 4.748 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.280 -1.987 3.924 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.164 -3.788 6.250 1.00 0.00 C ATOM 0 H ILE A 50 5.409 -5.366 2.656 1.00 0.00 H new ATOM 0 HA ILE A 50 2.760 -4.047 2.308 1.00 0.00 H new ATOM 0 HB ILE A 50 5.011 -3.947 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.029 -3.304 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.625 -4.952 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.447 -1.679 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.143 -1.709 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.390 -1.492 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.280 -4.096 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.006 -4.424 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.401 -2.751 6.488 1.00 0.00 H new ATOM 770 N ILE A 51 3.558 -2.446 0.608 1.00 0.00 N ATOM 771 CA ILE A 51 3.922 -1.399 -0.334 1.00 0.00 C ATOM 772 C ILE A 51 3.365 -0.090 0.218 1.00 0.00 C ATOM 773 O ILE A 51 2.184 -0.039 0.567 1.00 0.00 O ATOM 774 CB ILE A 51 3.426 -1.728 -1.757 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.766 -0.585 -2.731 1.00 0.00 C ATOM 776 CG2 ILE A 51 1.922 -2.009 -1.842 1.00 0.00 C ATOM 777 CD1 ILE A 51 3.598 -1.017 -4.193 1.00 0.00 C ATOM 0 H ILE A 51 2.551 -2.600 0.661 1.00 0.00 H new ATOM 0 HA ILE A 51 5.004 -1.312 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 51 3.947 -2.644 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.121 0.270 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.792 -0.258 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.651 -2.232 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.675 -2.862 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.369 -1.133 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.847 -0.183 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.262 -1.855 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.565 -1.320 -4.367 1.00 0.00 H new ATOM 789 N LYS A 52 4.205 0.945 0.332 1.00 0.00 N ATOM 790 CA LYS A 52 3.804 2.229 0.891 1.00 0.00 C ATOM 791 C LYS A 52 4.322 3.388 0.032 1.00 0.00 C ATOM 792 O LYS A 52 5.482 3.392 -0.393 1.00 0.00 O ATOM 793 CB LYS A 52 4.172 2.293 2.378 1.00 0.00 C ATOM 794 CG LYS A 52 5.668 2.368 2.695 1.00 0.00 C ATOM 795 CD LYS A 52 5.915 2.475 4.211 1.00 0.00 C ATOM 796 CE LYS A 52 5.652 1.140 4.934 1.00 0.00 C ATOM 797 NZ LYS A 52 4.926 1.303 6.210 1.00 0.00 N ATOM 0 H LYS A 52 5.181 0.910 0.038 1.00 0.00 H new ATOM 0 HA LYS A 52 2.720 2.335 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.684 3.164 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.759 1.414 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.169 1.482 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.106 3.230 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.944 2.787 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.270 3.247 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.078 0.486 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.604 0.644 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.376 0.443 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.607 1.464 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.282 2.117 6.142 1.00 0.00 H new ATOM 811 N THR A 53 3.415 4.319 -0.280 1.00 0.00 N ATOM 812 CA THR A 53 3.515 5.265 -1.385 1.00 0.00 C ATOM 813 C THR A 53 4.415 6.461 -1.067 1.00 0.00 C ATOM 814 O THR A 53 5.001 7.056 -1.967 1.00 0.00 O ATOM 815 CB THR A 53 2.093 5.741 -1.735 1.00 0.00 C ATOM 816 OG1 THR A 53 1.118 4.857 -1.218 1.00 0.00 O ATOM 817 CG2 THR A 53 1.888 5.854 -3.244 1.00 0.00 C ATOM 0 H THR A 53 2.555 4.435 0.257 1.00 0.00 H new ATOM 0 HA THR A 53 3.978 4.758 -2.232 1.00 0.00 H new ATOM 0 HB THR A 53 1.979 6.726 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.707 5.253 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.872 6.193 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.599 6.570 -3.655 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.046 4.880 -3.707 1.00 0.00 H new ATOM 825 N GLN A 54 4.485 6.836 0.214 1.00 0.00 N ATOM 826 CA GLN A 54 5.430 7.791 0.782 1.00 0.00 C ATOM 827 C GLN A 54 5.808 8.932 -0.178 1.00 0.00 C ATOM 828 O GLN A 54 6.981 9.159 -0.461 1.00 0.00 O ATOM 829 CB GLN A 54 6.638 6.990 1.311 1.00 0.00 C ATOM 830 CG GLN A 54 6.528 6.654 2.804 1.00 0.00 C ATOM 831 CD GLN A 54 5.184 6.081 3.251 1.00 0.00 C ATOM 832 OE1 GLN A 54 4.495 5.410 2.495 1.00 0.00 O ATOM 833 NE2 GLN A 54 4.779 6.355 4.484 1.00 0.00 N ATOM 0 H GLN A 54 3.848 6.459 0.916 1.00 0.00 H new ATOM 0 HA GLN A 54 4.960 8.324 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.731 6.065 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.550 7.562 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.311 5.938 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.727 7.559 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.366 6.916 5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.880 6.005 4.815 1.00 0.00 H new ATOM 842 N SER A 55 4.808 9.674 -0.662 1.00 0.00 N ATOM 843 CA SER A 55 5.050 10.849 -1.489 1.00 0.00 C ATOM 844 C SER A 55 5.746 11.899 -0.622 1.00 0.00 C ATOM 845 O SER A 55 6.897 12.254 -0.861 1.00 0.00 O ATOM 846 CB SER A 55 3.728 11.353 -2.084 1.00 0.00 C ATOM 847 OG SER A 55 3.938 12.416 -2.981 1.00 0.00 O ATOM 0 H SER A 55 3.822 9.477 -0.492 1.00 0.00 H new ATOM 0 HA SER A 55 5.697 10.613 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.225 10.535 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.067 11.679 -1.281 1.00 0.00 H new ATOM 0 HG SER A 55 3.831 12.094 -3.900 1.00 0.00 H new ATOM 853 N THR A 56 5.065 12.317 0.448 1.00 0.00 N ATOM 854 CA THR A 56 5.616 13.196 1.467 1.00 0.00 C ATOM 855 C THR A 56 5.693 12.396 2.765 1.00 0.00 C ATOM 856 O THR A 56 5.004 12.703 3.734 1.00 0.00 O ATOM 857 CB THR A 56 4.744 14.458 1.595 1.00 0.00 C ATOM 858 OG1 THR A 56 4.444 14.939 0.297 1.00 0.00 O ATOM 859 CG2 THR A 56 5.477 15.550 2.389 1.00 0.00 C ATOM 0 H THR A 56 4.098 12.046 0.628 1.00 0.00 H new ATOM 0 HA THR A 56 6.617 13.541 1.207 1.00 0.00 H new ATOM 0 HB THR A 56 3.827 14.204 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.887 15.742 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.841 16.432 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.708 15.180 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.402 15.813 1.877 1.00 0.00 H new ATOM 867 N PHE A 57 6.481 11.315 2.772 1.00 0.00 N ATOM 868 CA PHE A 57 6.820 10.530 3.964 1.00 0.00 C ATOM 869 C PHE A 57 5.654 9.722 4.570 1.00 0.00 C ATOM 870 O PHE A 57 5.888 8.750 5.286 1.00 0.00 O ATOM 871 CB PHE A 57 7.500 11.433 5.006 1.00 0.00 C ATOM 872 CG PHE A 57 8.268 10.690 6.082 1.00 0.00 C ATOM 873 CD1 PHE A 57 9.497 10.080 5.771 1.00 0.00 C ATOM 874 CD2 PHE A 57 7.779 10.640 7.400 1.00 0.00 C ATOM 875 CE1 PHE A 57 10.236 9.431 6.774 1.00 0.00 C ATOM 876 CE2 PHE A 57 8.523 9.998 8.403 1.00 0.00 C ATOM 877 CZ PHE A 57 9.752 9.394 8.092 1.00 0.00 C ATOM 0 H PHE A 57 6.913 10.951 1.923 1.00 0.00 H new ATOM 0 HA PHE A 57 7.519 9.762 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.183 12.108 4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.740 12.052 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.873 10.111 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.830 11.096 7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.177 8.960 6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.149 9.969 9.416 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.324 8.902 8.865 1.00 0.00 H new ATOM 887 N LYS A 58 4.402 10.089 4.291 1.00 0.00 N ATOM 888 CA LYS A 58 3.216 9.505 4.899 1.00 0.00 C ATOM 889 C LYS A 58 2.088 9.539 3.867 1.00 0.00 C ATOM 890 O LYS A 58 1.359 10.525 3.797 1.00 0.00 O ATOM 891 CB LYS A 58 2.899 10.334 6.156 1.00 0.00 C ATOM 892 CG LYS A 58 1.646 9.884 6.918 1.00 0.00 C ATOM 893 CD LYS A 58 1.457 10.792 8.141 1.00 0.00 C ATOM 894 CE LYS A 58 0.146 10.469 8.874 1.00 0.00 C ATOM 895 NZ LYS A 58 -0.066 11.348 10.044 1.00 0.00 N ATOM 0 H LYS A 58 4.184 10.822 3.616 1.00 0.00 H new ATOM 0 HA LYS A 58 3.355 8.466 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.754 10.289 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.777 11.378 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.771 9.937 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.748 8.845 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.298 10.668 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.453 11.835 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.691 10.576 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.160 9.429 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.961 11.096 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.719 11.228 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.105 12.339 9.731 1.00 0.00 H new ATOM 909 N ASN A 59 1.955 8.508 3.022 1.00 0.00 N ATOM 910 CA ASN A 59 0.887 8.414 2.015 1.00 0.00 C ATOM 911 C ASN A 59 0.310 6.994 2.002 1.00 0.00 C ATOM 912 O ASN A 59 0.247 6.346 0.954 1.00 0.00 O ATOM 913 CB ASN A 59 1.395 8.807 0.613 1.00 0.00 C ATOM 914 CG ASN A 59 1.303 10.284 0.236 1.00 0.00 C ATOM 915 OD1 ASN A 59 0.952 10.594 -0.896 1.00 0.00 O ATOM 916 ND2 ASN A 59 1.657 11.214 1.115 1.00 0.00 N ATOM 0 H ASN A 59 2.590 7.709 3.017 1.00 0.00 H new ATOM 0 HA ASN A 59 0.100 9.118 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.438 8.500 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.835 8.233 -0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.639 12.199 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.947 10.943 2.055 1.00 0.00 H new ATOM 923 N THR A 60 -0.153 6.533 3.168 1.00 0.00 N ATOM 924 CA THR A 60 -0.842 5.253 3.352 1.00 0.00 C ATOM 925 C THR A 60 0.007 4.048 2.913 1.00 0.00 C ATOM 926 O THR A 60 1.123 4.201 2.409 1.00 0.00 O ATOM 927 CB THR A 60 -2.255 5.273 2.714 1.00 0.00 C ATOM 928 OG1 THR A 60 -2.331 6.084 1.563 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.282 5.831 3.696 1.00 0.00 C ATOM 0 H THR A 60 -0.055 7.058 4.037 1.00 0.00 H new ATOM 0 HA THR A 60 -0.987 5.119 4.424 1.00 0.00 H new ATOM 0 HB THR A 60 -2.461 4.236 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.533 5.944 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.267 5.836 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.308 5.207 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.006 6.849 3.972 1.00 0.00 H new ATOM 937 N GLU A 61 -0.511 2.836 3.142 1.00 0.00 N ATOM 938 CA GLU A 61 0.152 1.612 2.747 1.00 0.00 C ATOM 939 C GLU A 61 -0.864 0.513 2.465 1.00 0.00 C ATOM 940 O GLU A 61 -2.003 0.570 2.925 1.00 0.00 O ATOM 941 CB GLU A 61 1.226 1.226 3.767 1.00 0.00 C ATOM 942 CG GLU A 61 0.791 1.033 5.222 1.00 0.00 C ATOM 943 CD GLU A 61 2.040 1.100 6.086 1.00 0.00 C ATOM 944 OE1 GLU A 61 2.512 2.233 6.337 1.00 0.00 O ATOM 945 OE2 GLU A 61 2.671 0.050 6.339 1.00 0.00 O ATOM 0 H GLU A 61 -1.406 2.688 3.609 1.00 0.00 H new ATOM 0 HA GLU A 61 0.680 1.771 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.690 0.299 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.998 1.995 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.080 1.806 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.289 0.074 5.348 1.00 0.00 H new ATOM 952 N ILE A 62 -0.435 -0.439 1.640 1.00 0.00 N ATOM 953 CA ILE A 62 -1.204 -1.525 1.058 1.00 0.00 C ATOM 954 C ILE A 62 -0.375 -2.774 1.377 1.00 0.00 C ATOM 955 O ILE A 62 0.854 -2.686 1.447 1.00 0.00 O ATOM 956 CB ILE A 62 -1.374 -1.189 -0.439 1.00 0.00 C ATOM 957 CG1 ILE A 62 -2.431 -0.078 -0.586 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.727 -2.370 -1.348 1.00 0.00 C ATOM 959 CD1 ILE A 62 -2.556 0.453 -2.017 1.00 0.00 C ATOM 0 H ILE A 62 0.539 -0.469 1.340 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.213 -1.683 1.437 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.392 -0.863 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.399 -0.461 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.176 0.747 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.823 -2.022 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.939 -3.121 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.671 -2.809 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.317 1.233 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.599 0.866 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.841 -0.361 -2.684 1.00 0.00 H new ATOM 971 N SER A 63 -1.012 -3.905 1.683 1.00 0.00 N ATOM 972 CA SER A 63 -0.429 -4.897 2.579 1.00 0.00 C ATOM 973 C SER A 63 -0.921 -6.277 2.174 1.00 0.00 C ATOM 974 O SER A 63 -2.032 -6.655 2.539 1.00 0.00 O ATOM 975 CB SER A 63 -0.831 -4.559 4.022 1.00 0.00 C ATOM 976 OG SER A 63 -2.238 -4.449 4.120 1.00 0.00 O ATOM 0 H SER A 63 -1.933 -4.155 1.322 1.00 0.00 H new ATOM 0 HA SER A 63 0.659 -4.889 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.471 -5.333 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.363 -3.624 4.329 1.00 0.00 H new ATOM 0 HG SER A 63 -2.659 -5.161 3.595 1.00 0.00 H new ATOM 982 N PHE A 64 -0.114 -7.008 1.407 1.00 0.00 N ATOM 983 CA PHE A 64 -0.582 -8.126 0.611 1.00 0.00 C ATOM 984 C PHE A 64 0.383 -9.307 0.709 1.00 0.00 C ATOM 985 O PHE A 64 1.411 -9.230 1.378 1.00 0.00 O ATOM 986 CB PHE A 64 -0.787 -7.623 -0.825 1.00 0.00 C ATOM 987 CG PHE A 64 0.469 -7.163 -1.550 1.00 0.00 C ATOM 988 CD1 PHE A 64 1.011 -5.887 -1.296 1.00 0.00 C ATOM 989 CD2 PHE A 64 1.141 -8.037 -2.419 1.00 0.00 C ATOM 990 CE1 PHE A 64 2.234 -5.514 -1.877 1.00 0.00 C ATOM 991 CE2 PHE A 64 2.299 -7.613 -3.095 1.00 0.00 C ATOM 992 CZ PHE A 64 2.860 -6.360 -2.809 1.00 0.00 C ATOM 0 H PHE A 64 0.888 -6.835 1.324 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.534 -8.504 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.248 -8.421 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.495 -6.795 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.485 -5.196 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.767 -9.039 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.695 -4.575 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.757 -8.253 -3.835 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.768 -6.047 -3.302 1.00 0.00 H new ATOM 1002 N LYS A 65 0.024 -10.419 0.067 1.00 0.00 N ATOM 1003 CA LYS A 65 0.761 -11.670 0.109 1.00 0.00 C ATOM 1004 C LYS A 65 0.469 -12.379 -1.211 1.00 0.00 C ATOM 1005 O LYS A 65 -0.693 -12.630 -1.523 1.00 0.00 O ATOM 1006 CB LYS A 65 0.266 -12.488 1.316 1.00 0.00 C ATOM 1007 CG LYS A 65 1.157 -13.652 1.773 1.00 0.00 C ATOM 1008 CD LYS A 65 1.567 -14.576 0.628 1.00 0.00 C ATOM 1009 CE LYS A 65 2.085 -15.924 1.130 1.00 0.00 C ATOM 1010 NZ LYS A 65 2.643 -16.708 0.010 1.00 0.00 N ATOM 0 H LYS A 65 -0.814 -10.469 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 65 1.836 -11.528 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.137 -11.808 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.719 -12.888 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.053 -13.252 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.628 -14.232 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.712 -14.739 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.340 -14.091 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.851 -15.767 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.275 -16.479 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.708 -17.709 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.023 -16.617 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.591 -16.351 -0.225 1.00 0.00 H new ATOM 1024 N LEU A 66 1.503 -12.704 -1.992 1.00 0.00 N ATOM 1025 CA LEU A 66 1.331 -13.532 -3.179 1.00 0.00 C ATOM 1026 C LEU A 66 0.803 -14.918 -2.777 1.00 0.00 C ATOM 1027 O LEU A 66 1.537 -15.749 -2.234 1.00 0.00 O ATOM 1028 CB LEU A 66 2.608 -13.592 -4.037 1.00 0.00 C ATOM 1029 CG LEU A 66 3.918 -13.770 -3.250 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.888 -14.621 -4.080 1.00 0.00 C ATOM 1031 CD2 LEU A 66 4.582 -12.421 -2.923 1.00 0.00 C ATOM 0 H LEU A 66 2.463 -12.405 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 66 0.582 -13.070 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.513 -14.416 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.676 -12.675 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 66 3.680 -14.262 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.820 -14.752 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.441 -15.596 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.093 -14.120 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.503 -12.594 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.811 -11.894 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.903 -11.818 -2.321 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.491 -15.134 -3.010 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.213 -16.379 -2.800 1.00 0.00 C ATOM 1045 C GLY A 67 -2.200 -16.274 -1.636 1.00 0.00 C ATOM 1046 O GLY A 67 -2.312 -17.217 -0.857 1.00 0.00 O ATOM 0 H GLY A 67 -1.096 -14.397 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.751 -16.645 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.503 -17.182 -2.603 1.00 0.00 H new ATOM 1050 N VAL A 68 -2.903 -15.142 -1.509 1.00 0.00 N ATOM 1051 CA VAL A 68 -3.919 -14.895 -0.486 1.00 0.00 C ATOM 1052 C VAL A 68 -4.975 -13.970 -1.095 1.00 0.00 C ATOM 1053 O VAL A 68 -4.628 -13.150 -1.952 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.265 -14.250 0.756 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -4.264 -13.800 1.831 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -2.278 -15.213 1.430 1.00 0.00 C ATOM 0 H VAL A 68 -2.774 -14.349 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.386 -15.826 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.759 -13.368 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.723 -13.358 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.945 -13.061 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.834 -14.661 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.835 -14.729 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.806 -16.113 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.492 -15.481 0.724 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.232 -14.094 -0.640 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.279 -13.097 -0.819 1.00 0.00 C ATOM 1068 C GLU A 69 -7.681 -12.540 0.546 1.00 0.00 C ATOM 1069 O GLU A 69 -7.564 -13.242 1.550 1.00 0.00 O ATOM 1070 CB GLU A 69 -8.472 -13.653 -1.612 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.313 -14.713 -0.875 1.00 0.00 C ATOM 1072 CD GLU A 69 -10.747 -14.243 -0.648 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.492 -14.040 -1.628 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.139 -14.003 0.512 1.00 0.00 O ATOM 0 H GLU A 69 -6.548 -14.916 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.892 -12.275 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.123 -12.823 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.100 -14.088 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.321 -15.637 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.849 -14.942 0.085 1.00 0.00 H new ATOM 1081 N PHE A 70 -8.058 -11.260 0.603 1.00 0.00 N ATOM 1082 CA PHE A 70 -8.236 -10.553 1.863 1.00 0.00 C ATOM 1083 C PHE A 70 -8.941 -9.214 1.636 1.00 0.00 C ATOM 1084 O PHE A 70 -8.981 -8.711 0.511 1.00 0.00 O ATOM 1085 CB PHE A 70 -6.873 -10.342 2.550 1.00 0.00 C ATOM 1086 CG PHE A 70 -5.889 -9.496 1.760 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -5.282 -10.000 0.593 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -5.606 -8.182 2.174 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -4.503 -9.162 -0.219 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -4.765 -7.370 1.400 1.00 0.00 C ATOM 1091 CZ PHE A 70 -4.254 -7.842 0.181 1.00 0.00 C ATOM 0 H PHE A 70 -8.246 -10.691 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.864 -11.158 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.039 -9.872 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.423 -11.316 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.417 -11.037 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.036 -7.799 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.097 -9.533 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.510 -6.378 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.669 -7.188 -0.449 1.00 0.00 H new ATOM 1101 N ASP A 71 -9.492 -8.650 2.717 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.982 -7.280 2.773 1.00 0.00 C ATOM 1103 C ASP A 71 -8.764 -6.364 2.885 1.00 0.00 C ATOM 1104 O ASP A 71 -8.049 -6.408 3.886 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.917 -7.123 3.981 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.519 -5.727 4.110 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.827 -4.735 3.794 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.686 -5.659 4.558 1.00 0.00 O ATOM 0 H ASP A 71 -9.610 -9.152 3.597 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.552 -7.020 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.724 -7.852 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.364 -7.357 4.891 1.00 0.00 H new ATOM 1113 N GLU A 72 -8.514 -5.575 1.842 1.00 0.00 N ATOM 1114 CA GLU A 72 -7.514 -4.529 1.824 1.00 0.00 C ATOM 1115 C GLU A 72 -8.264 -3.212 2.039 1.00 0.00 C ATOM 1116 O GLU A 72 -9.037 -2.784 1.182 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.732 -4.611 0.501 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.390 -3.862 0.532 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.328 -4.532 -0.335 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -4.675 -4.986 -1.453 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.173 -4.604 0.145 1.00 0.00 O ATOM 0 H GLU A 72 -9.023 -5.655 0.962 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.765 -4.623 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.549 -5.658 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.348 -4.204 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.541 -2.838 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.033 -3.805 1.560 1.00 0.00 H new ATOM 1128 N THR A 73 -8.072 -2.595 3.206 1.00 0.00 N ATOM 1129 CA THR A 73 -8.673 -1.320 3.558 1.00 0.00 C ATOM 1130 C THR A 73 -7.563 -0.284 3.686 1.00 0.00 C ATOM 1131 O THR A 73 -6.660 -0.464 4.501 1.00 0.00 O ATOM 1132 CB THR A 73 -9.482 -1.469 4.853 1.00 0.00 C ATOM 1133 OG1 THR A 73 -10.624 -2.267 4.621 1.00 0.00 O ATOM 1134 CG2 THR A 73 -10.003 -0.121 5.361 1.00 0.00 C ATOM 0 H THR A 73 -7.482 -2.980 3.943 1.00 0.00 H new ATOM 0 HA THR A 73 -9.366 -0.988 2.785 1.00 0.00 H new ATOM 0 HB THR A 73 -8.809 -1.915 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.346 -3.149 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.570 -0.273 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.162 0.543 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.649 0.328 4.606 1.00 0.00 H new ATOM 1142 N THR A 74 -7.631 0.797 2.905 1.00 0.00 N ATOM 1143 CA THR A 74 -6.676 1.893 2.976 1.00 0.00 C ATOM 1144 C THR A 74 -7.396 3.211 2.689 1.00 0.00 C ATOM 1145 O THR A 74 -8.331 3.253 1.887 1.00 0.00 O ATOM 1146 CB THR A 74 -5.492 1.628 2.030 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.651 2.760 1.982 1.00 0.00 O ATOM 1148 CG2 THR A 74 -5.941 1.261 0.612 1.00 0.00 C ATOM 0 H THR A 74 -8.358 0.932 2.202 1.00 0.00 H new ATOM 0 HA THR A 74 -6.255 1.968 3.979 1.00 0.00 H new ATOM 0 HB THR A 74 -4.949 0.772 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.730 3.190 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.065 1.085 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.551 0.358 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.527 2.079 0.193 1.00 0.00 H new ATOM 1156 N ALA A 75 -6.975 4.300 3.341 1.00 0.00 N ATOM 1157 CA ALA A 75 -7.634 5.602 3.276 1.00 0.00 C ATOM 1158 C ALA A 75 -7.288 6.356 1.985 1.00 0.00 C ATOM 1159 O ALA A 75 -7.032 7.559 2.010 1.00 0.00 O ATOM 1160 CB ALA A 75 -7.274 6.416 4.525 1.00 0.00 C ATOM 0 H ALA A 75 -6.149 4.297 3.940 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.713 5.447 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.764 7.388 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.607 5.883 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.194 6.556 4.569 1.00 0.00 H new ATOM 1166 N ASP A 76 -7.312 5.642 0.863 1.00 0.00 N ATOM 1167 CA ASP A 76 -7.141 6.149 -0.483 1.00 0.00 C ATOM 1168 C ASP A 76 -7.888 5.196 -1.417 1.00 0.00 C ATOM 1169 O ASP A 76 -8.894 5.580 -2.004 1.00 0.00 O ATOM 1170 CB ASP A 76 -5.653 6.350 -0.835 1.00 0.00 C ATOM 1171 CG ASP A 76 -4.839 5.070 -0.981 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -5.117 4.112 -0.235 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -3.987 5.055 -1.903 1.00 0.00 O ATOM 0 H ASP A 76 -7.461 4.633 0.877 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.565 7.147 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.590 6.909 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.194 6.967 -0.062 1.00 0.00 H new ATOM 1178 N ASP A 77 -7.458 3.934 -1.501 1.00 0.00 N ATOM 1179 CA ASP A 77 -8.090 2.928 -2.342 1.00 0.00 C ATOM 1180 C ASP A 77 -9.351 2.353 -1.684 1.00 0.00 C ATOM 1181 O ASP A 77 -10.042 1.548 -2.300 1.00 0.00 O ATOM 1182 CB ASP A 77 -7.081 1.847 -2.758 1.00 0.00 C ATOM 1183 CG ASP A 77 -7.359 1.283 -4.149 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -8.531 1.307 -4.591 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -6.378 0.826 -4.778 1.00 0.00 O ATOM 0 H ASP A 77 -6.654 3.584 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.426 3.411 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.075 2.267 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.104 1.036 -2.031 1.00 0.00 H new ATOM 1190 N ARG A 78 -9.732 2.827 -0.493 1.00 0.00 N ATOM 1191 CA ARG A 78 -11.013 2.544 0.153 1.00 0.00 C ATOM 1192 C ARG A 78 -10.950 1.141 0.777 1.00 0.00 C ATOM 1193 O ARG A 78 -9.858 0.651 1.063 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.214 2.752 -0.806 1.00 0.00 C ATOM 1195 CG ARG A 78 -12.197 4.088 -1.585 1.00 0.00 C ATOM 1196 CD ARG A 78 -12.636 3.932 -3.054 1.00 0.00 C ATOM 1197 NE ARG A 78 -11.711 3.042 -3.770 1.00 0.00 N ATOM 1198 CZ ARG A 78 -11.913 2.391 -4.919 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -12.948 2.704 -5.703 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -11.063 1.428 -5.276 1.00 0.00 N ATOM 0 H ARG A 78 -9.135 3.438 0.064 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.188 3.261 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.236 1.930 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.136 2.696 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.855 4.801 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.192 4.508 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.647 3.528 -3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.661 4.908 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.799 2.904 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.592 3.445 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.095 2.202 -6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.272 1.197 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.204 0.922 -6.150 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.104 0.499 0.997 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.186 -0.921 1.312 1.00 0.00 C ATOM 1216 C LYS A 79 -12.367 -1.671 -0.002 1.00 0.00 C ATOM 1217 O LYS A 79 -13.319 -1.393 -0.730 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.352 -1.202 2.275 1.00 0.00 C ATOM 1219 CG LYS A 79 -13.545 -2.720 2.446 1.00 0.00 C ATOM 1220 CD LYS A 79 -14.557 -3.093 3.533 1.00 0.00 C ATOM 1221 CE LYS A 79 -14.033 -2.743 4.934 1.00 0.00 C ATOM 1222 NZ LYS A 79 -14.128 -3.888 5.858 1.00 0.00 N ATOM 0 H LYS A 79 -13.013 0.961 0.959 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.277 -1.253 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.153 -0.742 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.268 -0.752 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.871 -3.145 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.584 -3.175 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.496 -2.569 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.773 -4.160 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.995 -2.419 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.602 -1.904 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.977 -3.560 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.071 -4.320 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.403 -4.593 5.613 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.485 -2.629 -0.288 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.573 -3.486 -1.458 1.00 0.00 C ATOM 1238 C VAL A 80 -11.229 -4.905 -1.008 1.00 0.00 C ATOM 1239 O VAL A 80 -10.309 -5.080 -0.216 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.627 -2.958 -2.558 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.921 -1.488 -2.875 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -9.143 -3.025 -2.189 1.00 0.00 C ATOM 0 H VAL A 80 -10.677 -2.830 0.301 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.574 -3.489 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.815 -3.612 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.241 -1.140 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.950 -1.389 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.782 -0.887 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.545 -2.636 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.963 -2.426 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.863 -4.060 -1.994 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.937 -5.930 -1.489 1.00 0.00 N ATOM 1253 CA LYS A 81 -11.399 -7.278 -1.391 1.00 0.00 C ATOM 1254 C LYS A 81 -10.381 -7.399 -2.517 1.00 0.00 C ATOM 1255 O LYS A 81 -10.701 -7.074 -3.661 1.00 0.00 O ATOM 1256 CB LYS A 81 -12.485 -8.364 -1.489 1.00 0.00 C ATOM 1257 CG LYS A 81 -11.809 -9.740 -1.636 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.750 -10.940 -1.488 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.045 -11.282 -0.019 1.00 0.00 C ATOM 1260 NZ LYS A 81 -13.382 -12.711 0.145 1.00 0.00 N ATOM 0 H LYS A 81 -12.852 -5.854 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.942 -7.437 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.115 -8.347 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.134 -8.171 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.330 -9.791 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.019 -9.822 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.687 -10.728 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.307 -11.807 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.177 -11.039 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.871 -10.668 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.270 -12.799 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.496 -13.150 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.618 -13.191 0.662 1.00 0.00 H new ATOM 1274 N SER A 82 -9.177 -7.888 -2.222 1.00 0.00 N ATOM 1275 CA SER A 82 -8.216 -8.183 -3.265 1.00 0.00 C ATOM 1276 C SER A 82 -7.647 -9.579 -3.090 1.00 0.00 C ATOM 1277 O SER A 82 -7.766 -10.173 -2.018 1.00 0.00 O ATOM 1278 CB SER A 82 -7.149 -7.085 -3.342 1.00 0.00 C ATOM 1279 OG SER A 82 -6.071 -7.307 -2.455 1.00 0.00 O ATOM 0 H SER A 82 -8.853 -8.084 -1.275 1.00 0.00 H new ATOM 0 HA SER A 82 -8.718 -8.183 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.768 -7.025 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.608 -6.122 -3.116 1.00 0.00 H new ATOM 0 HG SER A 82 -6.413 -7.404 -1.542 1.00 0.00 H new ATOM 1285 N ILE A 83 -7.059 -10.088 -4.171 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.293 -11.314 -4.233 1.00 0.00 C ATOM 1287 C ILE A 83 -4.979 -10.968 -4.918 1.00 0.00 C ATOM 1288 O ILE A 83 -4.969 -10.133 -5.828 1.00 0.00 O ATOM 1289 CB ILE A 83 -7.094 -12.418 -4.953 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -6.292 -13.731 -4.984 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -7.516 -12.005 -6.371 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -7.120 -14.931 -5.450 1.00 0.00 C ATOM 0 H ILE A 83 -7.113 -9.622 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.083 -11.720 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.010 -12.575 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.434 -13.610 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.899 -13.933 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.077 -12.817 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.142 -11.114 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.629 -11.790 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.497 -15.825 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.963 -15.076 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.491 -14.748 -6.458 1.00 0.00 H new ATOM 1304 N VAL A 84 -3.875 -11.570 -4.469 1.00 0.00 N ATOM 1305 CA VAL A 84 -2.593 -11.457 -5.149 1.00 0.00 C ATOM 1306 C VAL A 84 -2.056 -12.849 -5.437 1.00 0.00 C ATOM 1307 O VAL A 84 -2.222 -13.751 -4.616 1.00 0.00 O ATOM 1308 CB VAL A 84 -1.582 -10.634 -4.332 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -0.281 -10.441 -5.121 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -2.116 -9.236 -4.038 1.00 0.00 C ATOM 0 H VAL A 84 -3.850 -12.146 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.744 -10.924 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.410 -11.184 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.422 -9.857 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.156 -11.414 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.494 -9.915 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.379 -8.679 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.309 -8.716 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.042 -9.313 -3.468 1.00 0.00 H new ATOM 1320 N THR A 85 -1.375 -13.009 -6.573 1.00 0.00 N ATOM 1321 CA THR A 85 -0.522 -14.156 -6.842 1.00 0.00 C ATOM 1322 C THR A 85 0.594 -13.714 -7.789 1.00 0.00 C ATOM 1323 O THR A 85 0.755 -12.518 -8.034 1.00 0.00 O ATOM 1324 CB THR A 85 -1.348 -15.349 -7.354 1.00 0.00 C ATOM 1325 OG1 THR A 85 -0.517 -16.489 -7.459 1.00 0.00 O ATOM 1326 CG2 THR A 85 -2.007 -15.090 -8.713 1.00 0.00 C ATOM 0 H THR A 85 -1.404 -12.335 -7.338 1.00 0.00 H new ATOM 0 HA THR A 85 -0.053 -14.517 -5.927 1.00 0.00 H new ATOM 0 HB THR A 85 -2.147 -15.508 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.044 -17.249 -7.783 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.574 -15.970 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.679 -14.235 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.238 -14.880 -9.456 1.00 0.00 H new ATOM 1334 N LEU A 86 1.365 -14.672 -8.303 1.00 0.00 N ATOM 1335 CA LEU A 86 2.469 -14.455 -9.223 1.00 0.00 C ATOM 1336 C LEU A 86 2.352 -15.500 -10.329 1.00 0.00 C ATOM 1337 O LEU A 86 2.270 -16.687 -10.015 1.00 0.00 O ATOM 1338 CB LEU A 86 3.791 -14.541 -8.438 1.00 0.00 C ATOM 1339 CG LEU A 86 4.994 -13.837 -9.090 1.00 0.00 C ATOM 1340 CD1 LEU A 86 6.098 -13.673 -8.037 1.00 0.00 C ATOM 1341 CD2 LEU A 86 5.572 -14.582 -10.299 1.00 0.00 C ATOM 0 H LEU A 86 1.228 -15.657 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 86 2.444 -13.469 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.634 -14.113 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.041 -15.592 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 86 4.633 -12.877 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.958 -13.175 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.723 -13.073 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.398 -14.654 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.416 -14.022 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.908 -15.572 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.804 -14.682 -11.066 1.00 0.00 H new ATOM 1353 N ASP A 87 2.307 -15.072 -11.597 1.00 0.00 N ATOM 1354 CA ASP A 87 2.213 -15.961 -12.752 1.00 0.00 C ATOM 1355 C ASP A 87 3.297 -15.595 -13.766 1.00 0.00 C ATOM 1356 O ASP A 87 3.665 -14.426 -13.881 1.00 0.00 O ATOM 1357 CB ASP A 87 0.809 -15.911 -13.376 1.00 0.00 C ATOM 1358 CG ASP A 87 0.643 -14.756 -14.356 1.00 0.00 C ATOM 1359 OD1 ASP A 87 0.998 -14.967 -15.536 1.00 0.00 O ATOM 1360 OD2 ASP A 87 0.162 -13.694 -13.909 1.00 0.00 O ATOM 0 H ASP A 87 2.336 -14.084 -11.848 1.00 0.00 H new ATOM 0 HA ASP A 87 2.376 -16.989 -12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.611 -16.851 -13.891 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.066 -15.819 -12.583 1.00 0.00 H new ATOM 1365 N GLY A 88 3.842 -16.602 -14.457 1.00 0.00 N ATOM 1366 CA GLY A 88 4.917 -16.453 -15.428 1.00 0.00 C ATOM 1367 C GLY A 88 6.188 -15.901 -14.779 1.00 0.00 C ATOM 1368 O GLY A 88 7.116 -16.647 -14.477 1.00 0.00 O ATOM 0 H GLY A 88 3.534 -17.568 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.131 -17.419 -15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.596 -15.785 -16.228 1.00 0.00 H new ATOM 1372 N GLY A 89 6.210 -14.588 -14.556 1.00 0.00 N ATOM 1373 CA GLY A 89 7.228 -13.888 -13.786 1.00 0.00 C ATOM 1374 C GLY A 89 6.731 -12.505 -13.351 1.00 0.00 C ATOM 1375 O GLY A 89 7.533 -11.595 -13.161 1.00 0.00 O ATOM 0 H GLY A 89 5.492 -13.963 -14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.494 -14.476 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.133 -13.782 -14.384 1.00 0.00 H new ATOM 1379 N LYS A 90 5.410 -12.343 -13.207 1.00 0.00 N ATOM 1380 CA LYS A 90 4.743 -11.084 -12.924 1.00 0.00 C ATOM 1381 C LYS A 90 3.864 -11.301 -11.695 1.00 0.00 C ATOM 1382 O LYS A 90 3.194 -12.328 -11.600 1.00 0.00 O ATOM 1383 CB LYS A 90 3.879 -10.672 -14.125 1.00 0.00 C ATOM 1384 CG LYS A 90 4.671 -10.612 -15.442 1.00 0.00 C ATOM 1385 CD LYS A 90 3.769 -10.281 -16.642 1.00 0.00 C ATOM 1386 CE LYS A 90 3.323 -8.811 -16.712 1.00 0.00 C ATOM 1387 NZ LYS A 90 4.415 -7.914 -17.143 1.00 0.00 N ATOM 0 H LYS A 90 4.758 -13.123 -13.289 1.00 0.00 H new ATOM 0 HA LYS A 90 5.469 -10.292 -12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.057 -11.379 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.436 -9.696 -13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.455 -9.859 -15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.164 -11.569 -15.612 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.300 -10.532 -17.561 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.884 -10.916 -16.602 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.486 -8.720 -17.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.962 -8.496 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.172 -6.931 -16.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.295 -8.180 -16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.548 -7.998 -18.171 1.00 0.00 H new ATOM 1401 N LEU A 91 3.873 -10.353 -10.757 1.00 0.00 N ATOM 1402 CA LEU A 91 3.050 -10.393 -9.558 1.00 0.00 C ATOM 1403 C LEU A 91 1.752 -9.652 -9.861 1.00 0.00 C ATOM 1404 O LEU A 91 1.784 -8.468 -10.187 1.00 0.00 O ATOM 1405 CB LEU A 91 3.850 -9.811 -8.387 1.00 0.00 C ATOM 1406 CG LEU A 91 3.109 -9.868 -7.043 1.00 0.00 C ATOM 1407 CD1 LEU A 91 4.110 -9.747 -5.886 1.00 0.00 C ATOM 1408 CD2 LEU A 91 2.067 -8.746 -6.945 1.00 0.00 C ATOM 0 H LEU A 91 4.464 -9.524 -10.815 1.00 0.00 H new ATOM 0 HA LEU A 91 2.781 -11.408 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.791 -10.354 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.101 -8.774 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 91 2.594 -10.826 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.576 -9.788 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.825 -10.568 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.641 -8.798 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.555 -8.807 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.564 -7.780 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.340 -8.853 -7.750 1.00 0.00 H new ATOM 1420 N VAL A 92 0.613 -10.343 -9.783 1.00 0.00 N ATOM 1421 CA VAL A 92 -0.680 -9.818 -10.196 1.00 0.00 C ATOM 1422 C VAL A 92 -1.558 -9.601 -8.961 1.00 0.00 C ATOM 1423 O VAL A 92 -1.793 -10.544 -8.206 1.00 0.00 O ATOM 1424 CB VAL A 92 -1.309 -10.738 -11.261 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -0.319 -10.958 -12.417 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -1.750 -12.109 -10.729 1.00 0.00 C ATOM 0 H VAL A 92 0.568 -11.297 -9.425 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.569 -8.844 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.208 -10.221 -11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.772 -11.609 -13.165 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.073 -9.999 -12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.590 -11.422 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.181 -12.693 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.887 -12.636 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.495 -11.973 -9.945 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.010 -8.358 -8.744 1.00 0.00 N ATOM 1437 CA HIS A 93 -2.978 -7.964 -7.723 1.00 0.00 C ATOM 1438 C HIS A 93 -4.291 -7.699 -8.452 1.00 0.00 C ATOM 1439 O HIS A 93 -4.318 -6.895 -9.380 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.456 -6.707 -6.999 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.249 -6.108 -5.843 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -3.081 -4.808 -5.391 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -4.031 -6.757 -4.919 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.712 -4.683 -4.210 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.287 -5.852 -3.898 1.00 0.00 N ATOM 0 H HIS A 93 -1.693 -7.567 -9.304 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.128 -8.734 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.460 -6.940 -6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.338 -5.926 -7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.380 -7.777 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.749 -3.786 -3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.823 -6.045 -3.052 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.357 -8.392 -8.062 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.686 -8.270 -8.642 1.00 0.00 C ATOM 1456 C VAL A 94 -7.607 -7.866 -7.490 1.00 0.00 C ATOM 1457 O VAL A 94 -7.477 -8.405 -6.391 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.021 -9.594 -9.354 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -8.516 -9.880 -9.469 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.423 -9.561 -10.767 1.00 0.00 C ATOM 0 H VAL A 94 -5.315 -9.077 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.791 -7.509 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.594 -10.389 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.666 -10.830 -9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.954 -9.933 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.997 -9.082 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.654 -10.494 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.848 -8.725 -11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.342 -9.440 -10.702 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.406 -6.813 -7.688 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.855 -5.951 -6.604 1.00 0.00 C ATOM 1472 C GLN A 95 -10.250 -5.398 -6.898 1.00 0.00 C ATOM 1473 O GLN A 95 -10.384 -4.576 -7.803 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.809 -4.835 -6.499 1.00 0.00 C ATOM 1475 CG GLN A 95 -8.119 -3.806 -5.415 1.00 0.00 C ATOM 1476 CD GLN A 95 -7.036 -2.735 -5.369 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -5.862 -3.042 -5.175 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -7.424 -1.481 -5.555 1.00 0.00 N ATOM 0 H GLN A 95 -8.756 -6.539 -8.606 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.940 -6.491 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.834 -5.280 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.735 -4.326 -7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.087 -3.344 -5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.191 -4.300 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.409 -1.270 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.737 -0.727 -5.540 1.00 0.00 H new ATOM 1487 N LYS A 96 -11.263 -5.805 -6.125 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.666 -5.466 -6.345 1.00 0.00 C ATOM 1489 C LYS A 96 -13.340 -4.947 -5.079 1.00 0.00 C ATOM 1490 O LYS A 96 -12.852 -5.139 -3.969 1.00 0.00 O ATOM 1491 CB LYS A 96 -13.439 -6.684 -6.868 1.00 0.00 C ATOM 1492 CG LYS A 96 -13.246 -7.945 -6.013 1.00 0.00 C ATOM 1493 CD LYS A 96 -14.145 -9.072 -6.549 1.00 0.00 C ATOM 1494 CE LYS A 96 -13.500 -10.458 -6.396 1.00 0.00 C ATOM 1495 NZ LYS A 96 -12.396 -10.649 -7.360 1.00 0.00 N ATOM 0 H LYS A 96 -11.121 -6.396 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.684 -4.669 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.501 -6.441 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.122 -6.895 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.202 -8.256 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.492 -7.733 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.097 -9.057 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.363 -8.890 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.122 -10.575 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.254 -11.230 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.026 -11.618 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.748 -10.494 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.635 -9.970 -7.156 1.00 0.00 H new ATOM 1509 N TRP A 97 -14.496 -4.310 -5.263 1.00 0.00 N ATOM 1510 CA TRP A 97 -15.341 -3.840 -4.173 1.00 0.00 C ATOM 1511 C TRP A 97 -16.790 -4.171 -4.508 1.00 0.00 C ATOM 1512 O TRP A 97 -17.402 -5.017 -3.862 1.00 0.00 O ATOM 1513 CB TRP A 97 -15.097 -2.347 -3.909 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.879 -1.471 -5.108 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.804 -0.675 -5.682 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.668 -1.299 -5.902 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -15.254 -0.017 -6.756 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.940 -0.371 -6.950 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -12.371 -1.843 -5.859 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.980 -0.006 -7.903 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -11.397 -1.480 -6.800 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.707 -0.589 -7.840 1.00 0.00 C ATOM 0 H TRP A 97 -14.874 -4.105 -6.188 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.092 -4.347 -3.240 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.951 -1.957 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -14.226 -2.255 -3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.825 -0.570 -5.347 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.759 0.652 -7.338 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.121 -2.554 -5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -13.217 0.713 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -10.400 -1.889 -6.724 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.966 -0.353 -8.590 1.00 0.00 H new ATOM 1533 N ASN A 98 -17.323 -3.542 -5.555 1.00 0.00 N ATOM 1534 CA ASN A 98 -18.655 -3.812 -6.064 1.00 0.00 C ATOM 1535 C ASN A 98 -18.740 -3.253 -7.475 1.00 0.00 C ATOM 1536 O ASN A 98 -18.126 -2.229 -7.773 1.00 0.00 O ATOM 1537 CB ASN A 98 -19.741 -3.207 -5.162 1.00 0.00 C ATOM 1538 CG ASN A 98 -19.684 -1.683 -5.100 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.986 -1.118 -4.266 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -20.422 -0.996 -5.968 1.00 0.00 N ATOM 0 H ASN A 98 -16.828 -2.819 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.831 -4.888 -6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -20.721 -3.514 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -19.635 -3.610 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -20.415 0.024 -5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.995 -1.489 -6.653 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.459 -3.953 -8.352 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.735 -3.514 -9.713 1.00 0.00 C ATOM 1549 C GLY A 99 -18.521 -3.553 -10.643 1.00 0.00 C ATOM 1550 O GLY A 99 -18.676 -3.319 -11.838 1.00 0.00 O ATOM 0 H GLY A 99 -19.872 -4.858 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.521 -4.142 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.123 -2.496 -9.683 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.317 -3.823 -10.125 1.00 0.00 N ATOM 1555 CA GLN A 100 -16.090 -3.717 -10.888 1.00 0.00 C ATOM 1556 C GLN A 100 -14.936 -4.371 -10.134 1.00 0.00 C ATOM 1557 O GLN A 100 -15.022 -4.599 -8.923 1.00 0.00 O ATOM 1558 CB GLN A 100 -15.781 -2.237 -11.148 1.00 0.00 C ATOM 1559 CG GLN A 100 -15.420 -1.506 -9.847 1.00 0.00 C ATOM 1560 CD GLN A 100 -16.018 -0.107 -9.803 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -15.442 0.833 -10.342 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -17.159 0.040 -9.136 1.00 0.00 N ATOM 0 H GLN A 100 -17.177 -4.122 -9.160 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.214 -4.234 -11.839 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.956 -2.154 -11.855 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.645 -1.758 -11.609 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.779 -2.082 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.336 -1.441 -9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.604 -0.769 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.589 0.962 -9.058 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.850 -4.603 -10.872 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.591 -5.137 -10.400 1.00 0.00 C ATOM 1573 C GLU A 101 -11.483 -4.403 -11.158 1.00 0.00 C ATOM 1574 O GLU A 101 -11.518 -4.327 -12.385 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.572 -6.654 -10.645 1.00 0.00 C ATOM 1576 CG GLU A 101 -11.299 -7.323 -10.100 1.00 0.00 C ATOM 1577 CD GLU A 101 -11.590 -8.535 -9.228 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -12.443 -9.372 -9.598 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -10.995 -8.632 -8.132 1.00 0.00 O ATOM 0 H GLU A 101 -13.834 -4.409 -11.873 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.445 -4.986 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.446 -7.106 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.650 -6.847 -11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.669 -7.627 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.732 -6.594 -9.521 1.00 0.00 H new ATOM 1586 N THR A 102 -10.542 -3.806 -10.428 1.00 0.00 N ATOM 1587 CA THR A 102 -9.264 -3.350 -10.956 1.00 0.00 C ATOM 1588 C THR A 102 -8.265 -4.502 -11.005 1.00 0.00 C ATOM 1589 O THR A 102 -8.325 -5.433 -10.200 1.00 0.00 O ATOM 1590 CB THR A 102 -8.689 -2.221 -10.087 1.00 0.00 C ATOM 1591 OG1 THR A 102 -9.116 -2.319 -8.749 1.00 0.00 O ATOM 1592 CG2 THR A 102 -9.137 -0.865 -10.614 1.00 0.00 C ATOM 0 H THR A 102 -10.653 -3.623 -9.431 1.00 0.00 H new ATOM 0 HA THR A 102 -9.434 -2.975 -11.965 1.00 0.00 H new ATOM 0 HB THR A 102 -7.604 -2.317 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.949 -1.816 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.721 -0.076 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.786 -0.738 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.225 -0.808 -10.594 1.00 0.00 H new ATOM 1600 N SER A 103 -7.309 -4.385 -11.926 1.00 0.00 N ATOM 1601 CA SER A 103 -6.165 -5.268 -12.052 1.00 0.00 C ATOM 1602 C SER A 103 -4.905 -4.407 -11.962 1.00 0.00 C ATOM 1603 O SER A 103 -4.876 -3.315 -12.529 1.00 0.00 O ATOM 1604 CB SER A 103 -6.267 -6.014 -13.385 1.00 0.00 C ATOM 1605 OG SER A 103 -6.422 -5.115 -14.469 1.00 0.00 O ATOM 0 H SER A 103 -7.316 -3.644 -12.627 1.00 0.00 H new ATOM 0 HA SER A 103 -6.131 -6.016 -11.260 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.372 -6.617 -13.536 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.113 -6.701 -13.356 1.00 0.00 H new ATOM 0 HG SER A 103 -6.733 -4.248 -14.133 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.890 -4.856 -11.221 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.621 -4.163 -11.070 1.00 0.00 C ATOM 1613 C LEU A 104 -1.510 -5.208 -11.165 1.00 0.00 C ATOM 1614 O LEU A 104 -1.386 -6.043 -10.268 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.541 -3.367 -9.750 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.813 -2.601 -9.332 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -4.752 -3.472 -8.482 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -3.421 -1.372 -8.500 1.00 0.00 C ATOM 0 H LEU A 104 -3.934 -5.732 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.513 -3.422 -11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.280 -4.059 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.723 -2.651 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.333 -2.310 -10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.635 -2.895 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.054 -4.348 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.233 -3.791 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.320 -0.831 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.881 -1.693 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.783 -0.718 -9.095 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.731 -5.190 -12.251 1.00 0.00 N ATOM 1631 CA VAL A 105 0.358 -6.136 -12.466 1.00 0.00 C ATOM 1632 C VAL A 105 1.680 -5.429 -12.173 1.00 0.00 C ATOM 1633 O VAL A 105 1.888 -4.314 -12.650 1.00 0.00 O ATOM 1634 CB VAL A 105 0.290 -6.766 -13.871 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -1.046 -7.500 -14.051 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.451 -5.774 -15.030 1.00 0.00 C ATOM 0 H VAL A 105 -0.842 -4.514 -13.007 1.00 0.00 H new ATOM 0 HA VAL A 105 0.269 -6.978 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 105 1.140 -7.446 -13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.087 -7.943 -15.046 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.133 -8.286 -13.301 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.868 -6.794 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.389 -6.309 -15.978 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.342 -5.027 -14.982 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.420 -5.280 -14.954 1.00 0.00 H new ATOM 1646 N ARG A 106 2.529 -6.050 -11.349 1.00 0.00 N ATOM 1647 CA ARG A 106 3.798 -5.540 -10.849 1.00 0.00 C ATOM 1648 C ARG A 106 4.893 -6.527 -11.259 1.00 0.00 C ATOM 1649 O ARG A 106 4.797 -7.711 -10.940 1.00 0.00 O ATOM 1650 CB ARG A 106 3.743 -5.443 -9.313 1.00 0.00 C ATOM 1651 CG ARG A 106 2.682 -4.458 -8.801 1.00 0.00 C ATOM 1652 CD ARG A 106 2.482 -4.602 -7.285 1.00 0.00 C ATOM 1653 NE ARG A 106 1.532 -3.601 -6.769 1.00 0.00 N ATOM 1654 CZ ARG A 106 0.946 -3.639 -5.559 1.00 0.00 C ATOM 1655 NH1 ARG A 106 1.168 -4.670 -4.737 1.00 0.00 N ATOM 1656 NH2 ARG A 106 0.133 -2.646 -5.177 1.00 0.00 N ATOM 0 H ARG A 106 2.330 -6.985 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 106 4.001 -4.551 -11.259 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.539 -6.431 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.721 -5.138 -8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.985 -3.438 -9.036 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.737 -4.636 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.116 -5.603 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.441 -4.491 -6.778 1.00 0.00 H new ATOM 0 HE ARG A 106 1.300 -2.816 -7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.783 -5.430 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.722 -4.696 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.042 -1.861 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.311 -2.675 -4.259 1.00 0.00 H new ATOM 1670 N GLU A 107 5.930 -6.060 -11.953 1.00 0.00 N ATOM 1671 CA GLU A 107 7.062 -6.879 -12.364 1.00 0.00 C ATOM 1672 C GLU A 107 8.312 -6.018 -12.271 1.00 0.00 C ATOM 1673 O GLU A 107 8.234 -4.836 -12.591 1.00 0.00 O ATOM 1674 CB GLU A 107 6.830 -7.326 -13.811 1.00 0.00 C ATOM 1675 CG GLU A 107 8.000 -8.122 -14.411 1.00 0.00 C ATOM 1676 CD GLU A 107 7.733 -8.510 -15.858 1.00 0.00 C ATOM 1677 OE1 GLU A 107 6.855 -7.856 -16.464 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.362 -9.474 -16.332 1.00 0.00 O ATOM 0 H GLU A 107 6.005 -5.087 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 107 7.174 -7.760 -11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.928 -7.937 -13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.647 -6.446 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.911 -7.527 -14.356 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.170 -9.021 -13.819 1.00 0.00 H new ATOM 1685 N MET A 108 9.457 -6.591 -11.882 1.00 0.00 N ATOM 1686 CA MET A 108 10.743 -5.970 -12.143 1.00 0.00 C ATOM 1687 C MET A 108 11.527 -6.867 -13.085 1.00 0.00 C ATOM 1688 O MET A 108 11.807 -8.018 -12.760 1.00 0.00 O ATOM 1689 CB MET A 108 11.539 -5.704 -10.860 1.00 0.00 C ATOM 1690 CG MET A 108 12.752 -4.795 -11.123 1.00 0.00 C ATOM 1691 SD MET A 108 14.337 -5.361 -10.445 1.00 0.00 S ATOM 1692 CE MET A 108 14.716 -6.762 -11.525 1.00 0.00 C ATOM 0 H MET A 108 9.510 -7.481 -11.387 1.00 0.00 H new ATOM 0 HA MET A 108 10.570 -4.996 -12.600 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.890 -5.239 -10.118 1.00 0.00 H new ATOM 0 HB3 MET A 108 11.878 -6.651 -10.439 1.00 0.00 H new ATOM 0 HG2 MET A 108 12.863 -4.675 -12.201 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.536 -3.808 -10.713 1.00 0.00 H new ATOM 0 HE1 MET A 108 15.681 -7.185 -11.247 1.00 0.00 H new ATOM 0 HE2 MET A 108 13.942 -7.522 -11.419 1.00 0.00 H new ATOM 0 HE3 MET A 108 14.753 -6.424 -12.560 1.00 0.00 H new ATOM 1702 N VAL A 109 11.933 -6.295 -14.211 1.00 0.00 N ATOM 1703 CA VAL A 109 13.019 -6.777 -15.039 1.00 0.00 C ATOM 1704 C VAL A 109 13.885 -5.548 -15.302 1.00 0.00 C ATOM 1705 O VAL A 109 13.585 -4.475 -14.765 1.00 0.00 O ATOM 1706 CB VAL A 109 12.487 -7.474 -16.304 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.832 -8.811 -15.936 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.478 -6.615 -17.075 1.00 0.00 C ATOM 0 H VAL A 109 11.496 -5.452 -14.582 1.00 0.00 H new ATOM 0 HA VAL A 109 13.617 -7.553 -14.561 1.00 0.00 H new ATOM 0 HB VAL A 109 13.347 -7.638 -16.954 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.460 -9.294 -16.839 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.567 -9.456 -15.456 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.003 -8.634 -15.251 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.137 -7.157 -17.957 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.625 -6.392 -16.434 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.953 -5.684 -17.383 1.00 0.00 H new ATOM 1718 N ASP A 110 14.975 -5.707 -16.060 1.00 0.00 N ATOM 1719 CA ASP A 110 15.975 -4.658 -16.205 1.00 0.00 C ATOM 1720 C ASP A 110 16.388 -4.214 -14.789 1.00 0.00 C ATOM 1721 O ASP A 110 16.891 -5.035 -14.021 1.00 0.00 O ATOM 1722 CB ASP A 110 15.409 -3.566 -17.133 1.00 0.00 C ATOM 1723 CG ASP A 110 16.321 -2.359 -17.260 1.00 0.00 C ATOM 1724 OD1 ASP A 110 17.294 -2.446 -18.034 1.00 0.00 O ATOM 1725 OD2 ASP A 110 16.025 -1.385 -16.532 1.00 0.00 O ATOM 0 H ASP A 110 15.183 -6.558 -16.582 1.00 0.00 H new ATOM 0 HA ASP A 110 16.895 -4.982 -16.692 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.239 -3.991 -18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.439 -3.243 -16.754 1.00 0.00 H new ATOM 1730 N GLY A 111 16.086 -2.980 -14.392 1.00 0.00 N ATOM 1731 CA GLY A 111 16.225 -2.487 -13.033 1.00 0.00 C ATOM 1732 C GLY A 111 15.039 -1.597 -12.675 1.00 0.00 C ATOM 1733 O GLY A 111 15.173 -0.701 -11.841 1.00 0.00 O ATOM 0 H GLY A 111 15.725 -2.274 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.284 -3.325 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.154 -1.925 -12.935 1.00 0.00 H new ATOM 1737 N LYS A 112 13.876 -1.845 -13.291 1.00 0.00 N ATOM 1738 CA LYS A 112 12.691 -1.015 -13.127 1.00 0.00 C ATOM 1739 C LYS A 112 11.518 -1.899 -12.739 1.00 0.00 C ATOM 1740 O LYS A 112 11.256 -2.897 -13.405 1.00 0.00 O ATOM 1741 CB LYS A 112 12.405 -0.225 -14.412 1.00 0.00 C ATOM 1742 CG LYS A 112 13.625 0.633 -14.770 1.00 0.00 C ATOM 1743 CD LYS A 112 13.291 1.823 -15.684 1.00 0.00 C ATOM 1744 CE LYS A 112 14.027 3.041 -15.111 1.00 0.00 C ATOM 1745 NZ LYS A 112 13.860 4.289 -15.876 1.00 0.00 N ATOM 0 H LYS A 112 13.737 -2.635 -13.921 1.00 0.00 H new ATOM 0 HA LYS A 112 12.856 -0.286 -12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.177 -0.910 -15.229 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.529 0.409 -14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.079 1.006 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.369 0.006 -15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.609 1.625 -16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.216 1.999 -15.712 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.680 3.209 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.090 2.809 -15.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.136 5.098 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.461 4.259 -16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.865 4.392 -16.160 1.00 0.00 H new ATOM 1759 N LEU A 113 10.838 -1.546 -11.648 1.00 0.00 N ATOM 1760 CA LEU A 113 9.628 -2.215 -11.220 1.00 0.00 C ATOM 1761 C LEU A 113 8.484 -1.584 -12.012 1.00 0.00 C ATOM 1762 O LEU A 113 7.945 -0.538 -11.653 1.00 0.00 O ATOM 1763 CB LEU A 113 9.478 -2.118 -9.698 1.00 0.00 C ATOM 1764 CG LEU A 113 8.484 -3.140 -9.121 1.00 0.00 C ATOM 1765 CD1 LEU A 113 8.477 -3.000 -7.598 1.00 0.00 C ATOM 1766 CD2 LEU A 113 7.058 -2.962 -9.655 1.00 0.00 C ATOM 0 H LEU A 113 11.121 -0.780 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 113 9.640 -3.286 -11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.453 -2.266 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.149 -1.113 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 113 8.812 -4.132 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.777 -3.718 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.477 -3.193 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.172 -1.989 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.406 -3.713 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.694 -1.967 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.058 -3.079 -10.739 1.00 0.00 H new ATOM 1778 N ILE A 114 8.149 -2.215 -13.131 1.00 0.00 N ATOM 1779 CA ILE A 114 7.044 -1.839 -13.984 1.00 0.00 C ATOM 1780 C ILE A 114 5.760 -2.251 -13.260 1.00 0.00 C ATOM 1781 O ILE A 114 5.498 -3.445 -13.103 1.00 0.00 O ATOM 1782 CB ILE A 114 7.198 -2.525 -15.357 1.00 0.00 C ATOM 1783 CG1 ILE A 114 8.523 -2.101 -16.025 1.00 0.00 C ATOM 1784 CG2 ILE A 114 6.007 -2.172 -16.263 1.00 0.00 C ATOM 1785 CD1 ILE A 114 8.892 -2.981 -17.223 1.00 0.00 C ATOM 0 H ILE A 114 8.660 -3.028 -13.475 1.00 0.00 H new ATOM 0 HA ILE A 114 7.016 -0.766 -14.175 1.00 0.00 H new ATOM 0 HB ILE A 114 7.216 -3.604 -15.207 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.444 -1.064 -16.352 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.325 -2.143 -15.289 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.127 -2.662 -17.229 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.082 -2.511 -15.797 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.966 -1.092 -16.406 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.833 -2.636 -17.652 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.001 -4.015 -16.895 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.106 -2.920 -17.975 1.00 0.00 H new ATOM 1797 N LEU A 115 4.965 -1.270 -12.821 1.00 0.00 N ATOM 1798 CA LEU A 115 3.585 -1.489 -12.430 1.00 0.00 C ATOM 1799 C LEU A 115 2.706 -0.984 -13.576 1.00 0.00 C ATOM 1800 O LEU A 115 2.946 0.096 -14.115 1.00 0.00 O ATOM 1801 CB LEU A 115 3.301 -0.819 -11.071 1.00 0.00 C ATOM 1802 CG LEU A 115 1.814 -0.566 -10.766 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.001 -1.859 -10.645 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.688 0.239 -9.468 1.00 0.00 C ATOM 0 H LEU A 115 5.270 -0.301 -12.730 1.00 0.00 H new ATOM 0 HA LEU A 115 3.363 -2.544 -12.272 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.717 -1.445 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.830 0.133 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 115 1.405 -0.007 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.039 -1.616 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.058 -2.413 -11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.406 -2.469 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.635 0.418 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.137 -0.321 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.203 1.193 -9.580 1.00 0.00 H new ATOM 1816 N THR A 116 1.686 -1.757 -13.946 1.00 0.00 N ATOM 1817 CA THR A 116 0.644 -1.325 -14.865 1.00 0.00 C ATOM 1818 C THR A 116 -0.682 -1.614 -14.179 1.00 0.00 C ATOM 1819 O THR A 116 -0.912 -2.749 -13.755 1.00 0.00 O ATOM 1820 CB THR A 116 0.780 -2.048 -16.212 1.00 0.00 C ATOM 1821 OG1 THR A 116 2.048 -1.760 -16.765 1.00 0.00 O ATOM 1822 CG2 THR A 116 -0.284 -1.598 -17.217 1.00 0.00 C ATOM 0 H THR A 116 1.562 -2.712 -13.610 1.00 0.00 H new ATOM 0 HA THR A 116 0.719 -0.262 -15.093 1.00 0.00 H new ATOM 0 HB THR A 116 0.655 -3.114 -16.025 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.142 -2.220 -17.625 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.149 -2.136 -18.155 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.275 -1.810 -16.817 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.186 -0.527 -17.395 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.524 -0.585 -14.030 1.00 0.00 N ATOM 1831 CA LEU A 117 -2.807 -0.688 -13.361 1.00 0.00 C ATOM 1832 C LEU A 117 -3.922 -0.365 -14.357 1.00 0.00 C ATOM 1833 O LEU A 117 -3.869 0.649 -15.056 1.00 0.00 O ATOM 1834 CB LEU A 117 -2.836 0.108 -12.043 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.457 1.599 -12.118 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.055 2.379 -10.935 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -0.936 1.816 -12.059 1.00 0.00 C ATOM 0 H LEU A 117 -1.322 0.352 -14.379 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.982 -1.712 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.840 0.034 -11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.161 -0.378 -11.339 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.851 1.955 -13.070 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.773 3.429 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.141 2.293 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.675 1.968 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.718 2.883 -12.115 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.547 1.415 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.463 1.304 -12.897 1.00 0.00 H new ATOM 1849 N THR A 118 -4.876 -1.291 -14.475 1.00 0.00 N ATOM 1850 CA THR A 118 -5.947 -1.298 -15.454 1.00 0.00 C ATOM 1851 C THR A 118 -7.281 -1.489 -14.731 1.00 0.00 C ATOM 1852 O THR A 118 -7.505 -2.511 -14.072 1.00 0.00 O ATOM 1853 CB THR A 118 -5.671 -2.408 -16.477 1.00 0.00 C ATOM 1854 OG1 THR A 118 -4.455 -2.128 -17.135 1.00 0.00 O ATOM 1855 CG2 THR A 118 -6.770 -2.526 -17.531 1.00 0.00 C ATOM 0 H THR A 118 -4.918 -2.098 -13.852 1.00 0.00 H new ATOM 0 HA THR A 118 -5.998 -0.352 -15.993 1.00 0.00 H new ATOM 0 HB THR A 118 -5.629 -3.350 -15.930 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.268 -2.832 -17.790 1.00 0.00 H new ATOM 0 HG21 THR A 118 -6.522 -3.327 -18.228 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.719 -2.750 -17.044 1.00 0.00 H new ATOM 0 HG23 THR A 118 -6.855 -1.585 -18.075 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.164 -0.498 -14.875 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.572 -0.566 -14.531 1.00 0.00 C ATOM 1865 C HIS A 119 -10.315 -0.877 -15.833 1.00 0.00 C ATOM 1866 O HIS A 119 -9.772 -0.672 -16.915 1.00 0.00 O ATOM 1867 CB HIS A 119 -9.978 0.798 -13.945 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.442 0.973 -13.624 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -12.245 0.086 -12.927 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -12.208 2.051 -13.981 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.488 0.606 -12.898 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.488 1.798 -13.528 1.00 0.00 N ATOM 0 H HIS A 119 -7.897 0.411 -15.252 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.804 -1.331 -13.790 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.405 0.964 -13.033 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.686 1.575 -14.651 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.875 2.929 -14.514 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.349 0.141 -12.442 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.296 2.409 -13.649 1.00 0.00 H new ATOM 1881 N GLY A 120 -11.560 -1.352 -15.753 1.00 0.00 N ATOM 1882 CA GLY A 120 -12.379 -1.617 -16.929 1.00 0.00 C ATOM 1883 C GLY A 120 -12.870 -0.322 -17.584 1.00 0.00 C ATOM 1884 O GLY A 120 -14.071 -0.075 -17.608 1.00 0.00 O ATOM 0 H GLY A 120 -12.025 -1.562 -14.870 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.802 -2.194 -17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.236 -2.228 -16.645 1.00 0.00 H new ATOM 1888 N THR A 121 -11.932 0.488 -18.089 1.00 0.00 N ATOM 1889 CA THR A 121 -12.083 1.697 -18.896 1.00 0.00 C ATOM 1890 C THR A 121 -10.773 2.497 -18.815 1.00 0.00 C ATOM 1891 O THR A 121 -10.102 2.694 -19.826 1.00 0.00 O ATOM 1892 CB THR A 121 -13.351 2.525 -18.580 1.00 0.00 C ATOM 1893 OG1 THR A 121 -13.367 3.680 -19.386 1.00 0.00 O ATOM 1894 CG2 THR A 121 -13.505 2.990 -17.129 1.00 0.00 C ATOM 0 H THR A 121 -10.946 0.288 -17.923 1.00 0.00 H new ATOM 0 HA THR A 121 -12.257 1.405 -19.932 1.00 0.00 H new ATOM 0 HB THR A 121 -14.175 1.840 -18.779 1.00 0.00 H new ATOM 0 HG1 THR A 121 -14.170 4.205 -19.189 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.428 3.560 -17.026 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.539 2.122 -16.470 1.00 0.00 H new ATOM 0 HG23 THR A 121 -12.658 3.619 -16.857 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.379 2.914 -17.607 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.181 3.717 -17.385 1.00 0.00 C ATOM 1904 C ALA A 122 -7.948 2.816 -17.273 1.00 0.00 C ATOM 1905 O ALA A 122 -8.003 1.771 -16.620 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.356 4.568 -16.126 1.00 0.00 C ATOM 0 H ALA A 122 -10.890 2.699 -16.751 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.032 4.383 -18.235 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.459 5.166 -15.964 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.215 5.228 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.519 3.917 -15.267 1.00 0.00 H new ATOM 1912 N VAL A 123 -6.837 3.219 -17.900 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.619 2.424 -18.016 1.00 0.00 C ATOM 1914 C VAL A 123 -4.419 3.317 -17.703 1.00 0.00 C ATOM 1915 O VAL A 123 -4.237 4.339 -18.359 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.504 1.854 -19.442 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -4.332 0.874 -19.535 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -6.773 1.124 -19.887 1.00 0.00 C ATOM 0 H VAL A 123 -6.763 4.131 -18.351 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.647 1.592 -17.313 1.00 0.00 H new ATOM 0 HB VAL A 123 -5.346 2.709 -20.099 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -4.266 0.481 -20.550 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.405 1.390 -19.285 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.489 0.052 -18.837 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -6.637 0.742 -20.899 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -6.971 0.293 -19.210 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -7.615 1.815 -19.870 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.594 2.950 -16.718 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.442 3.740 -16.299 1.00 0.00 C ATOM 1930 C CYS A 124 -1.216 2.837 -16.155 1.00 0.00 C ATOM 1931 O CYS A 124 -1.136 2.051 -15.214 1.00 0.00 O ATOM 1932 CB CYS A 124 -2.800 4.469 -14.992 1.00 0.00 C ATOM 1933 SG CYS A 124 -1.339 5.140 -14.144 1.00 0.00 S ATOM 0 H CYS A 124 -3.712 2.087 -16.187 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.190 4.491 -17.048 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.493 5.281 -15.211 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -3.318 3.779 -14.325 1.00 0.00 H new ATOM 0 HG CYS A 124 -0.266 4.579 -14.618 1.00 0.00 H new ATOM 1939 N THR A 125 -0.221 3.002 -17.035 1.00 0.00 N ATOM 1940 CA THR A 125 1.131 2.529 -16.766 1.00 0.00 C ATOM 1941 C THR A 125 1.671 3.302 -15.561 1.00 0.00 C ATOM 1942 O THR A 125 1.201 4.413 -15.302 1.00 0.00 O ATOM 1943 CB THR A 125 2.010 2.749 -18.007 1.00 0.00 C ATOM 1944 OG1 THR A 125 1.802 4.034 -18.565 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.687 1.737 -19.099 1.00 0.00 C ATOM 0 H THR A 125 -0.333 3.461 -17.939 1.00 0.00 H new ATOM 0 HA THR A 125 1.134 1.462 -16.542 1.00 0.00 H new ATOM 0 HB THR A 125 3.041 2.638 -17.671 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.544 4.660 -17.857 1.00 0.00 H new ATOM 0 HG21 THR A 125 2.325 1.919 -19.964 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.862 0.729 -18.724 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.642 1.839 -19.392 1.00 0.00 H new ATOM 1953 N ARG A 126 2.608 2.725 -14.805 1.00 0.00 N ATOM 1954 CA ARG A 126 3.207 3.367 -13.646 1.00 0.00 C ATOM 1955 C ARG A 126 4.545 2.694 -13.330 1.00 0.00 C ATOM 1956 O ARG A 126 4.612 1.804 -12.489 1.00 0.00 O ATOM 1957 CB ARG A 126 2.218 3.304 -12.473 1.00 0.00 C ATOM 1958 CG ARG A 126 2.686 4.142 -11.283 1.00 0.00 C ATOM 1959 CD ARG A 126 1.558 4.277 -10.255 1.00 0.00 C ATOM 1960 NE ARG A 126 1.970 5.133 -9.135 1.00 0.00 N ATOM 1961 CZ ARG A 126 1.150 5.614 -8.188 1.00 0.00 C ATOM 1962 NH1 ARG A 126 -0.133 5.237 -8.166 1.00 0.00 N ATOM 1963 NH2 ARG A 126 1.613 6.481 -7.282 1.00 0.00 N ATOM 0 H ARG A 126 2.972 1.790 -14.987 1.00 0.00 H new ATOM 0 HA ARG A 126 3.414 4.419 -13.844 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.241 3.657 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.093 2.268 -12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.556 3.676 -10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.997 5.129 -11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.673 4.697 -10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.281 3.291 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 126 2.957 5.381 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.485 4.586 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.759 5.601 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 126 2.589 6.776 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.990 6.847 -6.562 1.00 0.00 H new ATOM 1977 N THR A 127 5.621 3.095 -14.005 1.00 0.00 N ATOM 1978 CA THR A 127 6.910 2.440 -13.816 1.00 0.00 C ATOM 1979 C THR A 127 7.672 3.107 -12.669 1.00 0.00 C ATOM 1980 O THR A 127 7.840 4.333 -12.645 1.00 0.00 O ATOM 1981 CB THR A 127 7.690 2.341 -15.136 1.00 0.00 C ATOM 1982 OG1 THR A 127 8.926 1.680 -14.944 1.00 0.00 O ATOM 1983 CG2 THR A 127 7.955 3.696 -15.777 1.00 0.00 C ATOM 0 H THR A 127 5.625 3.861 -14.679 1.00 0.00 H new ATOM 0 HA THR A 127 6.756 1.404 -13.514 1.00 0.00 H new ATOM 0 HB THR A 127 7.055 1.768 -15.811 1.00 0.00 H new ATOM 0 HG1 THR A 127 9.405 1.627 -15.798 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.509 3.557 -16.705 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.007 4.189 -15.991 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.539 4.313 -15.095 1.00 0.00 H new ATOM 1991 N TYR A 128 8.105 2.282 -11.709 1.00 0.00 N ATOM 1992 CA TYR A 128 8.952 2.677 -10.603 1.00 0.00 C ATOM 1993 C TYR A 128 10.386 2.222 -10.881 1.00 0.00 C ATOM 1994 O TYR A 128 10.623 1.164 -11.460 1.00 0.00 O ATOM 1995 CB TYR A 128 8.441 2.087 -9.284 1.00 0.00 C ATOM 1996 CG TYR A 128 6.971 2.297 -8.978 1.00 0.00 C ATOM 1997 CD1 TYR A 128 6.486 3.592 -8.732 1.00 0.00 C ATOM 1998 CD2 TYR A 128 6.133 1.191 -8.742 1.00 0.00 C ATOM 1999 CE1 TYR A 128 5.167 3.791 -8.297 1.00 0.00 C ATOM 2000 CE2 TYR A 128 4.832 1.382 -8.248 1.00 0.00 C ATOM 2001 CZ TYR A 128 4.352 2.683 -8.022 1.00 0.00 C ATOM 2002 OH TYR A 128 3.103 2.879 -7.512 1.00 0.00 O ATOM 0 H TYR A 128 7.862 1.292 -11.690 1.00 0.00 H new ATOM 0 HA TYR A 128 8.930 3.763 -10.506 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.639 1.015 -9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.025 2.515 -8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.135 4.443 -8.879 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.492 0.192 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.781 4.792 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.201 0.530 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 128 2.665 2.013 -7.378 1.00 0.00 H new ATOM 2012 N GLU A 129 11.343 3.037 -10.456 1.00 0.00 N ATOM 2013 CA GLU A 129 12.770 2.920 -10.702 1.00 0.00 C ATOM 2014 C GLU A 129 13.445 2.795 -9.340 1.00 0.00 C ATOM 2015 O GLU A 129 13.077 3.538 -8.431 1.00 0.00 O ATOM 2016 CB GLU A 129 13.170 4.209 -11.422 1.00 0.00 C ATOM 2017 CG GLU A 129 14.650 4.335 -11.784 1.00 0.00 C ATOM 2018 CD GLU A 129 14.838 5.628 -12.559 1.00 0.00 C ATOM 2019 OE1 GLU A 129 14.965 6.655 -11.858 1.00 0.00 O ATOM 2020 OE2 GLU A 129 14.768 5.576 -13.808 1.00 0.00 O ATOM 0 H GLU A 129 11.123 3.856 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 129 13.055 2.059 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.583 4.289 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.896 5.055 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.263 4.339 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.969 3.482 -12.383 1.00 0.00 H new ATOM 2027 N LYS A 130 14.379 1.852 -9.161 1.00 0.00 N ATOM 2028 CA LYS A 130 14.914 1.573 -7.832 1.00 0.00 C ATOM 2029 C LYS A 130 15.552 2.829 -7.226 1.00 0.00 C ATOM 2030 O LYS A 130 16.184 3.615 -7.933 1.00 0.00 O ATOM 2031 CB LYS A 130 15.874 0.371 -7.851 1.00 0.00 C ATOM 2032 CG LYS A 130 15.842 -0.347 -6.491 1.00 0.00 C ATOM 2033 CD LYS A 130 16.664 -1.642 -6.486 1.00 0.00 C ATOM 2034 CE LYS A 130 16.484 -2.338 -5.125 1.00 0.00 C ATOM 2035 NZ LYS A 130 17.227 -3.612 -5.028 1.00 0.00 N ATOM 0 H LYS A 130 14.771 1.280 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 130 14.085 1.291 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 130 15.589 -0.321 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.887 0.707 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.224 0.324 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.809 -0.576 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 130 16.338 -2.299 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 130 17.717 -1.421 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.817 -1.668 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.424 -2.528 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.069 -4.036 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 16.893 -4.266 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 18.243 -3.432 -5.160 1.00 0.00 H new ATOM 2049 N GLN A 131 15.370 3.038 -5.918 1.00 0.00 N ATOM 2050 CA GLN A 131 15.913 4.215 -5.257 1.00 0.00 C ATOM 2051 C GLN A 131 17.433 4.146 -5.126 1.00 0.00 C ATOM 2052 O GLN A 131 18.069 5.197 -5.098 1.00 0.00 O ATOM 2053 CB GLN A 131 15.274 4.440 -3.877 1.00 0.00 C ATOM 2054 CG GLN A 131 14.208 5.545 -3.899 1.00 0.00 C ATOM 2055 CD GLN A 131 14.732 6.956 -4.187 1.00 0.00 C ATOM 2056 OE1 GLN A 131 16.032 7.151 -4.405 1.00 0.00 O flip ATOM 2057 NE2 GLN A 131 13.946 7.897 -4.246 1.00 0.00 N flip ATOM 0 H GLN A 131 14.853 2.408 -5.305 1.00 0.00 H new ATOM 0 HA GLN A 131 15.665 5.065 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.822 3.510 -3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 131 16.051 4.702 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.462 5.292 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.698 5.554 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.952 7.742 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.287 8.834 -4.463 1.00 0.00 H new ATOM 2066 N ALA A 132 17.993 2.940 -4.989 1.00 0.00 N ATOM 2067 CA ALA A 132 19.423 2.701 -4.864 1.00 0.00 C ATOM 2068 C ALA A 132 19.694 1.226 -5.149 1.00 0.00 C ATOM 2069 O ALA A 132 18.769 0.416 -5.112 1.00 0.00 O ATOM 2070 CB ALA A 132 19.904 3.077 -3.458 1.00 0.00 C ATOM 2071 OXT ALA A 132 20.973 0.802 -5.447 1.00 0.00 O ATOM 0 H ALA A 132 17.442 2.082 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 132 19.968 3.318 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 132 20.975 2.893 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 132 19.702 4.132 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 132 19.377 2.473 -2.719 1.00 0.00 H new TER 2077 ALA A 132