USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 962 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 Single : A 5 TYR OH : rot 110:sc= 0.717 USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.925) USER MOD Single : A 9 ASN : amide:sc= -0.845! C(o=-0.85!,f=-8.5!) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= -0.152 (180deg=-0.155) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0416 F(o=-1.4!,f=-0.042) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.02 F(o=-3.6!,f=-2) USER MOD Single : A 26 MET CE :methyl 157:sc= -0.178 (180deg=-0.91) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0416) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 37 SER OG : rot -135:sc= 1.24 USER MOD Single : A 40 CYS SG : rot -157:sc= -10.5! USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0354) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.93 K(o=1.9,f=-0.54) USER MOD Single : A 51 HIS : no HD1:sc= 0.44 K(o=0.44,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0821) USER MOD Single : A 54 GLN : amide:sc= 1.04 K(o=1,f=-0.96) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.03) USER MOD Single : B 9 ASN : amide:sc= -5.21! C(o=-5.2!,f=-14!) USER MOD Single : B 12 LYS NZ :NH3+ -170:sc= -0.388 (180deg=-0.523) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN :FLIP amide:sc= -0.102 F(o=-1.9,f=-0.1) USER MOD Single : B 22 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-4.3) USER MOD Single : B 26 MET CE :methyl 163:sc= -0.119 (180deg=-0.532) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -169:sc= -0.0139 (180deg=-0.15) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -74:sc= 1.11 USER MOD Single : B 37 SER OG : rot -133:sc= 1.19 USER MOD Single : B 40 CYS SG : rot -10:sc= -6.61! USER MOD Single : B 45 LYS NZ :NH3+ -166:sc= 0.888 (180deg=0.537) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.019) USER MOD Single : B 51 HIS : no HD1:sc= 0.72 K(o=0.72,f=-4.3!) USER MOD Single : B 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0803) USER MOD Single : B 54 GLN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD Single : B 55 LYS NZ :NH3+ 164:sc= -0.0571 (180deg=-0.32) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -13.137 3.845 -15.064 1.00 0.00 N ATOM 2 CA GLY A 2 -14.305 4.609 -14.565 1.00 0.00 C ATOM 3 C GLY A 2 -14.698 4.180 -13.172 1.00 0.00 C ATOM 4 O GLY A 2 -14.741 2.987 -12.886 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.071 5.674 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.148 4.468 -15.241 1.00 0.00 H new ATOM 10 N ARG A 3 -14.977 5.155 -12.307 1.00 0.00 N ATOM 11 CA ARG A 3 -15.376 4.887 -10.925 1.00 0.00 C ATOM 12 C ARG A 3 -14.350 4.013 -10.203 1.00 0.00 C ATOM 13 O ARG A 3 -14.628 2.854 -9.888 1.00 0.00 O ATOM 14 CB ARG A 3 -16.747 4.204 -10.879 1.00 0.00 C ATOM 15 CG ARG A 3 -17.903 5.099 -11.290 1.00 0.00 C ATOM 16 CD ARG A 3 -19.207 4.322 -11.329 1.00 0.00 C ATOM 17 NE ARG A 3 -20.352 5.183 -11.615 1.00 0.00 N ATOM 18 CZ ARG A 3 -21.546 4.739 -12.010 1.00 0.00 C ATOM 19 NH1 ARG A 3 -21.764 3.435 -12.179 1.00 0.00 N ATOM 20 NH2 ARG A 3 -22.527 5.604 -12.221 1.00 0.00 N ATOM 0 H ARG A 3 -14.933 6.147 -12.542 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.433 5.849 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.728 3.332 -11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.926 3.841 -9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.991 5.929 -10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.703 5.530 -12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.141 3.543 -12.088 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.360 3.823 -10.372 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.230 6.190 -11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.014 2.766 -12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -22.681 3.106 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.366 6.602 -12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.443 5.272 -12.523 1.00 0.00 H new ATOM 34 N PRO A 4 -13.148 4.551 -9.931 1.00 0.00 N ATOM 35 CA PRO A 4 -12.108 3.825 -9.197 1.00 0.00 C ATOM 36 C PRO A 4 -12.590 3.379 -7.819 1.00 0.00 C ATOM 37 O PRO A 4 -12.855 4.214 -6.946 1.00 0.00 O ATOM 38 CB PRO A 4 -10.974 4.845 -9.065 1.00 0.00 C ATOM 39 CG PRO A 4 -11.211 5.823 -10.162 1.00 0.00 C ATOM 40 CD PRO A 4 -12.701 5.896 -10.326 1.00 0.00 C ATOM 0 HA PRO A 4 -11.809 2.911 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.992 5.332 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.999 4.368 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.796 6.800 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.731 5.499 -11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.139 6.668 -9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.982 6.129 -11.353 1.00 0.00 H new ATOM 48 N TYR A 5 -12.707 2.061 -7.652 1.00 0.00 N ATOM 49 CA TYR A 5 -13.179 1.441 -6.413 1.00 0.00 C ATOM 50 C TYR A 5 -14.653 1.762 -6.166 1.00 0.00 C ATOM 51 O TYR A 5 -15.514 0.911 -6.370 1.00 0.00 O ATOM 52 CB TYR A 5 -12.309 1.859 -5.222 1.00 0.00 C ATOM 53 CG TYR A 5 -10.841 1.549 -5.431 1.00 0.00 C ATOM 54 CD1 TYR A 5 -10.371 0.245 -5.365 1.00 0.00 C ATOM 55 CD2 TYR A 5 -9.930 2.561 -5.707 1.00 0.00 C ATOM 56 CE1 TYR A 5 -9.035 -0.043 -5.569 1.00 0.00 C ATOM 57 CE2 TYR A 5 -8.592 2.280 -5.911 1.00 0.00 C ATOM 58 CZ TYR A 5 -8.150 0.977 -5.841 1.00 0.00 C ATOM 59 OH TYR A 5 -6.820 0.691 -6.050 1.00 0.00 O ATOM 0 H TYR A 5 -12.474 1.387 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.090 0.360 -6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -12.429 2.928 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.659 1.349 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -11.061 -0.558 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.273 3.584 -5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.686 -1.064 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.896 3.078 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.599 0.836 -6.994 1.00 0.00 H new ATOM 69 N LYS A 6 -14.939 2.983 -5.739 1.00 0.00 N ATOM 70 CA LYS A 6 -16.316 3.433 -5.575 1.00 0.00 C ATOM 71 C LYS A 6 -16.640 4.520 -6.596 1.00 0.00 C ATOM 72 O LYS A 6 -17.156 4.241 -7.675 1.00 0.00 O ATOM 73 CB LYS A 6 -16.561 3.956 -4.158 1.00 0.00 C ATOM 74 CG LYS A 6 -16.475 2.905 -3.061 1.00 0.00 C ATOM 75 CD LYS A 6 -17.710 2.012 -3.027 1.00 0.00 C ATOM 76 CE LYS A 6 -17.608 0.844 -3.993 1.00 0.00 C ATOM 77 NZ LYS A 6 -16.664 -0.195 -3.505 1.00 0.00 N ATOM 0 H LYS A 6 -14.236 3.682 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.972 2.578 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.835 4.741 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.548 4.417 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.588 2.291 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.357 3.397 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.852 1.632 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.591 2.606 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.594 0.402 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.279 1.206 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.192 -0.644 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.951 0.246 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.188 -0.915 -2.968 1.00 0.00 H new ATOM 91 N LEU A 7 -16.314 5.758 -6.254 1.00 0.00 N ATOM 92 CA LEU A 7 -16.482 6.880 -7.164 1.00 0.00 C ATOM 93 C LEU A 7 -15.348 7.879 -6.954 1.00 0.00 C ATOM 94 O LEU A 7 -15.507 8.881 -6.256 1.00 0.00 O ATOM 95 CB LEU A 7 -17.840 7.557 -6.940 1.00 0.00 C ATOM 96 CG LEU A 7 -18.163 8.721 -7.884 1.00 0.00 C ATOM 97 CD1 LEU A 7 -18.206 8.251 -9.330 1.00 0.00 C ATOM 98 CD2 LEU A 7 -19.484 9.368 -7.495 1.00 0.00 C ATOM 0 H LEU A 7 -15.928 6.011 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.452 6.514 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.622 6.804 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.879 7.923 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.371 9.464 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.437 9.095 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.237 7.835 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.975 7.486 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.699 10.193 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.283 8.629 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.417 9.746 -6.475 1.00 0.00 H new ATOM 110 N LEU A 8 -14.194 7.570 -7.545 1.00 0.00 N ATOM 111 CA LEU A 8 -12.992 8.398 -7.411 1.00 0.00 C ATOM 112 C LEU A 8 -12.548 8.480 -5.953 1.00 0.00 C ATOM 113 O LEU A 8 -11.971 9.480 -5.522 1.00 0.00 O ATOM 114 CB LEU A 8 -13.219 9.813 -7.970 1.00 0.00 C ATOM 115 CG LEU A 8 -13.137 9.955 -9.495 1.00 0.00 C ATOM 116 CD1 LEU A 8 -11.808 9.426 -10.005 1.00 0.00 C ATOM 117 CD2 LEU A 8 -14.299 9.249 -10.180 1.00 0.00 C ATOM 0 H LEU A 8 -14.064 6.743 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.204 7.922 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.201 10.157 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.483 10.481 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.205 11.015 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.765 9.534 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.993 9.991 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.710 8.373 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.212 9.368 -11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.279 8.188 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.239 9.684 -9.842 1.00 0.00 H new ATOM 129 N ASN A 9 -12.814 7.421 -5.199 1.00 0.00 N ATOM 130 CA ASN A 9 -12.486 7.397 -3.783 1.00 0.00 C ATOM 131 C ASN A 9 -11.061 6.935 -3.556 1.00 0.00 C ATOM 132 O ASN A 9 -10.721 5.774 -3.781 1.00 0.00 O ATOM 133 CB ASN A 9 -13.455 6.505 -3.002 1.00 0.00 C ATOM 134 CG ASN A 9 -14.847 7.096 -2.926 1.00 0.00 C ATOM 135 OD1 ASN A 9 -15.684 6.841 -3.786 1.00 0.00 O ATOM 136 ND2 ASN A 9 -15.106 7.890 -1.900 1.00 0.00 N ATOM 0 H ASN A 9 -13.255 6.569 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.582 8.418 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.505 5.525 -3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.072 6.353 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.029 8.314 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.383 8.078 -1.205 1.00 0.00 H new ATOM 143 N GLY A 10 -10.246 7.859 -3.092 1.00 0.00 N ATOM 144 CA GLY A 10 -8.863 7.578 -2.797 1.00 0.00 C ATOM 145 C GLY A 10 -8.314 8.626 -1.868 1.00 0.00 C ATOM 146 O GLY A 10 -8.271 9.807 -2.212 1.00 0.00 O ATOM 0 H GLY A 10 -10.526 8.823 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.773 6.592 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.282 7.557 -3.719 1.00 0.00 H new ATOM 150 N ILE A 11 -7.927 8.207 -0.679 1.00 0.00 N ATOM 151 CA ILE A 11 -7.587 9.148 0.374 1.00 0.00 C ATOM 152 C ILE A 11 -6.085 9.145 0.624 1.00 0.00 C ATOM 153 O ILE A 11 -5.425 8.119 0.446 1.00 0.00 O ATOM 154 CB ILE A 11 -8.339 8.812 1.683 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.814 8.495 1.400 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.233 9.962 2.677 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.591 9.653 0.811 1.00 0.00 C ATOM 0 H ILE A 11 -7.840 7.225 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.892 10.142 0.047 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.872 7.929 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.868 7.649 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.293 8.185 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.769 9.704 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.184 10.145 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.670 10.861 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.624 9.349 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.570 10.495 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.139 9.951 -0.135 1.00 0.00 H new ATOM 169 N LYS A 12 -5.563 10.281 1.063 1.00 0.00 N ATOM 170 CA LYS A 12 -4.127 10.476 1.191 1.00 0.00 C ATOM 171 C LYS A 12 -3.688 10.295 2.634 1.00 0.00 C ATOM 172 O LYS A 12 -4.106 11.040 3.523 1.00 0.00 O ATOM 173 CB LYS A 12 -3.762 11.881 0.710 1.00 0.00 C ATOM 174 CG LYS A 12 -2.277 12.204 0.762 1.00 0.00 C ATOM 175 CD LYS A 12 -1.513 11.528 -0.361 1.00 0.00 C ATOM 176 CE LYS A 12 -0.079 12.021 -0.416 1.00 0.00 C ATOM 177 NZ LYS A 12 0.662 11.470 -1.582 1.00 0.00 N ATOM 0 H LYS A 12 -6.120 11.090 1.339 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.614 9.733 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.110 12.001 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.300 12.609 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.137 13.283 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.869 11.886 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.525 10.448 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.006 11.726 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.073 13.110 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.435 11.741 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.626 11.861 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.710 10.434 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.170 11.730 -2.460 1.00 0.00 H new ATOM 191 N LEU A 13 -2.857 9.292 2.850 1.00 0.00 N ATOM 192 CA LEU A 13 -2.352 8.961 4.172 1.00 0.00 C ATOM 193 C LEU A 13 -0.835 9.059 4.196 1.00 0.00 C ATOM 194 O LEU A 13 -0.166 8.670 3.242 1.00 0.00 O ATOM 195 CB LEU A 13 -2.798 7.548 4.574 1.00 0.00 C ATOM 196 CG LEU A 13 -2.592 6.460 3.509 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.388 5.104 4.165 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.789 6.404 2.562 1.00 0.00 C ATOM 0 H LEU A 13 -2.511 8.680 2.111 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.760 9.673 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.256 7.258 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.856 7.580 4.835 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.700 6.711 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.244 4.346 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.509 5.140 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.265 4.853 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.625 5.628 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.692 6.177 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.905 7.367 2.065 1.00 0.00 H new ATOM 210 N GLY A 14 -0.298 9.590 5.278 1.00 0.00 N ATOM 211 CA GLY A 14 1.132 9.759 5.382 1.00 0.00 C ATOM 212 C GLY A 14 1.763 8.724 6.286 1.00 0.00 C ATOM 213 O GLY A 14 1.420 8.636 7.466 1.00 0.00 O ATOM 0 H GLY A 14 -0.828 9.908 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.578 9.693 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.352 10.756 5.764 1.00 0.00 H new ATOM 217 N VAL A 15 2.672 7.938 5.742 1.00 0.00 N ATOM 218 CA VAL A 15 3.377 6.931 6.520 1.00 0.00 C ATOM 219 C VAL A 15 4.807 7.408 6.800 1.00 0.00 C ATOM 220 O VAL A 15 5.316 8.290 6.104 1.00 0.00 O ATOM 221 CB VAL A 15 3.388 5.560 5.785 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.999 4.470 6.652 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.978 5.171 5.358 1.00 0.00 C ATOM 0 H VAL A 15 2.942 7.976 4.759 1.00 0.00 H new ATOM 0 HA VAL A 15 2.855 6.791 7.466 1.00 0.00 H new ATOM 0 HB VAL A 15 4.008 5.666 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.991 3.525 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.026 4.736 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.418 4.366 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.005 4.209 4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.339 5.095 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.579 5.930 4.685 1.00 0.00 H new ATOM 233 N TYR A 16 5.432 6.862 7.839 1.00 0.00 N ATOM 234 CA TYR A 16 6.815 7.186 8.159 1.00 0.00 C ATOM 235 C TYR A 16 7.653 5.921 8.263 1.00 0.00 C ATOM 236 O TYR A 16 7.395 5.062 9.109 1.00 0.00 O ATOM 237 CB TYR A 16 6.908 7.976 9.464 1.00 0.00 C ATOM 238 CG TYR A 16 6.888 9.469 9.264 1.00 0.00 C ATOM 239 CD1 TYR A 16 7.931 10.099 8.606 1.00 0.00 C ATOM 240 CD2 TYR A 16 5.836 10.247 9.724 1.00 0.00 C ATOM 241 CE1 TYR A 16 7.938 11.461 8.413 1.00 0.00 C ATOM 242 CE2 TYR A 16 5.831 11.615 9.536 1.00 0.00 C ATOM 243 CZ TYR A 16 6.883 12.218 8.878 1.00 0.00 C ATOM 244 OH TYR A 16 6.883 13.581 8.692 1.00 0.00 O ATOM 0 H TYR A 16 5.000 6.191 8.474 1.00 0.00 H new ATOM 0 HA TYR A 16 7.204 7.805 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.078 7.693 10.111 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.826 7.699 9.983 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.756 9.509 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.010 9.777 10.236 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.763 11.934 7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.007 12.210 9.902 1.00 0.00 H new ATOM 0 HH TYR A 16 6.068 13.964 9.078 1.00 0.00 H new ATOM 254 N ILE A 17 8.658 5.810 7.402 1.00 0.00 N ATOM 255 CA ILE A 17 9.483 4.608 7.351 1.00 0.00 C ATOM 256 C ILE A 17 10.976 4.956 7.377 1.00 0.00 C ATOM 257 O ILE A 17 11.388 5.996 6.857 1.00 0.00 O ATOM 258 CB ILE A 17 9.164 3.763 6.091 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.597 4.483 4.813 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.675 3.436 6.031 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.361 3.672 3.554 1.00 0.00 C ATOM 0 H ILE A 17 8.921 6.534 6.733 1.00 0.00 H new ATOM 0 HA ILE A 17 9.247 4.019 8.237 1.00 0.00 H new ATOM 0 HB ILE A 17 9.729 2.834 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.056 5.426 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.657 4.728 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.468 2.842 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.391 2.870 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.101 4.361 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.691 4.243 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.924 2.740 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.298 3.449 3.459 1.00 0.00 H new ATOM 273 N PRO A 18 11.792 4.096 8.020 1.00 0.00 N ATOM 274 CA PRO A 18 13.260 4.248 8.075 1.00 0.00 C ATOM 275 C PRO A 18 13.881 4.329 6.683 1.00 0.00 C ATOM 276 O PRO A 18 13.344 3.785 5.724 1.00 0.00 O ATOM 277 CB PRO A 18 13.721 2.971 8.780 1.00 0.00 C ATOM 278 CG PRO A 18 12.542 2.524 9.570 1.00 0.00 C ATOM 279 CD PRO A 18 11.337 2.912 8.767 1.00 0.00 C ATOM 0 HA PRO A 18 13.557 5.166 8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.026 2.211 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.579 3.163 9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.570 1.447 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.527 2.999 10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.025 2.110 8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.485 3.143 9.407 1.00 0.00 H new ATOM 287 N GLN A 19 15.034 4.989 6.595 1.00 0.00 N ATOM 288 CA GLN A 19 15.639 5.345 5.312 1.00 0.00 C ATOM 289 C GLN A 19 16.275 4.150 4.597 1.00 0.00 C ATOM 290 O GLN A 19 16.176 4.045 3.379 1.00 0.00 O ATOM 291 CB GLN A 19 16.683 6.448 5.499 1.00 0.00 C ATOM 292 CG GLN A 19 17.862 6.041 6.369 1.00 0.00 C ATOM 293 CD GLN A 19 18.975 7.070 6.370 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.151 7.757 5.252 1.00 0.00 O flip ATOM 295 NE2 GLN A 19 19.687 7.234 7.361 1.00 0.00 N flip ATOM 0 H GLN A 19 15.573 5.291 7.406 1.00 0.00 H new ATOM 0 HA GLN A 19 14.827 5.705 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.054 6.753 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.201 7.319 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.517 5.885 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.255 5.087 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.521 6.686 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.443 7.918 7.338 1.00 0.00 H new ATOM 304 N GLU A 20 16.948 3.274 5.334 1.00 0.00 N ATOM 305 CA GLU A 20 17.562 2.089 4.735 1.00 0.00 C ATOM 306 C GLU A 20 16.495 1.178 4.140 1.00 0.00 C ATOM 307 O GLU A 20 16.680 0.572 3.082 1.00 0.00 O ATOM 308 CB GLU A 20 18.415 1.324 5.753 1.00 0.00 C ATOM 309 CG GLU A 20 17.674 0.945 7.020 1.00 0.00 C ATOM 310 CD GLU A 20 17.664 2.056 8.048 1.00 0.00 C ATOM 311 OE1 GLU A 20 16.790 2.945 7.968 1.00 0.00 O ATOM 312 OE2 GLU A 20 18.540 2.049 8.935 1.00 0.00 O ATOM 0 H GLU A 20 17.083 3.358 6.341 1.00 0.00 H new ATOM 0 HA GLU A 20 18.222 2.425 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.797 0.418 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 19.279 1.934 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.647 0.679 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.136 0.058 7.454 1.00 0.00 H new ATOM 319 N TRP A 21 15.360 1.134 4.814 1.00 0.00 N ATOM 320 CA TRP A 21 14.243 0.300 4.415 1.00 0.00 C ATOM 321 C TRP A 21 13.437 1.030 3.341 1.00 0.00 C ATOM 322 O TRP A 21 12.805 0.417 2.484 1.00 0.00 O ATOM 323 CB TRP A 21 13.407 0.002 5.666 1.00 0.00 C ATOM 324 CG TRP A 21 12.216 -0.881 5.456 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.177 -2.105 4.853 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.887 -0.610 5.897 1.00 0.00 C ATOM 327 NE1 TRP A 21 10.891 -2.597 4.878 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.084 -1.697 5.516 1.00 0.00 C ATOM 329 CE3 TRP A 21 10.300 0.453 6.572 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.722 -1.746 5.789 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.950 0.402 6.845 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.171 -0.692 6.454 1.00 0.00 C ATOM 0 H TRP A 21 15.187 1.679 5.658 1.00 0.00 H new ATOM 0 HA TRP A 21 14.576 -0.646 3.987 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.054 -0.462 6.411 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.065 0.948 6.086 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.027 -2.612 4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 21 10.590 -3.488 4.484 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.891 1.304 6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.121 -2.590 5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 8.485 1.223 7.371 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.116 -0.701 6.683 1.00 0.00 H new ATOM 343 N HIS A 22 13.512 2.353 3.391 1.00 0.00 N ATOM 344 CA HIS A 22 12.944 3.223 2.365 1.00 0.00 C ATOM 345 C HIS A 22 13.655 2.984 1.037 1.00 0.00 C ATOM 346 O HIS A 22 13.019 2.734 0.013 1.00 0.00 O ATOM 347 CB HIS A 22 13.118 4.688 2.804 1.00 0.00 C ATOM 348 CG HIS A 22 12.486 5.713 1.910 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.204 6.132 1.820 1.00 0.00 N flip ATOM 350 CD2 HIS A 22 13.202 6.490 1.024 1.00 0.00 C flip ATOM 351 CE1 HIS A 22 11.166 7.148 0.897 1.00 0.00 C flip ATOM 352 NE2 HIS A 22 12.386 7.344 0.432 1.00 0.00 N flip ATOM 0 H HIS A 22 13.971 2.858 4.149 1.00 0.00 H new ATOM 0 HA HIS A 22 11.884 3.005 2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.702 4.800 3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.184 4.903 2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.264 6.413 0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.284 7.696 0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 22 12.653 8.038 -0.266 1.00 0.00 H new ATOM 361 N ASP A 23 14.982 3.042 1.086 1.00 0.00 N ATOM 362 CA ASP A 23 15.828 2.907 -0.100 1.00 0.00 C ATOM 363 C ASP A 23 15.641 1.558 -0.787 1.00 0.00 C ATOM 364 O ASP A 23 15.532 1.484 -2.011 1.00 0.00 O ATOM 365 CB ASP A 23 17.296 3.086 0.289 1.00 0.00 C ATOM 366 CG ASP A 23 18.225 3.022 -0.905 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.496 4.081 -1.507 1.00 0.00 O ATOM 368 OD2 ASP A 23 18.692 1.916 -1.241 1.00 0.00 O ATOM 0 H ASP A 23 15.505 3.184 1.950 1.00 0.00 H new ATOM 0 HA ASP A 23 15.530 3.682 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.421 4.045 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.576 2.313 1.005 1.00 0.00 H new ATOM 373 N ARG A 24 15.578 0.494 0.003 1.00 0.00 N ATOM 374 CA ARG A 24 15.481 -0.850 -0.557 1.00 0.00 C ATOM 375 C ARG A 24 14.100 -1.107 -1.143 1.00 0.00 C ATOM 376 O ARG A 24 13.973 -1.763 -2.176 1.00 0.00 O ATOM 377 CB ARG A 24 15.817 -1.900 0.505 1.00 0.00 C ATOM 378 CG ARG A 24 17.261 -2.383 0.457 1.00 0.00 C ATOM 379 CD ARG A 24 18.249 -1.228 0.421 1.00 0.00 C ATOM 380 NE ARG A 24 19.636 -1.697 0.429 1.00 0.00 N ATOM 381 CZ ARG A 24 20.695 -0.916 0.224 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.539 0.356 -0.127 1.00 0.00 N ATOM 383 NH2 ARG A 24 21.916 -1.426 0.318 1.00 0.00 N ATOM 0 H ARG A 24 15.592 0.532 1.022 1.00 0.00 H new ATOM 0 HA ARG A 24 16.207 -0.927 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.616 -1.483 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.153 -2.755 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.464 -3.006 1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.404 -3.010 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.074 -0.628 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.080 -0.579 1.280 1.00 0.00 H new ATOM 0 HE ARG A 24 19.802 -2.688 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.602 0.742 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.356 0.946 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.041 -2.412 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.730 -0.832 0.162 1.00 0.00 H new ATOM 397 N LEU A 25 13.069 -0.576 -0.503 1.00 0.00 N ATOM 398 CA LEU A 25 11.720 -0.699 -1.032 1.00 0.00 C ATOM 399 C LEU A 25 11.577 0.097 -2.317 1.00 0.00 C ATOM 400 O LEU A 25 10.817 -0.282 -3.200 1.00 0.00 O ATOM 401 CB LEU A 25 10.681 -0.252 -0.005 1.00 0.00 C ATOM 402 CG LEU A 25 10.105 -1.379 0.865 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.293 -2.345 0.019 1.00 0.00 C ATOM 404 CD2 LEU A 25 11.213 -2.131 1.585 1.00 0.00 C ATOM 0 H LEU A 25 13.139 -0.061 0.375 1.00 0.00 H new ATOM 0 HA LEU A 25 11.541 -1.751 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.134 0.495 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.861 0.238 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 25 9.452 -0.924 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.893 -3.136 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.471 -1.810 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.932 -2.783 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.778 -2.924 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.892 -2.567 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.764 -1.442 2.225 1.00 0.00 H new ATOM 416 N MET A 26 12.312 1.198 -2.417 1.00 0.00 N ATOM 417 CA MET A 26 12.316 2.001 -3.633 1.00 0.00 C ATOM 418 C MET A 26 12.909 1.230 -4.804 1.00 0.00 C ATOM 419 O MET A 26 12.411 1.315 -5.925 1.00 0.00 O ATOM 420 CB MET A 26 13.076 3.309 -3.429 1.00 0.00 C ATOM 421 CG MET A 26 12.355 4.294 -2.528 1.00 0.00 C ATOM 422 SD MET A 26 13.234 5.860 -2.372 1.00 0.00 S ATOM 423 CE MET A 26 13.228 6.417 -4.074 1.00 0.00 C ATOM 0 H MET A 26 12.911 1.554 -1.673 1.00 0.00 H new ATOM 0 HA MET A 26 11.278 2.236 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.055 3.089 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.248 3.775 -4.399 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.357 4.480 -2.924 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.229 3.852 -1.540 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.348 7.500 -4.103 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.049 5.946 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.282 6.145 -4.543 1.00 0.00 H new ATOM 433 N GLU A 27 13.970 0.478 -4.547 1.00 0.00 N ATOM 434 CA GLU A 27 14.588 -0.324 -5.592 1.00 0.00 C ATOM 435 C GLU A 27 13.647 -1.438 -6.032 1.00 0.00 C ATOM 436 O GLU A 27 13.531 -1.735 -7.223 1.00 0.00 O ATOM 437 CB GLU A 27 15.922 -0.907 -5.125 1.00 0.00 C ATOM 438 CG GLU A 27 16.619 -1.736 -6.191 1.00 0.00 C ATOM 439 CD GLU A 27 18.020 -2.137 -5.797 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.956 -1.357 -6.064 1.00 0.00 O ATOM 441 OE2 GLU A 27 18.196 -3.232 -5.226 1.00 0.00 O ATOM 0 H GLU A 27 14.417 0.407 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 27 14.785 0.327 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.580 -0.093 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.752 -1.527 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.032 -2.633 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.656 -1.167 -7.120 1.00 0.00 H new ATOM 448 N ILE A 28 12.964 -2.042 -5.068 1.00 0.00 N ATOM 449 CA ILE A 28 11.963 -3.056 -5.372 1.00 0.00 C ATOM 450 C ILE A 28 10.825 -2.431 -6.177 1.00 0.00 C ATOM 451 O ILE A 28 10.326 -3.015 -7.141 1.00 0.00 O ATOM 452 CB ILE A 28 11.402 -3.703 -4.084 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.533 -4.372 -3.295 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.314 -4.716 -4.419 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.095 -4.952 -1.966 1.00 0.00 C ATOM 0 H ILE A 28 13.084 -1.849 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 28 12.443 -3.839 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 28 10.959 -2.921 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.965 -5.167 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.322 -3.641 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.933 -5.159 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.500 -4.216 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.729 -5.499 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.951 -5.407 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.690 -4.158 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.328 -5.708 -2.134 1.00 0.00 H new ATOM 467 N ALA A 29 10.450 -1.222 -5.784 1.00 0.00 N ATOM 468 CA ALA A 29 9.394 -0.474 -6.453 1.00 0.00 C ATOM 469 C ALA A 29 9.795 -0.130 -7.882 1.00 0.00 C ATOM 470 O ALA A 29 8.963 -0.073 -8.781 1.00 0.00 O ATOM 471 CB ALA A 29 9.070 0.787 -5.667 1.00 0.00 C ATOM 0 H ALA A 29 10.868 -0.732 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 29 8.501 -1.098 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.280 1.339 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.737 0.516 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.961 1.411 -5.597 1.00 0.00 H new ATOM 477 N LYS A 30 11.089 0.041 -8.096 1.00 0.00 N ATOM 478 CA LYS A 30 11.605 0.422 -9.400 1.00 0.00 C ATOM 479 C LYS A 30 11.567 -0.779 -10.331 1.00 0.00 C ATOM 480 O LYS A 30 11.282 -0.658 -11.524 1.00 0.00 O ATOM 481 CB LYS A 30 13.045 0.915 -9.254 1.00 0.00 C ATOM 482 CG LYS A 30 13.641 1.503 -10.523 1.00 0.00 C ATOM 483 CD LYS A 30 15.150 1.669 -10.398 1.00 0.00 C ATOM 484 CE LYS A 30 15.533 2.553 -9.219 1.00 0.00 C ATOM 485 NZ LYS A 30 17.006 2.602 -9.022 1.00 0.00 N ATOM 0 H LYS A 30 11.805 -0.079 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 30 10.991 1.220 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.080 1.669 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.669 0.084 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.413 0.855 -11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.182 2.470 -10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.614 0.689 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.544 2.101 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.154 3.562 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.057 2.177 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.228 3.213 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.364 1.643 -8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.458 2.984 -9.877 1.00 0.00 H new ATOM 499 N GLU A 31 11.849 -1.934 -9.759 1.00 0.00 N ATOM 500 CA GLU A 31 11.856 -3.187 -10.491 1.00 0.00 C ATOM 501 C GLU A 31 10.451 -3.551 -10.987 1.00 0.00 C ATOM 502 O GLU A 31 10.275 -3.983 -12.127 1.00 0.00 O ATOM 503 CB GLU A 31 12.401 -4.296 -9.588 1.00 0.00 C ATOM 504 CG GLU A 31 12.706 -5.591 -10.318 1.00 0.00 C ATOM 505 CD GLU A 31 13.754 -5.412 -11.394 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.890 -5.011 -11.065 1.00 0.00 O ATOM 507 OE2 GLU A 31 13.455 -5.681 -12.574 1.00 0.00 O ATOM 0 H GLU A 31 12.081 -2.030 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 31 12.497 -3.075 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.310 -3.941 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.676 -4.497 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.049 -6.337 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.790 -5.977 -10.767 1.00 0.00 H new ATOM 514 N LYS A 32 9.452 -3.363 -10.126 1.00 0.00 N ATOM 515 CA LYS A 32 8.086 -3.802 -10.422 1.00 0.00 C ATOM 516 C LYS A 32 7.217 -2.688 -11.008 1.00 0.00 C ATOM 517 O LYS A 32 6.056 -2.918 -11.344 1.00 0.00 O ATOM 518 CB LYS A 32 7.407 -4.393 -9.174 1.00 0.00 C ATOM 519 CG LYS A 32 7.842 -5.818 -8.844 1.00 0.00 C ATOM 520 CD LYS A 32 9.258 -5.873 -8.295 1.00 0.00 C ATOM 521 CE LYS A 32 9.735 -7.306 -8.103 1.00 0.00 C ATOM 522 NZ LYS A 32 8.897 -8.066 -7.136 1.00 0.00 N ATOM 0 H LYS A 32 9.561 -2.910 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 32 8.179 -4.578 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.621 -3.752 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.327 -4.379 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.154 -6.246 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.778 -6.433 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.932 -5.354 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.299 -5.346 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.728 -7.819 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.768 -7.297 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.314 -9.006 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.854 -7.551 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.936 -8.174 -7.519 1.00 0.00 H new ATOM 536 N ASN A 33 7.786 -1.485 -11.117 1.00 0.00 N ATOM 537 CA ASN A 33 7.062 -0.307 -11.627 1.00 0.00 C ATOM 538 C ASN A 33 5.942 0.102 -10.681 1.00 0.00 C ATOM 539 O ASN A 33 4.786 0.244 -11.075 1.00 0.00 O ATOM 540 CB ASN A 33 6.501 -0.542 -13.033 1.00 0.00 C ATOM 541 CG ASN A 33 7.574 -0.516 -14.094 1.00 0.00 C ATOM 542 OD1 ASN A 33 8.138 -1.551 -14.448 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.872 0.668 -14.602 1.00 0.00 N ATOM 0 H ASN A 33 8.754 -1.296 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 33 7.787 0.505 -11.686 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.990 -1.504 -13.061 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.755 0.221 -13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.595 0.749 -15.317 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.379 1.500 -14.279 1.00 0.00 H new ATOM 550 N LEU A 34 6.312 0.286 -9.432 1.00 0.00 N ATOM 551 CA LEU A 34 5.399 0.701 -8.381 1.00 0.00 C ATOM 552 C LEU A 34 6.066 1.803 -7.579 1.00 0.00 C ATOM 553 O LEU A 34 7.257 2.051 -7.744 1.00 0.00 O ATOM 554 CB LEU A 34 5.071 -0.481 -7.463 1.00 0.00 C ATOM 555 CG LEU A 34 4.317 -1.637 -8.119 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.235 -2.826 -7.174 1.00 0.00 C ATOM 557 CD2 LEU A 34 2.924 -1.193 -8.533 1.00 0.00 C ATOM 0 H LEU A 34 7.270 0.150 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 34 4.469 1.061 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.003 -0.867 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.479 -0.114 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 34 4.864 -1.943 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.695 -3.639 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.241 -3.159 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.710 -2.533 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.400 -2.027 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.371 -0.862 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.001 -0.370 -9.244 1.00 0.00 H new ATOM 569 N THR A 35 5.316 2.487 -6.739 1.00 0.00 N ATOM 570 CA THR A 35 5.916 3.440 -5.827 1.00 0.00 C ATOM 571 C THR A 35 5.964 2.846 -4.429 1.00 0.00 C ATOM 572 O THR A 35 5.317 1.831 -4.167 1.00 0.00 O ATOM 573 CB THR A 35 5.148 4.779 -5.783 1.00 0.00 C ATOM 574 OG1 THR A 35 3.815 4.567 -5.304 1.00 0.00 O ATOM 575 CG2 THR A 35 5.098 5.429 -7.158 1.00 0.00 C ATOM 0 H THR A 35 4.302 2.403 -6.668 1.00 0.00 H new ATOM 0 HA THR A 35 6.922 3.647 -6.192 1.00 0.00 H new ATOM 0 HB THR A 35 5.678 5.447 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.255 4.231 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.551 6.370 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.113 5.621 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.594 4.762 -7.858 1.00 0.00 H new ATOM 583 N LEU A 36 6.734 3.450 -3.541 1.00 0.00 N ATOM 584 CA LEU A 36 6.780 3.006 -2.153 1.00 0.00 C ATOM 585 C LEU A 36 5.376 3.018 -1.555 1.00 0.00 C ATOM 586 O LEU A 36 5.002 2.122 -0.797 1.00 0.00 O ATOM 587 CB LEU A 36 7.736 3.878 -1.323 1.00 0.00 C ATOM 588 CG LEU A 36 7.368 5.363 -1.173 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.228 5.998 -0.099 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.548 6.124 -2.480 1.00 0.00 C ATOM 0 H LEU A 36 7.335 4.247 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 36 7.162 1.986 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.811 3.445 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.727 3.818 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 36 6.316 5.417 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.964 7.050 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.061 5.488 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.279 5.913 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.278 7.170 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.589 6.060 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.907 5.688 -3.246 1.00 0.00 H new ATOM 602 N SER A 37 4.599 4.026 -1.931 1.00 0.00 N ATOM 603 CA SER A 37 3.204 4.117 -1.538 1.00 0.00 C ATOM 604 C SER A 37 2.428 2.887 -2.009 1.00 0.00 C ATOM 605 O SER A 37 1.650 2.304 -1.251 1.00 0.00 O ATOM 606 CB SER A 37 2.596 5.388 -2.130 1.00 0.00 C ATOM 607 OG SER A 37 3.430 6.509 -1.885 1.00 0.00 O ATOM 0 H SER A 37 4.919 4.799 -2.514 1.00 0.00 H new ATOM 0 HA SER A 37 3.142 4.157 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.455 5.263 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.611 5.561 -1.697 1.00 0.00 H new ATOM 0 HG SER A 37 2.883 7.265 -1.586 1.00 0.00 H new ATOM 613 N ASP A 38 2.671 2.481 -3.256 1.00 0.00 N ATOM 614 CA ASP A 38 1.997 1.319 -3.829 1.00 0.00 C ATOM 615 C ASP A 38 2.359 0.061 -3.064 1.00 0.00 C ATOM 616 O ASP A 38 1.483 -0.683 -2.656 1.00 0.00 O ATOM 617 CB ASP A 38 2.359 1.124 -5.306 1.00 0.00 C ATOM 618 CG ASP A 38 1.736 2.156 -6.220 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.500 2.142 -6.396 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.485 2.974 -6.788 1.00 0.00 O ATOM 0 H ASP A 38 3.329 2.940 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 38 0.925 1.504 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.443 1.161 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.041 0.131 -5.622 1.00 0.00 H new ATOM 625 N VAL A 39 3.650 -0.159 -2.855 1.00 0.00 N ATOM 626 CA VAL A 39 4.124 -1.371 -2.192 1.00 0.00 C ATOM 627 C VAL A 39 3.628 -1.439 -0.751 1.00 0.00 C ATOM 628 O VAL A 39 3.319 -2.512 -0.249 1.00 0.00 O ATOM 629 CB VAL A 39 5.666 -1.460 -2.206 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.142 -2.778 -1.614 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.208 -1.289 -3.619 1.00 0.00 C ATOM 0 H VAL A 39 4.390 0.485 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 39 3.720 -2.215 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 39 6.050 -0.648 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.231 -2.815 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.797 -2.860 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.739 -3.606 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.296 -1.356 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.806 -2.074 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.910 -0.315 -4.008 1.00 0.00 H new ATOM 641 N CYS A 40 3.547 -0.290 -0.094 1.00 0.00 N ATOM 642 CA CYS A 40 3.073 -0.235 1.282 1.00 0.00 C ATOM 643 C CYS A 40 1.581 -0.581 1.342 1.00 0.00 C ATOM 644 O CYS A 40 1.150 -1.414 2.141 1.00 0.00 O ATOM 645 CB CYS A 40 3.345 1.164 1.866 1.00 0.00 C ATOM 646 SG CYS A 40 3.511 1.221 3.658 1.00 0.00 S ATOM 0 H CYS A 40 3.803 0.614 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 40 3.610 -0.970 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.258 1.557 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.534 1.829 1.570 1.00 0.00 H new ATOM 0 HG CYS A 40 3.252 2.423 4.080 1.00 0.00 H new ATOM 652 N ARG A 41 0.793 0.078 0.507 1.00 0.00 N ATOM 653 CA ARG A 41 -0.620 -0.253 0.345 1.00 0.00 C ATOM 654 C ARG A 41 -0.812 -1.727 -0.029 1.00 0.00 C ATOM 655 O ARG A 41 -1.635 -2.423 0.563 1.00 0.00 O ATOM 656 CB ARG A 41 -1.249 0.649 -0.726 1.00 0.00 C ATOM 657 CG ARG A 41 -2.666 0.254 -1.100 1.00 0.00 C ATOM 658 CD ARG A 41 -2.720 -0.503 -2.416 1.00 0.00 C ATOM 659 NE ARG A 41 -2.925 0.396 -3.552 1.00 0.00 N ATOM 660 CZ ARG A 41 -3.962 0.311 -4.383 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.859 -0.661 -4.236 1.00 0.00 N ATOM 662 NH2 ARG A 41 -4.106 1.193 -5.366 1.00 0.00 N ATOM 0 H ARG A 41 1.109 0.853 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.117 -0.084 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.251 1.678 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.626 0.625 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.090 -0.364 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.284 1.149 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.792 -1.058 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.527 -1.235 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.235 1.129 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.753 -1.343 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.652 -0.724 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.421 1.939 -5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.902 1.124 -6.000 1.00 0.00 H new ATOM 676 N LEU A 42 -0.046 -2.199 -1.004 1.00 0.00 N ATOM 677 CA LEU A 42 -0.135 -3.584 -1.455 1.00 0.00 C ATOM 678 C LEU A 42 0.365 -4.524 -0.371 1.00 0.00 C ATOM 679 O LEU A 42 0.067 -5.718 -0.384 1.00 0.00 O ATOM 680 CB LEU A 42 0.667 -3.794 -2.742 1.00 0.00 C ATOM 681 CG LEU A 42 0.188 -2.979 -3.944 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.114 -3.190 -5.132 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.243 -3.350 -4.310 1.00 0.00 C ATOM 0 H LEU A 42 0.648 -1.640 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.182 -3.805 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.710 -3.546 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.635 -4.852 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 42 0.208 -1.924 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.759 -2.603 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.123 -2.872 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.125 -4.246 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.564 -2.759 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.291 -4.410 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.899 -3.148 -3.463 1.00 0.00 H new ATOM 695 N ALA A 43 1.110 -3.973 0.572 1.00 0.00 N ATOM 696 CA ALA A 43 1.558 -4.728 1.719 1.00 0.00 C ATOM 697 C ALA A 43 0.375 -5.025 2.628 1.00 0.00 C ATOM 698 O ALA A 43 0.287 -6.102 3.210 1.00 0.00 O ATOM 699 CB ALA A 43 2.642 -3.979 2.469 1.00 0.00 C ATOM 0 H ALA A 43 1.416 -3.000 0.561 1.00 0.00 H new ATOM 0 HA ALA A 43 1.986 -5.670 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.963 -4.568 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.492 -3.810 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.252 -3.020 2.811 1.00 0.00 H new ATOM 705 N ILE A 44 -0.552 -4.066 2.727 1.00 0.00 N ATOM 706 CA ILE A 44 -1.787 -4.283 3.475 1.00 0.00 C ATOM 707 C ILE A 44 -2.616 -5.334 2.757 1.00 0.00 C ATOM 708 O ILE A 44 -3.220 -6.207 3.374 1.00 0.00 O ATOM 709 CB ILE A 44 -2.650 -3.002 3.623 1.00 0.00 C ATOM 710 CG1 ILE A 44 -1.857 -1.863 4.271 1.00 0.00 C ATOM 711 CG2 ILE A 44 -3.900 -3.305 4.438 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.701 -0.647 4.611 1.00 0.00 C ATOM 0 H ILE A 44 -0.469 -3.142 2.302 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.499 -4.601 4.477 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.943 -2.677 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.385 -2.233 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.056 -1.561 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.499 -2.399 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.485 -4.074 3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.612 -3.658 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.071 0.117 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.152 -0.251 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.487 -0.933 5.310 1.00 0.00 H new ATOM 724 N LYS A 45 -2.627 -5.232 1.438 1.00 0.00 N ATOM 725 CA LYS A 45 -3.312 -6.197 0.598 1.00 0.00 C ATOM 726 C LYS A 45 -2.752 -7.602 0.820 1.00 0.00 C ATOM 727 O LYS A 45 -3.504 -8.568 0.916 1.00 0.00 O ATOM 728 CB LYS A 45 -3.198 -5.789 -0.875 1.00 0.00 C ATOM 729 CG LYS A 45 -3.744 -6.820 -1.846 1.00 0.00 C ATOM 730 CD LYS A 45 -3.816 -6.274 -3.260 1.00 0.00 C ATOM 731 CE LYS A 45 -4.234 -7.350 -4.247 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.140 -8.323 -4.509 1.00 0.00 N ATOM 0 H LYS A 45 -2.164 -4.483 0.923 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.367 -6.211 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.729 -4.849 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.150 -5.603 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.111 -7.707 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.738 -7.132 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.526 -5.448 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.844 -5.872 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.104 -7.879 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.536 -6.884 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.425 -8.968 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.280 -7.811 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.949 -8.872 -3.646 1.00 0.00 H new ATOM 746 N GLU A 46 -1.430 -7.699 0.934 1.00 0.00 N ATOM 747 CA GLU A 46 -0.767 -8.976 1.163 1.00 0.00 C ATOM 748 C GLU A 46 -1.067 -9.444 2.580 1.00 0.00 C ATOM 749 O GLU A 46 -1.210 -10.640 2.851 1.00 0.00 O ATOM 750 CB GLU A 46 0.744 -8.814 0.972 1.00 0.00 C ATOM 751 CG GLU A 46 1.509 -10.125 0.876 1.00 0.00 C ATOM 752 CD GLU A 46 1.347 -10.801 -0.473 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.999 -10.359 -1.439 1.00 0.00 O ATOM 754 OE2 GLU A 46 0.591 -11.785 -0.574 1.00 0.00 O ATOM 0 H GLU A 46 -0.795 -6.903 0.871 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.134 -9.716 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.923 -8.235 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.143 -8.235 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.567 -9.938 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.165 -10.800 1.660 1.00 0.00 H new ATOM 761 N TYR A 47 -1.182 -8.472 3.472 1.00 0.00 N ATOM 762 CA TYR A 47 -1.489 -8.724 4.866 1.00 0.00 C ATOM 763 C TYR A 47 -2.868 -9.364 4.979 1.00 0.00 C ATOM 764 O TYR A 47 -3.045 -10.381 5.647 1.00 0.00 O ATOM 765 CB TYR A 47 -1.454 -7.400 5.639 1.00 0.00 C ATOM 766 CG TYR A 47 -1.288 -7.538 7.134 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.043 -7.807 7.678 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.361 -7.370 8.002 1.00 0.00 C ATOM 769 CE1 TYR A 47 0.136 -7.910 9.041 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.191 -7.475 9.372 1.00 0.00 C ATOM 771 CZ TYR A 47 -0.938 -7.744 9.884 1.00 0.00 C ATOM 772 OH TYR A 47 -0.753 -7.841 11.244 1.00 0.00 O ATOM 0 H TYR A 47 -1.064 -7.484 3.246 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.750 -9.405 5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.636 -6.792 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.377 -6.856 5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.804 -7.939 7.021 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.341 -7.155 7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.115 -8.120 9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.033 -7.347 10.036 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.608 -7.698 11.701 1.00 0.00 H new ATOM 782 N LEU A 48 -3.833 -8.760 4.299 1.00 0.00 N ATOM 783 CA LEU A 48 -5.203 -9.252 4.294 1.00 0.00 C ATOM 784 C LEU A 48 -5.305 -10.578 3.548 1.00 0.00 C ATOM 785 O LEU A 48 -5.903 -11.526 4.044 1.00 0.00 O ATOM 786 CB LEU A 48 -6.134 -8.222 3.645 1.00 0.00 C ATOM 787 CG LEU A 48 -6.118 -6.827 4.278 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.065 -5.891 3.540 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.478 -6.903 5.754 1.00 0.00 C ATOM 0 H LEU A 48 -3.689 -7.920 3.738 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.507 -9.412 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.865 -8.128 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.153 -8.606 3.681 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.108 -6.425 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.039 -4.906 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.756 -5.808 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.079 -6.288 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.461 -5.902 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.476 -7.328 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.756 -7.533 6.273 1.00 0.00 H new ATOM 801 N ASP A 49 -4.688 -10.638 2.372 1.00 0.00 N ATOM 802 CA ASP A 49 -4.810 -11.791 1.476 1.00 0.00 C ATOM 803 C ASP A 49 -4.384 -13.088 2.160 1.00 0.00 C ATOM 804 O ASP A 49 -5.110 -14.079 2.142 1.00 0.00 O ATOM 805 CB ASP A 49 -3.956 -11.566 0.225 1.00 0.00 C ATOM 806 CG ASP A 49 -4.240 -12.561 -0.888 1.00 0.00 C ATOM 807 OD1 ASP A 49 -3.794 -13.724 -0.793 1.00 0.00 O ATOM 808 OD2 ASP A 49 -4.884 -12.167 -1.885 1.00 0.00 O ATOM 0 H ASP A 49 -4.091 -9.894 2.011 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.860 -11.887 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.130 -10.556 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.902 -11.628 0.498 1.00 0.00 H new ATOM 813 N ASN A 50 -3.217 -13.064 2.788 1.00 0.00 N ATOM 814 CA ASN A 50 -2.637 -14.274 3.365 1.00 0.00 C ATOM 815 C ASN A 50 -3.257 -14.622 4.711 1.00 0.00 C ATOM 816 O ASN A 50 -3.121 -15.747 5.190 1.00 0.00 O ATOM 817 CB ASN A 50 -1.125 -14.122 3.509 1.00 0.00 C ATOM 818 CG ASN A 50 -0.429 -14.061 2.168 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.029 -15.082 1.608 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.281 -12.860 1.649 1.00 0.00 N ATOM 0 H ASN A 50 -2.652 -12.224 2.912 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.855 -15.094 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.904 -13.216 4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.730 -14.959 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.181 -12.748 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.629 -12.042 2.149 1.00 0.00 H new ATOM 827 N HIS A 51 -3.935 -13.663 5.330 1.00 0.00 N ATOM 828 CA HIS A 51 -4.608 -13.920 6.600 1.00 0.00 C ATOM 829 C HIS A 51 -6.040 -14.366 6.344 1.00 0.00 C ATOM 830 O HIS A 51 -6.557 -15.259 7.013 1.00 0.00 O ATOM 831 CB HIS A 51 -4.597 -12.679 7.500 1.00 0.00 C ATOM 832 CG HIS A 51 -3.236 -12.289 8.003 1.00 0.00 C ATOM 833 ND1 HIS A 51 -3.031 -11.231 8.859 1.00 0.00 N ATOM 834 CD2 HIS A 51 -2.009 -12.812 7.757 1.00 0.00 C ATOM 835 CE1 HIS A 51 -1.741 -11.118 9.115 1.00 0.00 C ATOM 836 NE2 HIS A 51 -1.097 -12.064 8.459 1.00 0.00 N ATOM 0 H HIS A 51 -4.034 -12.710 4.979 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.066 -14.713 7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.021 -11.841 6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.249 -12.859 8.355 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.790 -13.660 7.125 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.288 -10.375 9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.088 -12.215 8.471 1.00 0.00 H new ATOM 845 N ASP A 52 -6.664 -13.748 5.356 1.00 0.00 N ATOM 846 CA ASP A 52 -8.018 -14.097 4.956 1.00 0.00 C ATOM 847 C ASP A 52 -7.958 -15.114 3.822 1.00 0.00 C ATOM 848 O ASP A 52 -8.036 -14.765 2.645 1.00 0.00 O ATOM 849 CB ASP A 52 -8.774 -12.838 4.523 1.00 0.00 C ATOM 850 CG ASP A 52 -10.207 -13.115 4.117 1.00 0.00 C ATOM 851 OD1 ASP A 52 -11.017 -13.481 4.996 1.00 0.00 O ATOM 852 OD2 ASP A 52 -10.529 -12.955 2.922 1.00 0.00 O ATOM 0 H ASP A 52 -6.249 -12.993 4.810 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.551 -14.539 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.767 -12.118 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.249 -12.376 3.687 1.00 0.00 H new ATOM 857 N LYS A 53 -7.789 -16.373 4.197 1.00 0.00 N ATOM 858 CA LYS A 53 -7.579 -17.450 3.239 1.00 0.00 C ATOM 859 C LYS A 53 -8.879 -17.873 2.571 1.00 0.00 C ATOM 860 O LYS A 53 -8.980 -17.858 1.343 1.00 0.00 O ATOM 861 CB LYS A 53 -6.950 -18.653 3.941 1.00 0.00 C ATOM 862 CG LYS A 53 -5.579 -18.373 4.542 1.00 0.00 C ATOM 863 CD LYS A 53 -4.998 -19.611 5.210 1.00 0.00 C ATOM 864 CE LYS A 53 -4.844 -20.762 4.226 1.00 0.00 C ATOM 865 NZ LYS A 53 -3.895 -20.439 3.127 1.00 0.00 N ATOM 0 H LYS A 53 -7.793 -16.677 5.171 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.908 -17.078 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.620 -18.990 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.862 -19.472 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.902 -18.029 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.659 -17.568 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.027 -19.369 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.645 -19.919 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.494 -21.647 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.818 -21.008 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.717 -21.292 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.304 -19.700 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.999 -20.099 3.531 1.00 0.00 H new ATOM 879 N GLN A 54 -9.860 -18.265 3.386 1.00 0.00 N ATOM 880 CA GLN A 54 -11.134 -18.792 2.889 1.00 0.00 C ATOM 881 C GLN A 54 -10.912 -20.073 2.078 1.00 0.00 C ATOM 882 O GLN A 54 -9.792 -20.594 2.006 1.00 0.00 O ATOM 883 CB GLN A 54 -11.857 -17.756 2.015 1.00 0.00 C ATOM 884 CG GLN A 54 -12.120 -16.428 2.704 1.00 0.00 C ATOM 885 CD GLN A 54 -12.959 -15.492 1.853 1.00 0.00 C ATOM 886 OE1 GLN A 54 -13.792 -15.935 1.062 1.00 0.00 O ATOM 887 NE2 GLN A 54 -12.745 -14.196 2.001 1.00 0.00 N ATOM 0 H GLN A 54 -9.796 -18.227 4.403 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.755 -19.018 3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.262 -17.575 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.808 -18.176 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.628 -16.607 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.170 -15.948 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.046 -13.867 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.279 -13.525 1.449 1.00 0.00 H new ATOM 896 N LYS A 55 -11.993 -20.591 1.498 1.00 0.00 N ATOM 897 CA LYS A 55 -11.914 -21.660 0.503 1.00 0.00 C ATOM 898 C LYS A 55 -11.317 -22.955 1.059 1.00 0.00 C ATOM 899 O LYS A 55 -10.499 -23.599 0.399 1.00 0.00 O ATOM 900 CB LYS A 55 -11.096 -21.182 -0.698 1.00 0.00 C ATOM 901 CG LYS A 55 -11.712 -19.997 -1.428 1.00 0.00 C ATOM 902 CD LYS A 55 -10.751 -19.413 -2.448 1.00 0.00 C ATOM 903 CE LYS A 55 -10.294 -20.457 -3.453 1.00 0.00 C ATOM 904 NZ LYS A 55 -11.416 -20.974 -4.282 1.00 0.00 N ATOM 0 H LYS A 55 -12.944 -20.284 1.703 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.935 -21.891 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.097 -20.909 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.980 -22.009 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.628 -20.312 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.991 -19.229 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.235 -18.589 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.884 -18.998 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.535 -20.023 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.825 -21.286 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.045 -21.632 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.097 -21.472 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.892 -20.180 -4.756 1.00 0.00 H new ATOM 918 N LYS A 56 -11.731 -23.353 2.250 1.00 0.00 N ATOM 919 CA LYS A 56 -11.298 -24.631 2.800 1.00 0.00 C ATOM 920 C LYS A 56 -12.350 -25.698 2.525 1.00 0.00 C ATOM 921 O LYS A 56 -12.207 -26.436 1.526 1.00 0.00 O ATOM 922 CB LYS A 56 -11.032 -24.537 4.304 1.00 0.00 C ATOM 923 CG LYS A 56 -9.874 -23.626 4.673 1.00 0.00 C ATOM 924 CD LYS A 56 -9.492 -23.783 6.138 1.00 0.00 C ATOM 925 CE LYS A 56 -10.669 -23.506 7.060 1.00 0.00 C ATOM 926 NZ LYS A 56 -10.319 -23.724 8.488 1.00 0.00 N ATOM 927 OXT LYS A 56 -13.333 -25.775 3.288 1.00 0.00 O ATOM 0 H LYS A 56 -12.359 -22.819 2.850 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.363 -24.905 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.934 -24.179 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.831 -25.536 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.014 -23.855 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.147 -22.589 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.124 -24.794 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.675 -23.101 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.004 -22.478 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.503 -24.153 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.148 -23.524 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.023 -24.711 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.540 -23.089 8.755 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 18.734 5.891 22.692 1.00 0.00 N ATOM 943 CA GLY B 2 17.779 4.908 22.123 1.00 0.00 C ATOM 944 C GLY B 2 18.124 4.518 20.698 1.00 0.00 C ATOM 945 O GLY B 2 17.866 3.386 20.288 1.00 0.00 O ATOM 0 HA2 GLY B 2 17.767 4.015 22.748 1.00 0.00 H new ATOM 0 HA3 GLY B 2 16.773 5.328 22.148 1.00 0.00 H new ATOM 951 N ARG B 3 18.713 5.453 19.945 1.00 0.00 N ATOM 952 CA ARG B 3 19.084 5.219 18.546 1.00 0.00 C ATOM 953 C ARG B 3 17.869 4.871 17.689 1.00 0.00 C ATOM 954 O ARG B 3 17.488 3.706 17.571 1.00 0.00 O ATOM 955 CB ARG B 3 20.142 4.117 18.433 1.00 0.00 C ATOM 956 CG ARG B 3 21.557 4.603 18.704 1.00 0.00 C ATOM 957 CD ARG B 3 22.560 3.460 18.673 1.00 0.00 C ATOM 958 NE ARG B 3 23.937 3.947 18.576 1.00 0.00 N ATOM 959 CZ ARG B 3 25.012 3.283 19.009 1.00 0.00 C ATOM 960 NH1 ARG B 3 24.895 2.098 19.596 1.00 0.00 N ATOM 961 NH2 ARG B 3 26.216 3.811 18.843 1.00 0.00 N ATOM 0 H ARG B 3 18.944 6.386 20.285 1.00 0.00 H new ATOM 0 HA ARG B 3 19.507 6.150 18.169 1.00 0.00 H new ATOM 0 HB2 ARG B 3 19.900 3.319 19.135 1.00 0.00 H new ATOM 0 HB3 ARG B 3 20.100 3.686 17.433 1.00 0.00 H new ATOM 0 HG2 ARG B 3 21.834 5.350 17.960 1.00 0.00 H new ATOM 0 HG3 ARG B 3 21.593 5.093 19.677 1.00 0.00 H new ATOM 0 HD2 ARG B 3 22.451 2.856 19.574 1.00 0.00 H new ATOM 0 HD3 ARG B 3 22.344 2.810 17.825 1.00 0.00 H new ATOM 0 HE ARG B 3 24.086 4.860 18.146 1.00 0.00 H new ATOM 0 HH11 ARG B 3 23.973 1.680 19.723 1.00 0.00 H new ATOM 0 HH12 ARG B 3 25.727 1.605 19.920 1.00 0.00 H new ATOM 0 HH21 ARG B 3 26.317 4.718 18.387 1.00 0.00 H new ATOM 0 HH22 ARG B 3 27.042 3.310 19.171 1.00 0.00 H new ATOM 975 N PRO B 4 17.233 5.890 17.091 1.00 0.00 N ATOM 976 CA PRO B 4 16.106 5.695 16.176 1.00 0.00 C ATOM 977 C PRO B 4 16.560 5.034 14.880 1.00 0.00 C ATOM 978 O PRO B 4 16.816 5.714 13.879 1.00 0.00 O ATOM 979 CB PRO B 4 15.588 7.117 15.912 1.00 0.00 C ATOM 980 CG PRO B 4 16.249 7.978 16.935 1.00 0.00 C ATOM 981 CD PRO B 4 17.553 7.310 17.261 1.00 0.00 C ATOM 0 HA PRO B 4 15.341 5.040 16.593 1.00 0.00 H new ATOM 0 HB2 PRO B 4 15.838 7.445 14.903 1.00 0.00 H new ATOM 0 HB3 PRO B 4 14.503 7.163 16.003 1.00 0.00 H new ATOM 0 HG2 PRO B 4 16.412 8.985 16.550 1.00 0.00 H new ATOM 0 HG3 PRO B 4 15.627 8.074 17.825 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.351 7.629 16.591 1.00 0.00 H new ATOM 0 HD3 PRO B 4 17.881 7.533 18.276 1.00 0.00 H new ATOM 989 N TYR B 5 16.668 3.704 14.930 1.00 0.00 N ATOM 990 CA TYR B 5 17.176 2.893 13.825 1.00 0.00 C ATOM 991 C TYR B 5 18.661 3.151 13.592 1.00 0.00 C ATOM 992 O TYR B 5 19.498 2.302 13.897 1.00 0.00 O ATOM 993 CB TYR B 5 16.376 3.127 12.539 1.00 0.00 C ATOM 994 CG TYR B 5 14.972 2.570 12.595 1.00 0.00 C ATOM 995 CD1 TYR B 5 14.734 1.224 12.347 1.00 0.00 C ATOM 996 CD2 TYR B 5 13.889 3.382 12.902 1.00 0.00 C ATOM 997 CE1 TYR B 5 13.457 0.705 12.402 1.00 0.00 C ATOM 998 CE2 TYR B 5 12.607 2.870 12.957 1.00 0.00 C ATOM 999 CZ TYR B 5 12.397 1.530 12.707 1.00 0.00 C ATOM 1000 OH TYR B 5 11.126 1.010 12.765 1.00 0.00 O ATOM 0 H TYR B 5 16.402 3.156 15.748 1.00 0.00 H new ATOM 0 HA TYR B 5 17.052 1.847 14.106 1.00 0.00 H new ATOM 0 HB2 TYR B 5 16.326 4.198 12.341 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.906 2.672 11.702 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.562 0.573 12.107 1.00 0.00 H new ATOM 0 HD2 TYR B 5 14.051 4.431 13.101 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.289 -0.344 12.207 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.774 3.515 13.194 1.00 0.00 H new ATOM 0 HH TYR B 5 10.492 1.721 12.993 1.00 0.00 H new ATOM 1010 N LYS B 6 18.986 4.325 13.071 1.00 0.00 N ATOM 1011 CA LYS B 6 20.370 4.684 12.785 1.00 0.00 C ATOM 1012 C LYS B 6 20.605 6.145 13.146 1.00 0.00 C ATOM 1013 O LYS B 6 21.309 6.458 14.104 1.00 0.00 O ATOM 1014 CB LYS B 6 20.691 4.464 11.299 1.00 0.00 C ATOM 1015 CG LYS B 6 20.367 3.072 10.784 1.00 0.00 C ATOM 1016 CD LYS B 6 21.330 2.027 11.315 1.00 0.00 C ATOM 1017 CE LYS B 6 20.920 0.633 10.873 1.00 0.00 C ATOM 1018 NZ LYS B 6 20.813 0.522 9.395 1.00 0.00 N ATOM 0 H LYS B 6 18.307 5.049 12.836 1.00 0.00 H new ATOM 0 HA LYS B 6 21.024 4.048 13.381 1.00 0.00 H new ATOM 0 HB2 LYS B 6 20.137 5.194 10.709 1.00 0.00 H new ATOM 0 HB3 LYS B 6 21.751 4.660 11.136 1.00 0.00 H new ATOM 0 HG2 LYS B 6 19.350 2.807 11.073 1.00 0.00 H new ATOM 0 HG3 LYS B 6 20.399 3.073 9.694 1.00 0.00 H new ATOM 0 HD2 LYS B 6 22.338 2.243 10.960 1.00 0.00 H new ATOM 0 HD3 LYS B 6 21.358 2.073 12.404 1.00 0.00 H new ATOM 0 HE2 LYS B 6 21.648 -0.091 11.238 1.00 0.00 H new ATOM 0 HE3 LYS B 6 19.962 0.377 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 20.767 -0.481 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 19.952 1.008 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 21.645 0.962 8.953 1.00 0.00 H new ATOM 1032 N LEU B 7 19.979 7.031 12.384 1.00 0.00 N ATOM 1033 CA LEU B 7 20.127 8.462 12.576 1.00 0.00 C ATOM 1034 C LEU B 7 18.806 9.164 12.267 1.00 0.00 C ATOM 1035 O LEU B 7 18.699 9.911 11.292 1.00 0.00 O ATOM 1036 CB LEU B 7 21.244 8.997 11.673 1.00 0.00 C ATOM 1037 CG LEU B 7 21.590 10.476 11.854 1.00 0.00 C ATOM 1038 CD1 LEU B 7 22.130 10.731 13.251 1.00 0.00 C ATOM 1039 CD2 LEU B 7 22.592 10.917 10.800 1.00 0.00 C ATOM 0 H LEU B 7 19.356 6.776 11.618 1.00 0.00 H new ATOM 0 HA LEU B 7 20.394 8.661 13.614 1.00 0.00 H new ATOM 0 HB2 LEU B 7 22.144 8.408 11.851 1.00 0.00 H new ATOM 0 HB3 LEU B 7 20.956 8.834 10.634 1.00 0.00 H new ATOM 0 HG LEU B 7 20.680 11.063 11.730 1.00 0.00 H new ATOM 0 HD11 LEU B 7 22.370 11.788 13.361 1.00 0.00 H new ATOM 0 HD12 LEU B 7 21.378 10.452 13.989 1.00 0.00 H new ATOM 0 HD13 LEU B 7 23.030 10.136 13.407 1.00 0.00 H new ATOM 0 HD21 LEU B 7 22.829 11.972 10.942 1.00 0.00 H new ATOM 0 HD22 LEU B 7 23.503 10.325 10.893 1.00 0.00 H new ATOM 0 HD23 LEU B 7 22.165 10.771 9.808 1.00 0.00 H new ATOM 1051 N LEU B 8 17.800 8.902 13.102 1.00 0.00 N ATOM 1052 CA LEU B 8 16.457 9.456 12.908 1.00 0.00 C ATOM 1053 C LEU B 8 15.901 9.017 11.559 1.00 0.00 C ATOM 1054 O LEU B 8 15.560 9.848 10.712 1.00 0.00 O ATOM 1055 CB LEU B 8 16.461 10.994 13.002 1.00 0.00 C ATOM 1056 CG LEU B 8 16.532 11.592 14.415 1.00 0.00 C ATOM 1057 CD1 LEU B 8 15.382 11.083 15.270 1.00 0.00 C ATOM 1058 CD2 LEU B 8 17.873 11.301 15.077 1.00 0.00 C ATOM 0 H LEU B 8 17.890 8.306 13.925 1.00 0.00 H new ATOM 0 HA LEU B 8 15.819 9.074 13.705 1.00 0.00 H new ATOM 0 HB2 LEU B 8 17.309 11.369 12.429 1.00 0.00 H new ATOM 0 HB3 LEU B 8 15.559 11.368 12.518 1.00 0.00 H new ATOM 0 HG LEU B 8 16.440 12.674 14.324 1.00 0.00 H new ATOM 0 HD11 LEU B 8 15.450 11.518 16.267 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.435 11.369 14.813 1.00 0.00 H new ATOM 0 HD13 LEU B 8 15.436 9.997 15.343 1.00 0.00 H new ATOM 0 HD21 LEU B 8 17.889 11.739 16.075 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.016 10.223 15.151 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.675 11.733 14.479 1.00 0.00 H new ATOM 1070 N ASN B 9 15.808 7.706 11.372 1.00 0.00 N ATOM 1071 CA ASN B 9 15.417 7.135 10.088 1.00 0.00 C ATOM 1072 C ASN B 9 13.905 7.125 9.942 1.00 0.00 C ATOM 1073 O ASN B 9 13.222 6.258 10.487 1.00 0.00 O ATOM 1074 CB ASN B 9 15.968 5.711 9.926 1.00 0.00 C ATOM 1075 CG ASN B 9 17.482 5.667 9.826 1.00 0.00 C ATOM 1076 OD1 ASN B 9 18.184 6.476 10.424 1.00 0.00 O ATOM 1077 ND2 ASN B 9 18.000 4.716 9.070 1.00 0.00 N ATOM 0 H ASN B 9 15.999 7.015 12.097 1.00 0.00 H new ATOM 0 HA ASN B 9 15.843 7.762 9.304 1.00 0.00 H new ATOM 0 HB2 ASN B 9 15.648 5.105 10.774 1.00 0.00 H new ATOM 0 HB3 ASN B 9 15.537 5.261 9.032 1.00 0.00 H new ATOM 0 HD21 ASN B 9 19.012 4.638 8.970 1.00 0.00 H new ATOM 0 HD22 ASN B 9 17.388 4.059 8.586 1.00 0.00 H new ATOM 1084 N GLY B 10 13.396 8.094 9.203 1.00 0.00 N ATOM 1085 CA GLY B 10 11.974 8.207 8.995 1.00 0.00 C ATOM 1086 C GLY B 10 11.656 9.145 7.853 1.00 0.00 C ATOM 1087 O GLY B 10 11.758 10.365 7.995 1.00 0.00 O ATOM 0 H GLY B 10 13.952 8.812 8.739 1.00 0.00 H new ATOM 0 HA2 GLY B 10 11.556 7.222 8.786 1.00 0.00 H new ATOM 0 HA3 GLY B 10 11.499 8.568 9.907 1.00 0.00 H new ATOM 1091 N ILE B 11 11.273 8.579 6.722 1.00 0.00 N ATOM 1092 CA ILE B 11 10.973 9.365 5.535 1.00 0.00 C ATOM 1093 C ILE B 11 9.464 9.447 5.343 1.00 0.00 C ATOM 1094 O ILE B 11 8.734 8.546 5.759 1.00 0.00 O ATOM 1095 CB ILE B 11 11.636 8.754 4.271 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.121 8.485 4.526 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.470 9.675 3.067 1.00 0.00 C ATOM 1098 CD1 ILE B 11 13.909 9.731 4.873 1.00 0.00 C ATOM 0 H ILE B 11 11.162 7.573 6.599 1.00 0.00 H new ATOM 0 HA ILE B 11 11.380 10.366 5.676 1.00 0.00 H new ATOM 0 HB ILE B 11 11.137 7.810 4.051 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.218 7.765 5.339 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.556 8.024 3.639 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.943 9.223 2.195 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.409 9.825 2.867 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.939 10.636 3.277 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.953 9.466 5.041 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.843 10.444 4.051 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.499 10.181 5.777 1.00 0.00 H new ATOM 1110 N LYS B 12 9.008 10.515 4.700 1.00 0.00 N ATOM 1111 CA LYS B 12 7.582 10.797 4.573 1.00 0.00 C ATOM 1112 C LYS B 12 7.069 10.358 3.209 1.00 0.00 C ATOM 1113 O LYS B 12 7.551 10.821 2.172 1.00 0.00 O ATOM 1114 CB LYS B 12 7.346 12.303 4.750 1.00 0.00 C ATOM 1115 CG LYS B 12 5.909 12.753 4.517 1.00 0.00 C ATOM 1116 CD LYS B 12 5.000 12.406 5.683 1.00 0.00 C ATOM 1117 CE LYS B 12 3.571 12.850 5.414 1.00 0.00 C ATOM 1118 NZ LYS B 12 2.703 12.705 6.612 1.00 0.00 N ATOM 0 H LYS B 12 9.611 11.206 4.254 1.00 0.00 H new ATOM 0 HA LYS B 12 7.043 10.243 5.342 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.642 12.587 5.760 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.998 12.843 4.063 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.890 13.830 4.353 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.527 12.285 3.610 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.023 11.330 5.858 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.368 12.885 6.590 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.571 13.891 5.091 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.158 12.262 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 1.710 12.856 6.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.813 11.749 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.978 13.409 7.327 1.00 0.00 H new ATOM 1132 N LEU B 13 6.094 9.462 3.218 1.00 0.00 N ATOM 1133 CA LEU B 13 5.519 8.942 1.989 1.00 0.00 C ATOM 1134 C LEU B 13 4.002 8.961 2.061 1.00 0.00 C ATOM 1135 O LEU B 13 3.414 8.582 3.076 1.00 0.00 O ATOM 1136 CB LEU B 13 6.014 7.518 1.710 1.00 0.00 C ATOM 1137 CG LEU B 13 5.926 6.531 2.883 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.832 5.103 2.365 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.142 6.669 3.794 1.00 0.00 C ATOM 0 H LEU B 13 5.683 9.078 4.069 1.00 0.00 H new ATOM 0 HA LEU B 13 5.842 9.585 1.170 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.441 7.112 0.876 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.053 7.573 1.385 1.00 0.00 H new ATOM 0 HG LEU B 13 5.029 6.763 3.457 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.770 4.414 3.207 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.942 4.999 1.745 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.717 4.872 1.772 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.061 5.961 4.619 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.048 6.461 3.225 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.187 7.684 4.190 1.00 0.00 H new ATOM 1151 N GLY B 14 3.377 9.414 0.987 1.00 0.00 N ATOM 1152 CA GLY B 14 1.938 9.487 0.947 1.00 0.00 C ATOM 1153 C GLY B 14 1.329 8.387 0.102 1.00 0.00 C ATOM 1154 O GLY B 14 1.579 8.309 -1.102 1.00 0.00 O ATOM 0 H GLY B 14 3.846 9.733 0.139 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.545 9.422 1.962 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.637 10.456 0.550 1.00 0.00 H new ATOM 1158 N VAL B 15 0.512 7.558 0.724 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.125 6.440 0.044 1.00 0.00 C ATOM 1160 C VAL B 15 -1.594 6.769 -0.236 1.00 0.00 C ATOM 1161 O VAL B 15 -2.192 7.588 0.465 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.027 5.147 0.899 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.592 3.946 0.158 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.415 4.892 1.315 1.00 0.00 C ATOM 0 H VAL B 15 0.270 7.638 1.712 1.00 0.00 H new ATOM 0 HA VAL B 15 0.393 6.270 -0.900 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.628 5.294 1.796 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.507 3.059 0.785 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.641 4.125 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.033 3.792 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.466 3.982 1.913 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.035 4.777 0.426 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.778 5.734 1.904 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.151 6.173 -1.286 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.568 6.319 -1.599 1.00 0.00 C ATOM 1176 C TYR B 16 -4.278 4.978 -1.522 1.00 0.00 C ATOM 1177 O TYR B 16 -3.939 4.050 -2.257 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.772 6.899 -2.996 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.842 8.401 -3.020 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.694 9.068 -2.161 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.082 9.151 -3.907 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -4.794 10.437 -2.173 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.170 10.530 -3.926 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.030 11.169 -3.057 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.131 12.541 -3.076 1.00 0.00 O ATOM 0 H TYR B 16 -1.638 5.580 -1.939 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.988 7.003 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.955 6.571 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.692 6.494 -3.418 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.294 8.500 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.413 8.650 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.468 10.938 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.570 11.104 -4.617 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.525 12.904 -3.755 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.255 4.876 -0.635 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.066 3.670 -0.550 1.00 0.00 C ATOM 1197 C ILE B 17 -7.544 4.039 -0.429 1.00 0.00 C ATOM 1198 O ILE B 17 -7.891 5.083 0.137 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.644 2.741 0.620 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -6.005 3.322 1.985 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.150 2.461 0.567 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.589 2.420 3.131 1.00 0.00 C ATOM 0 H ILE B 17 -5.505 5.607 0.031 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.902 3.110 -1.470 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.199 1.811 0.497 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.526 4.294 2.100 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.081 3.490 2.031 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.873 1.808 1.395 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.904 1.974 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.601 3.399 0.645 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.870 2.882 4.078 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.089 1.456 3.035 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.509 2.273 3.105 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.428 3.193 -0.986 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.879 3.437 -1.020 1.00 0.00 C ATOM 1216 C PRO B 18 -10.496 3.584 0.370 1.00 0.00 C ATOM 1217 O PRO B 18 -9.924 3.165 1.380 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.440 2.192 -1.721 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.368 1.166 -1.619 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.076 1.924 -1.640 1.00 0.00 C ATOM 0 HA PRO B 18 -10.109 4.374 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.358 1.851 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.684 2.403 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.467 0.587 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.421 0.461 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.289 1.396 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.716 2.080 -2.657 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.682 4.186 0.406 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.378 4.455 1.659 1.00 0.00 C ATOM 1230 C GLN B 19 -12.818 3.158 2.330 1.00 0.00 C ATOM 1231 O GLN B 19 -12.920 3.096 3.551 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.586 5.373 1.421 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.743 4.710 0.683 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.936 4.422 1.584 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -15.683 4.214 2.868 1.00 0.00 O flip ATOM 1236 NE2 GLN B 19 -17.076 4.391 1.128 1.00 0.00 N flip ATOM 0 H GLN B 19 -12.183 4.498 -0.426 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.683 4.963 2.327 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.946 5.737 2.383 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.259 6.244 0.852 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.061 5.354 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.396 3.777 0.239 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -17.232 4.556 0.134 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -17.867 4.200 1.744 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.101 2.137 1.524 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.445 0.815 2.044 1.00 0.00 C ATOM 1247 C GLU B 20 -12.298 0.236 2.873 1.00 0.00 C ATOM 1248 O GLU B 20 -12.519 -0.543 3.806 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.853 -0.121 0.904 1.00 0.00 C ATOM 1250 CG GLU B 20 -12.954 -0.031 -0.313 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.576 -0.658 -1.547 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -14.311 0.050 -2.269 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -13.341 -1.860 -1.795 1.00 0.00 O ATOM 0 H GLU B 20 -13.099 2.200 0.506 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.302 0.917 2.710 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.851 -1.147 1.271 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -14.876 0.109 0.606 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.728 1.016 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -12.007 -0.525 -0.097 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.080 0.676 2.572 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.916 0.275 3.345 1.00 0.00 C ATOM 1262 C TRP B 21 -9.863 1.079 4.625 1.00 0.00 C ATOM 1263 O TRP B 21 -9.631 0.536 5.690 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.627 0.515 2.570 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.260 -0.560 1.600 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.087 -1.257 0.770 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.939 -1.033 1.347 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.352 -2.142 0.014 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.029 -2.022 0.355 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.687 -0.714 1.874 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.906 -2.688 -0.129 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.581 -1.370 1.395 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.693 -2.346 0.406 1.00 0.00 C ATOM 0 H TRP B 21 -10.877 1.309 1.799 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.005 -0.790 3.559 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.717 1.456 2.028 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.810 0.634 3.282 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.158 -1.133 0.714 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.729 -2.782 -0.685 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.590 0.036 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -5.989 -3.444 -0.896 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.606 -1.126 1.791 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.802 -2.844 0.053 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.105 2.378 4.519 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.117 3.238 5.697 1.00 0.00 C ATOM 1286 C HIS B 22 -11.174 2.769 6.685 1.00 0.00 C ATOM 1287 O HIS B 22 -10.970 2.818 7.891 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.363 4.699 5.311 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.140 5.394 4.800 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.564 6.468 5.442 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.378 5.160 3.707 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.502 6.865 4.770 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.364 6.088 3.710 1.00 0.00 N ATOM 0 H HIS B 22 -10.294 2.857 3.639 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.138 3.173 6.171 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.140 4.739 4.548 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.741 5.238 6.180 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.907 6.891 6.305 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.537 4.388 2.969 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.854 7.686 5.040 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.294 2.299 6.160 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.376 1.781 6.986 1.00 0.00 C ATOM 1304 C ASP B 23 -12.901 0.584 7.818 1.00 0.00 C ATOM 1305 O ASP B 23 -12.888 0.631 9.052 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.552 1.368 6.095 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.838 1.171 6.872 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.917 0.223 7.674 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.787 1.958 6.665 1.00 0.00 O ATOM 0 H ASP B 23 -12.479 2.265 5.158 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.698 2.566 7.671 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.708 2.130 5.331 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.301 0.443 5.576 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.457 -0.468 7.131 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.096 -1.719 7.800 1.00 0.00 C ATOM 1316 C ARG B 24 -10.766 -1.605 8.538 1.00 0.00 C ATOM 1317 O ARG B 24 -10.658 -1.981 9.705 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.022 -2.879 6.793 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.364 -3.529 6.478 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.307 -2.586 5.751 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.609 -3.205 5.507 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.683 -2.550 5.068 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.608 -1.256 4.774 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.831 -3.198 4.904 1.00 0.00 N ATOM 0 H ARG B 24 -12.339 -0.480 6.118 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.879 -1.923 8.530 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.584 -2.511 5.865 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.347 -3.640 7.184 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.200 -4.417 5.867 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.830 -3.861 7.405 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.440 -1.679 6.340 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.862 -2.287 4.802 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.701 -4.205 5.685 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.724 -0.758 4.884 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.434 -0.761 4.438 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.889 -4.194 5.114 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.655 -2.699 4.568 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.764 -1.066 7.863 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.419 -0.976 8.417 1.00 0.00 C ATOM 1340 C LEU B 25 -8.379 -0.075 9.638 1.00 0.00 C ATOM 1341 O LEU B 25 -7.889 -0.477 10.688 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.430 -0.454 7.366 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.790 -1.514 6.459 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.999 -2.514 7.286 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -7.841 -2.233 5.626 1.00 0.00 C ATOM 0 H LEU B 25 -9.856 -0.681 6.923 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.128 -1.982 8.718 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.948 0.269 6.736 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.634 0.084 7.881 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.109 -1.004 5.778 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.552 -3.258 6.627 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.212 -1.993 7.832 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.665 -3.009 7.993 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -7.357 -2.978 4.994 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -8.554 -2.726 6.287 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -8.365 -1.511 5.000 1.00 0.00 H new ATOM 1357 N MET B 26 -8.890 1.141 9.502 1.00 0.00 N ATOM 1358 CA MET B 26 -8.824 2.110 10.587 1.00 0.00 C ATOM 1359 C MET B 26 -9.669 1.688 11.781 1.00 0.00 C ATOM 1360 O MET B 26 -9.351 2.045 12.912 1.00 0.00 O ATOM 1361 CB MET B 26 -9.214 3.506 10.107 1.00 0.00 C ATOM 1362 CG MET B 26 -8.201 4.108 9.148 1.00 0.00 C ATOM 1363 SD MET B 26 -8.731 5.694 8.466 1.00 0.00 S ATOM 1364 CE MET B 26 -8.952 6.657 9.963 1.00 0.00 C ATOM 0 H MET B 26 -9.352 1.478 8.657 1.00 0.00 H new ATOM 0 HA MET B 26 -7.787 2.144 10.920 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.186 3.457 9.616 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.325 4.163 10.970 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.252 4.241 9.667 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.022 3.409 8.331 1.00 0.00 H new ATOM 0 HE1 MET B 26 -8.980 7.717 9.713 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.888 6.372 10.444 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.122 6.467 10.644 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.739 0.932 11.551 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.512 0.413 12.669 1.00 0.00 C ATOM 1376 C GLU B 27 -10.685 -0.604 13.457 1.00 0.00 C ATOM 1377 O GLU B 27 -10.694 -0.605 14.690 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.832 -0.198 12.197 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.704 -0.695 13.338 1.00 0.00 C ATOM 1380 CD GLU B 27 -15.116 -1.019 12.905 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.326 -2.093 12.302 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -16.023 -0.206 13.179 1.00 0.00 O ATOM 0 H GLU B 27 -11.082 0.672 10.626 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.757 1.245 13.329 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.385 0.546 11.624 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.620 -1.028 11.522 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.250 -1.585 13.774 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.735 0.063 14.121 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.948 -1.448 12.744 1.00 0.00 N ATOM 1390 CA ILE B 28 -9.040 -2.392 13.387 1.00 0.00 C ATOM 1391 C ILE B 28 -7.908 -1.630 14.071 1.00 0.00 C ATOM 1392 O ILE B 28 -7.495 -1.953 15.187 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.445 -3.397 12.371 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.561 -4.213 11.710 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.442 -4.320 13.055 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -9.073 -5.129 10.605 1.00 0.00 C ATOM 0 H ILE B 28 -9.961 -1.499 11.725 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.612 -2.956 14.124 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.922 -2.835 11.597 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -10.061 -4.811 12.471 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.305 -3.530 11.301 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -7.034 -5.019 12.325 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.633 -3.727 13.480 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.941 -4.875 13.850 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.918 -5.674 10.184 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.599 -4.536 9.823 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -8.351 -5.837 11.012 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.436 -0.596 13.388 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.367 0.254 13.891 1.00 0.00 C ATOM 1410 C ALA B 29 -6.805 0.996 15.148 1.00 0.00 C ATOM 1411 O ALA B 29 -5.987 1.353 15.989 1.00 0.00 O ATOM 1412 CB ALA B 29 -5.929 1.233 12.812 1.00 0.00 C ATOM 0 H ALA B 29 -7.784 -0.323 12.469 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.519 -0.377 14.157 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.129 1.865 13.197 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.569 0.681 11.944 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.775 1.856 12.521 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.106 1.189 15.288 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.658 1.889 16.435 1.00 0.00 C ATOM 1420 C LYS B 30 -8.642 0.968 17.641 1.00 0.00 C ATOM 1421 O LYS B 30 -8.323 1.378 18.757 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.094 2.315 16.124 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.779 3.093 17.235 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.253 3.310 16.924 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.448 4.080 15.625 1.00 0.00 C ATOM 1426 NZ LYS B 30 -13.884 4.205 15.263 1.00 0.00 N ATOM 0 H LYS B 30 -8.803 0.868 14.616 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.059 2.774 16.651 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.090 2.925 15.221 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.684 1.425 15.905 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.679 2.553 18.177 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.286 4.056 17.366 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.756 2.345 16.854 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.721 3.855 17.744 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.011 5.074 15.723 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.914 3.575 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.973 4.736 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.296 3.257 15.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.390 4.710 16.019 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.972 -0.286 17.385 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.991 -1.313 18.412 1.00 0.00 C ATOM 1442 C GLU B 31 -7.588 -1.548 18.978 1.00 0.00 C ATOM 1443 O GLU B 31 -7.399 -1.623 20.191 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.541 -2.612 17.819 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.870 -3.664 18.857 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.934 -3.194 19.823 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -12.130 -3.246 19.467 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -10.580 -2.765 20.941 1.00 0.00 O ATOM 0 H GLU B 31 -9.235 -0.621 16.458 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.633 -0.981 19.228 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.440 -2.387 17.245 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.811 -3.020 17.120 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.209 -4.572 18.358 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -8.967 -3.922 19.410 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.604 -1.626 18.085 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.237 -1.987 18.466 1.00 0.00 C ATOM 1457 C LYS B 32 -4.381 -0.762 18.781 1.00 0.00 C ATOM 1458 O LYS B 32 -3.222 -0.891 19.175 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.567 -2.813 17.361 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.646 -4.319 17.575 1.00 0.00 C ATOM 1461 CD LYS B 32 -6.079 -4.822 17.651 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.126 -6.328 17.876 1.00 0.00 C ATOM 1463 NZ LYS B 32 -5.549 -7.087 16.731 1.00 0.00 N ATOM 0 H LYS B 32 -6.727 -1.444 17.089 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.312 -2.585 19.374 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -5.032 -2.568 16.406 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.519 -2.522 17.289 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.129 -4.826 16.760 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.123 -4.580 18.495 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.602 -4.315 18.461 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.603 -4.573 16.728 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.579 -6.575 18.786 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -7.159 -6.638 18.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.768 -8.098 16.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.959 -6.738 15.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.517 -6.956 16.712 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.961 0.421 18.593 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.268 1.687 18.838 1.00 0.00 C ATOM 1479 C ASN B 33 -3.090 1.868 17.887 1.00 0.00 C ATOM 1480 O ASN B 33 -1.981 2.219 18.292 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.810 1.795 20.297 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.951 2.143 21.229 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.637 1.266 21.755 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -5.156 3.430 21.443 1.00 0.00 N ATOM 0 H ASN B 33 -5.921 0.531 18.268 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.979 2.491 18.647 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.365 0.850 20.607 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.033 2.555 20.377 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -5.907 3.730 22.065 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -4.564 4.124 20.986 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.359 1.637 16.616 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.381 1.811 15.553 1.00 0.00 C ATOM 1493 C LEU B 34 -2.945 2.772 14.518 1.00 0.00 C ATOM 1494 O LEU B 34 -4.136 3.075 14.540 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.074 0.468 14.879 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.384 -0.577 15.756 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.367 -1.924 15.055 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.032 -0.139 16.094 1.00 0.00 C ATOM 0 H LEU B 34 -4.271 1.320 16.287 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.460 2.208 15.979 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.009 0.046 14.512 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.446 0.656 14.008 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.946 -0.674 16.685 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.873 -2.659 15.691 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.390 -2.244 14.858 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.826 -1.837 14.113 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.507 -0.895 16.719 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.604 -0.016 15.174 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.001 0.809 16.632 1.00 0.00 H new ATOM 1510 N THR B 35 -2.105 3.267 13.632 1.00 0.00 N ATOM 1511 CA THR B 35 -2.592 4.039 12.508 1.00 0.00 C ATOM 1512 C THR B 35 -2.531 3.185 11.253 1.00 0.00 C ATOM 1513 O THR B 35 -1.783 2.206 11.206 1.00 0.00 O ATOM 1514 CB THR B 35 -1.780 5.334 12.287 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.419 5.015 11.967 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.822 6.221 13.522 1.00 0.00 C ATOM 0 H THR B 35 -1.092 3.150 13.667 1.00 0.00 H new ATOM 0 HA THR B 35 -3.619 4.331 12.728 1.00 0.00 H new ATOM 0 HB THR B 35 -2.230 5.877 11.456 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.045 4.714 12.776 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.243 7.126 13.340 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.855 6.490 13.742 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.398 5.684 14.370 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.324 3.526 10.248 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.268 2.822 8.973 1.00 0.00 C ATOM 1526 C LEU B 36 -1.869 2.946 8.371 1.00 0.00 C ATOM 1527 O LEU B 36 -1.407 2.060 7.650 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.339 3.337 7.998 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.173 4.771 7.477 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.149 5.017 6.343 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.391 5.802 8.578 1.00 0.00 C ATOM 0 H LEU B 36 -4.010 4.280 10.288 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.479 1.768 9.153 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.367 2.666 7.140 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.309 3.265 8.491 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.150 4.880 7.118 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.029 6.036 5.975 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.952 4.313 5.534 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.168 4.879 6.704 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.265 6.804 8.168 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.399 5.698 8.979 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.665 5.642 9.375 1.00 0.00 H new ATOM 1543 N SER B 37 -1.202 4.048 8.696 1.00 0.00 N ATOM 1544 CA SER B 37 0.185 4.258 8.319 1.00 0.00 C ATOM 1545 C SER B 37 1.072 3.147 8.884 1.00 0.00 C ATOM 1546 O SER B 37 1.923 2.598 8.180 1.00 0.00 O ATOM 1547 CB SER B 37 0.647 5.617 8.839 1.00 0.00 C ATOM 1548 OG SER B 37 -0.243 6.643 8.431 1.00 0.00 O ATOM 0 H SER B 37 -1.609 4.818 9.227 1.00 0.00 H new ATOM 0 HA SER B 37 0.266 4.236 7.232 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.707 5.593 9.927 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.650 5.831 8.469 1.00 0.00 H new ATOM 0 HG SER B 37 0.270 7.398 8.073 1.00 0.00 H new ATOM 1554 N ASP B 38 0.851 2.808 10.156 1.00 0.00 N ATOM 1555 CA ASP B 38 1.615 1.747 10.810 1.00 0.00 C ATOM 1556 C ASP B 38 1.346 0.417 10.128 1.00 0.00 C ATOM 1557 O ASP B 38 2.263 -0.358 9.877 1.00 0.00 O ATOM 1558 CB ASP B 38 1.251 1.616 12.298 1.00 0.00 C ATOM 1559 CG ASP B 38 1.584 2.842 13.120 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.773 3.204 13.214 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.651 3.438 13.702 1.00 0.00 O ATOM 0 H ASP B 38 0.151 3.252 10.751 1.00 0.00 H new ATOM 0 HA ASP B 38 2.669 2.012 10.730 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.184 1.411 12.384 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.775 0.757 12.716 1.00 0.00 H new ATOM 1566 N VAL B 39 0.080 0.180 9.808 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.343 -1.073 9.197 1.00 0.00 C ATOM 1568 C VAL B 39 0.321 -1.270 7.838 1.00 0.00 C ATOM 1569 O VAL B 39 0.745 -2.372 7.513 1.00 0.00 O ATOM 1570 CB VAL B 39 -1.880 -1.130 9.031 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.311 -2.460 8.426 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.576 -0.904 10.366 1.00 0.00 C ATOM 0 H VAL B 39 -0.677 0.846 9.963 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.033 -1.876 9.866 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.174 -0.332 8.350 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.396 -2.477 8.319 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -1.848 -2.581 7.447 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -1.998 -3.275 9.079 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.656 -0.948 10.225 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.270 -1.677 11.071 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.301 0.075 10.758 1.00 0.00 H new ATOM 1582 N CYS B 40 0.442 -0.197 7.068 1.00 0.00 N ATOM 1583 CA CYS B 40 1.051 -0.270 5.747 1.00 0.00 C ATOM 1584 C CYS B 40 2.527 -0.694 5.866 1.00 0.00 C ATOM 1585 O CYS B 40 2.945 -1.704 5.294 1.00 0.00 O ATOM 1586 CB CYS B 40 0.904 1.088 5.038 1.00 0.00 C ATOM 1587 SG CYS B 40 0.257 0.981 3.359 1.00 0.00 S ATOM 0 H CYS B 40 0.126 0.735 7.336 1.00 0.00 H new ATOM 0 HA CYS B 40 0.541 -1.024 5.147 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.245 1.724 5.629 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.878 1.577 5.009 1.00 0.00 H new ATOM 0 HG CYS B 40 0.238 -0.262 2.980 1.00 0.00 H new ATOM 1593 N ARG B 41 3.300 0.089 6.614 1.00 0.00 N ATOM 1594 CA ARG B 41 4.691 -0.233 6.957 1.00 0.00 C ATOM 1595 C ARG B 41 4.838 -1.664 7.503 1.00 0.00 C ATOM 1596 O ARG B 41 5.639 -2.459 6.992 1.00 0.00 O ATOM 1597 CB ARG B 41 5.181 0.787 8.005 1.00 0.00 C ATOM 1598 CG ARG B 41 6.622 0.599 8.468 1.00 0.00 C ATOM 1599 CD ARG B 41 6.757 -0.467 9.546 1.00 0.00 C ATOM 1600 NE ARG B 41 8.152 -0.882 9.733 1.00 0.00 N ATOM 1601 CZ ARG B 41 8.764 -1.006 10.916 1.00 0.00 C ATOM 1602 NH1 ARG B 41 8.142 -0.690 12.049 1.00 0.00 N ATOM 1603 NH2 ARG B 41 10.020 -1.437 10.957 1.00 0.00 N ATOM 0 H ARG B 41 2.979 0.975 7.005 1.00 0.00 H new ATOM 0 HA ARG B 41 5.295 -0.177 6.051 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.077 1.789 7.590 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.526 0.733 8.875 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.241 0.327 7.614 1.00 0.00 H new ATOM 0 HG3 ARG B 41 7.004 1.546 8.849 1.00 0.00 H new ATOM 0 HD2 ARG B 41 6.363 -0.084 10.487 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.153 -1.334 9.277 1.00 0.00 H new ATOM 0 HE ARG B 41 8.697 -1.092 8.897 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.182 -0.346 12.025 1.00 0.00 H new ATOM 0 HH12 ARG B 41 8.625 -0.791 12.942 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.508 -1.670 10.092 1.00 0.00 H new ATOM 0 HH22 ARG B 41 10.496 -1.535 11.854 1.00 0.00 H new ATOM 1617 N LEU B 42 4.070 -1.988 8.535 1.00 0.00 N ATOM 1618 CA LEU B 42 4.200 -3.282 9.204 1.00 0.00 C ATOM 1619 C LEU B 42 3.820 -4.410 8.262 1.00 0.00 C ATOM 1620 O LEU B 42 4.327 -5.528 8.370 1.00 0.00 O ATOM 1621 CB LEU B 42 3.325 -3.337 10.459 1.00 0.00 C ATOM 1622 CG LEU B 42 3.702 -2.342 11.557 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.700 -2.404 12.698 1.00 0.00 C ATOM 1624 CD2 LEU B 42 5.107 -2.618 12.070 1.00 0.00 C ATOM 0 H LEU B 42 3.353 -1.378 8.928 1.00 0.00 H new ATOM 0 HA LEU B 42 5.242 -3.403 9.499 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.289 -3.159 10.169 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.372 -4.345 10.872 1.00 0.00 H new ATOM 0 HG LEU B 42 3.681 -1.339 11.132 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.984 -1.689 13.471 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.706 -2.158 12.323 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.690 -3.409 13.119 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.357 -1.900 12.851 1.00 0.00 H new ATOM 0 HD22 LEU B 42 5.154 -3.628 12.478 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.819 -2.525 11.250 1.00 0.00 H new ATOM 1636 N ALA B 43 2.941 -4.106 7.327 1.00 0.00 N ATOM 1637 CA ALA B 43 2.517 -5.084 6.353 1.00 0.00 C ATOM 1638 C ALA B 43 3.607 -5.341 5.324 1.00 0.00 C ATOM 1639 O ALA B 43 3.633 -6.396 4.702 1.00 0.00 O ATOM 1640 CB ALA B 43 1.227 -4.653 5.680 1.00 0.00 C ATOM 0 H ALA B 43 2.508 -3.188 7.224 1.00 0.00 H new ATOM 0 HA ALA B 43 2.328 -6.020 6.879 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.928 -5.406 4.951 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.444 -4.544 6.430 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.381 -3.700 5.175 1.00 0.00 H new ATOM 1646 N ILE B 44 4.510 -4.378 5.134 1.00 0.00 N ATOM 1647 CA ILE B 44 5.644 -4.598 4.244 1.00 0.00 C ATOM 1648 C ILE B 44 6.596 -5.589 4.890 1.00 0.00 C ATOM 1649 O ILE B 44 7.242 -6.385 4.208 1.00 0.00 O ATOM 1650 CB ILE B 44 6.428 -3.314 3.893 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.502 -2.217 3.379 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.485 -3.624 2.841 1.00 0.00 C ATOM 1653 CD1 ILE B 44 6.240 -0.976 2.910 1.00 0.00 C ATOM 0 H ILE B 44 4.479 -3.459 5.575 1.00 0.00 H new ATOM 0 HA ILE B 44 5.232 -4.979 3.310 1.00 0.00 H new ATOM 0 HB ILE B 44 6.907 -2.955 4.804 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.907 -2.610 2.555 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.806 -1.939 4.170 1.00 0.00 H new ATOM 0 HG21 ILE B 44 8.034 -2.714 2.598 1.00 0.00 H new ATOM 0 HG22 ILE B 44 8.176 -4.372 3.229 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.002 -4.007 1.942 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.521 -0.237 2.558 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.813 -0.559 3.738 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.917 -1.240 2.097 1.00 0.00 H new ATOM 1665 N LYS B 45 6.690 -5.532 6.215 1.00 0.00 N ATOM 1666 CA LYS B 45 7.469 -6.524 6.942 1.00 0.00 C ATOM 1667 C LYS B 45 6.908 -7.921 6.682 1.00 0.00 C ATOM 1668 O LYS B 45 7.658 -8.873 6.471 1.00 0.00 O ATOM 1669 CB LYS B 45 7.492 -6.244 8.444 1.00 0.00 C ATOM 1670 CG LYS B 45 8.368 -7.226 9.209 1.00 0.00 C ATOM 1671 CD LYS B 45 8.326 -6.988 10.707 1.00 0.00 C ATOM 1672 CE LYS B 45 9.227 -7.970 11.441 1.00 0.00 C ATOM 1673 NZ LYS B 45 8.820 -9.386 11.210 1.00 0.00 N ATOM 0 H LYS B 45 6.245 -4.823 6.797 1.00 0.00 H new ATOM 0 HA LYS B 45 8.495 -6.466 6.579 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.854 -5.230 8.615 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.475 -6.290 8.834 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.041 -8.244 8.996 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.397 -7.141 8.858 1.00 0.00 H new ATOM 0 HD2 LYS B 45 8.640 -5.967 10.926 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.302 -7.090 11.066 1.00 0.00 H new ATOM 0 HE2 LYS B 45 10.257 -7.831 11.113 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.201 -7.756 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 9.296 -10.001 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 7.790 -9.474 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.090 -9.672 10.247 1.00 0.00 H new ATOM 1687 N GLU B 46 5.580 -8.024 6.681 1.00 0.00 N ATOM 1688 CA GLU B 46 4.899 -9.276 6.366 1.00 0.00 C ATOM 1689 C GLU B 46 5.126 -9.617 4.905 1.00 0.00 C ATOM 1690 O GLU B 46 5.278 -10.771 4.542 1.00 0.00 O ATOM 1691 CB GLU B 46 3.398 -9.142 6.650 1.00 0.00 C ATOM 1692 CG GLU B 46 2.538 -10.274 6.087 1.00 0.00 C ATOM 1693 CD GLU B 46 2.619 -11.566 6.884 1.00 0.00 C ATOM 1694 OE1 GLU B 46 3.581 -12.333 6.692 1.00 0.00 O ATOM 1695 OE2 GLU B 46 1.689 -11.832 7.676 1.00 0.00 O ATOM 0 H GLU B 46 4.952 -7.250 6.896 1.00 0.00 H new ATOM 0 HA GLU B 46 5.301 -10.075 6.989 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.249 -9.093 7.729 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.047 -8.197 6.236 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.499 -9.945 6.052 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.844 -10.473 5.060 1.00 0.00 H new ATOM 1702 N TYR B 47 5.184 -8.589 4.078 1.00 0.00 N ATOM 1703 CA TYR B 47 5.402 -8.759 2.655 1.00 0.00 C ATOM 1704 C TYR B 47 6.740 -9.458 2.420 1.00 0.00 C ATOM 1705 O TYR B 47 6.850 -10.360 1.586 1.00 0.00 O ATOM 1706 CB TYR B 47 5.378 -7.387 1.969 1.00 0.00 C ATOM 1707 CG TYR B 47 5.434 -7.429 0.460 1.00 0.00 C ATOM 1708 CD1 TYR B 47 4.273 -7.558 -0.288 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.641 -7.318 -0.217 1.00 0.00 C ATOM 1710 CE1 TYR B 47 4.310 -7.578 -1.667 1.00 0.00 C ATOM 1711 CE2 TYR B 47 6.689 -7.341 -1.598 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.521 -7.469 -2.318 1.00 0.00 C ATOM 1713 OH TYR B 47 5.561 -7.482 -3.695 1.00 0.00 O ATOM 0 H TYR B 47 5.082 -7.618 4.373 1.00 0.00 H new ATOM 0 HA TYR B 47 4.611 -9.377 2.231 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.471 -6.862 2.270 1.00 0.00 H new ATOM 0 HB3 TYR B 47 6.221 -6.800 2.333 1.00 0.00 H new ATOM 0 HD1 TYR B 47 3.323 -7.644 0.218 1.00 0.00 H new ATOM 0 HD2 TYR B 47 7.557 -7.212 0.345 1.00 0.00 H new ATOM 0 HE1 TYR B 47 3.396 -7.678 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR B 47 7.636 -7.259 -2.110 1.00 0.00 H new ATOM 0 HH TYR B 47 6.490 -7.395 -3.996 1.00 0.00 H new ATOM 1723 N LEU B 48 7.746 -9.045 3.181 1.00 0.00 N ATOM 1724 CA LEU B 48 9.064 -9.662 3.121 1.00 0.00 C ATOM 1725 C LEU B 48 9.032 -11.075 3.703 1.00 0.00 C ATOM 1726 O LEU B 48 9.338 -12.046 3.014 1.00 0.00 O ATOM 1727 CB LEU B 48 10.088 -8.813 3.881 1.00 0.00 C ATOM 1728 CG LEU B 48 10.235 -7.371 3.392 1.00 0.00 C ATOM 1729 CD1 LEU B 48 11.271 -6.633 4.226 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.611 -7.341 1.916 1.00 0.00 C ATOM 0 H LEU B 48 7.672 -8.280 3.851 1.00 0.00 H new ATOM 0 HA LEU B 48 9.358 -9.723 2.073 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.810 -8.795 4.935 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.060 -9.302 3.816 1.00 0.00 H new ATOM 0 HG LEU B 48 9.276 -6.866 3.508 1.00 0.00 H new ATOM 0 HD11 LEU B 48 11.365 -5.608 3.866 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.958 -6.624 5.270 1.00 0.00 H new ATOM 0 HD13 LEU B 48 12.234 -7.137 4.140 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.711 -6.307 1.587 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.558 -7.861 1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.833 -7.834 1.332 1.00 0.00 H new ATOM 1742 N ASP B 49 8.629 -11.174 4.968 1.00 0.00 N ATOM 1743 CA ASP B 49 8.647 -12.443 5.702 1.00 0.00 C ATOM 1744 C ASP B 49 7.783 -13.516 5.041 1.00 0.00 C ATOM 1745 O ASP B 49 8.071 -14.708 5.153 1.00 0.00 O ATOM 1746 CB ASP B 49 8.179 -12.230 7.148 1.00 0.00 C ATOM 1747 CG ASP B 49 9.313 -11.860 8.085 1.00 0.00 C ATOM 1748 OD1 ASP B 49 10.310 -12.614 8.137 1.00 0.00 O ATOM 1749 OD2 ASP B 49 9.209 -10.830 8.793 1.00 0.00 O ATOM 0 H ASP B 49 8.283 -10.384 5.512 1.00 0.00 H new ATOM 0 HA ASP B 49 9.678 -12.796 5.692 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.425 -11.443 7.169 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.699 -13.140 7.507 1.00 0.00 H new ATOM 1754 N ASN B 50 6.730 -13.094 4.361 1.00 0.00 N ATOM 1755 CA ASN B 50 5.782 -14.023 3.757 1.00 0.00 C ATOM 1756 C ASN B 50 6.306 -14.562 2.430 1.00 0.00 C ATOM 1757 O ASN B 50 6.054 -15.710 2.074 1.00 0.00 O ATOM 1758 CB ASN B 50 4.434 -13.323 3.561 1.00 0.00 C ATOM 1759 CG ASN B 50 3.267 -14.279 3.418 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.355 -15.316 2.762 1.00 0.00 O ATOM 1761 ND2 ASN B 50 2.167 -13.943 4.066 1.00 0.00 N ATOM 0 H ASN B 50 6.507 -12.110 4.212 1.00 0.00 H new ATOM 0 HA ASN B 50 5.652 -14.873 4.427 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.250 -12.663 4.409 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.487 -12.693 2.673 1.00 0.00 H new ATOM 0 HD21 ASN B 50 1.350 -14.552 4.034 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.134 -13.074 4.599 1.00 0.00 H new ATOM 1768 N HIS B 51 7.058 -13.742 1.706 1.00 0.00 N ATOM 1769 CA HIS B 51 7.593 -14.161 0.413 1.00 0.00 C ATOM 1770 C HIS B 51 8.988 -14.757 0.560 1.00 0.00 C ATOM 1771 O HIS B 51 9.517 -15.354 -0.374 1.00 0.00 O ATOM 1772 CB HIS B 51 7.623 -12.999 -0.585 1.00 0.00 C ATOM 1773 CG HIS B 51 6.278 -12.650 -1.148 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.709 -13.321 -2.212 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.391 -11.689 -0.799 1.00 0.00 C ATOM 1776 CE1 HIS B 51 4.536 -12.787 -2.490 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.321 -11.798 -1.650 1.00 0.00 N ATOM 0 H HIS B 51 7.310 -12.794 1.986 1.00 0.00 H new ATOM 0 HA HIS B 51 6.925 -14.930 0.025 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.040 -12.120 -0.093 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.295 -13.254 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.505 -10.971 -0.000 1.00 0.00 H new ATOM 0 HE1 HIS B 51 3.866 -13.107 -3.274 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.490 -11.206 -1.634 1.00 0.00 H new ATOM 1786 N ASP B 52 9.572 -14.602 1.739 1.00 0.00 N ATOM 1787 CA ASP B 52 10.898 -15.141 2.016 1.00 0.00 C ATOM 1788 C ASP B 52 10.933 -15.724 3.423 1.00 0.00 C ATOM 1789 O ASP B 52 11.123 -15.004 4.406 1.00 0.00 O ATOM 1790 CB ASP B 52 11.957 -14.048 1.856 1.00 0.00 C ATOM 1791 CG ASP B 52 13.376 -14.567 1.986 1.00 0.00 C ATOM 1792 OD1 ASP B 52 13.691 -15.623 1.395 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.196 -13.895 2.644 1.00 0.00 O ATOM 0 H ASP B 52 9.148 -14.106 2.523 1.00 0.00 H new ATOM 0 HA ASP B 52 11.118 -15.936 1.303 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.838 -13.576 0.881 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.789 -13.276 2.607 1.00 0.00 H new ATOM 1798 N LYS B 53 10.733 -17.031 3.505 1.00 0.00 N ATOM 1799 CA LYS B 53 10.578 -17.714 4.784 1.00 0.00 C ATOM 1800 C LYS B 53 11.929 -18.107 5.373 1.00 0.00 C ATOM 1801 O LYS B 53 12.178 -17.886 6.563 1.00 0.00 O ATOM 1802 CB LYS B 53 9.721 -18.966 4.599 1.00 0.00 C ATOM 1803 CG LYS B 53 8.674 -19.166 5.684 1.00 0.00 C ATOM 1804 CD LYS B 53 7.633 -18.055 5.671 1.00 0.00 C ATOM 1805 CE LYS B 53 6.962 -17.924 4.309 1.00 0.00 C ATOM 1806 NZ LYS B 53 6.296 -19.185 3.886 1.00 0.00 N ATOM 0 H LYS B 53 10.674 -17.646 2.693 1.00 0.00 H new ATOM 0 HA LYS B 53 10.091 -17.027 5.475 1.00 0.00 H new ATOM 0 HB2 LYS B 53 9.221 -18.912 3.632 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.373 -19.839 4.572 1.00 0.00 H new ATOM 0 HG2 LYS B 53 8.182 -20.128 5.542 1.00 0.00 H new ATOM 0 HG3 LYS B 53 9.161 -19.198 6.659 1.00 0.00 H new ATOM 0 HD2 LYS B 53 6.877 -18.256 6.431 1.00 0.00 H new ATOM 0 HD3 LYS B 53 8.107 -17.110 5.935 1.00 0.00 H new ATOM 0 HE2 LYS B 53 6.226 -17.121 4.344 1.00 0.00 H new ATOM 0 HE3 LYS B 53 7.707 -17.641 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 5.728 -19.008 3.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 7.017 -19.906 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 5.677 -19.524 4.650 1.00 0.00 H new ATOM 1820 N GLN B 54 12.787 -18.697 4.535 1.00 0.00 N ATOM 1821 CA GLN B 54 14.104 -19.176 4.961 1.00 0.00 C ATOM 1822 C GLN B 54 13.981 -20.226 6.069 1.00 0.00 C ATOM 1823 O GLN B 54 12.925 -20.841 6.255 1.00 0.00 O ATOM 1824 CB GLN B 54 14.963 -18.013 5.475 1.00 0.00 C ATOM 1825 CG GLN B 54 15.174 -16.881 4.483 1.00 0.00 C ATOM 1826 CD GLN B 54 16.033 -15.780 5.069 1.00 0.00 C ATOM 1827 OE1 GLN B 54 16.906 -16.035 5.905 1.00 0.00 O ATOM 1828 NE2 GLN B 54 15.791 -14.551 4.653 1.00 0.00 N ATOM 0 H GLN B 54 12.589 -18.855 3.547 1.00 0.00 H new ATOM 0 HA GLN B 54 14.580 -19.629 4.091 1.00 0.00 H new ATOM 0 HB2 GLN B 54 14.497 -17.607 6.373 1.00 0.00 H new ATOM 0 HB3 GLN B 54 15.937 -18.403 5.770 1.00 0.00 H new ATOM 0 HG2 GLN B 54 15.646 -17.270 3.581 1.00 0.00 H new ATOM 0 HG3 GLN B 54 14.208 -16.471 4.187 1.00 0.00 H new ATOM 0 HE21 GLN B 54 15.061 -14.381 3.961 1.00 0.00 H new ATOM 0 HE22 GLN B 54 16.334 -13.771 5.024 1.00 0.00 H new ATOM 1837 N LYS B 55 15.093 -20.436 6.773 1.00 0.00 N ATOM 1838 CA LYS B 55 15.133 -21.227 7.999 1.00 0.00 C ATOM 1839 C LYS B 55 15.000 -22.717 7.722 1.00 0.00 C ATOM 1840 O LYS B 55 14.010 -23.352 8.099 1.00 0.00 O ATOM 1841 CB LYS B 55 14.066 -20.762 8.996 1.00 0.00 C ATOM 1842 CG LYS B 55 14.154 -19.280 9.328 1.00 0.00 C ATOM 1843 CD LYS B 55 13.344 -18.928 10.562 1.00 0.00 C ATOM 1844 CE LYS B 55 13.902 -19.606 11.802 1.00 0.00 C ATOM 1845 NZ LYS B 55 15.317 -19.222 12.058 1.00 0.00 N ATOM 0 H LYS B 55 16.001 -20.057 6.504 1.00 0.00 H new ATOM 0 HA LYS B 55 16.113 -21.065 8.448 1.00 0.00 H new ATOM 0 HB2 LYS B 55 13.079 -20.977 8.587 1.00 0.00 H new ATOM 0 HB3 LYS B 55 14.163 -21.339 9.916 1.00 0.00 H new ATOM 0 HG2 LYS B 55 15.197 -19.005 9.487 1.00 0.00 H new ATOM 0 HG3 LYS B 55 13.796 -18.696 8.480 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.346 -17.847 10.704 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.307 -19.229 10.416 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.292 -19.341 12.666 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.835 -20.688 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 15.575 -19.476 13.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.939 -19.725 11.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.427 -18.196 11.927 1.00 0.00 H new ATOM 1859 N LYS B 56 16.006 -23.264 7.060 1.00 0.00 N ATOM 1860 CA LYS B 56 16.103 -24.698 6.846 1.00 0.00 C ATOM 1861 C LYS B 56 17.533 -25.144 7.100 1.00 0.00 C ATOM 1862 O LYS B 56 17.796 -25.724 8.171 1.00 0.00 O ATOM 1863 CB LYS B 56 15.688 -25.086 5.423 1.00 0.00 C ATOM 1864 CG LYS B 56 14.227 -24.823 5.107 1.00 0.00 C ATOM 1865 CD LYS B 56 13.839 -25.420 3.765 1.00 0.00 C ATOM 1866 CE LYS B 56 14.656 -24.825 2.628 1.00 0.00 C ATOM 1867 NZ LYS B 56 14.363 -25.485 1.330 1.00 0.00 N ATOM 1868 OXT LYS B 56 18.398 -24.864 6.244 1.00 0.00 O ATOM 0 H LYS B 56 16.775 -22.729 6.657 1.00 0.00 H new ATOM 0 HA LYS B 56 15.423 -25.194 7.538 1.00 0.00 H new ATOM 0 HB2 LYS B 56 16.306 -24.536 4.714 1.00 0.00 H new ATOM 0 HB3 LYS B 56 15.896 -26.145 5.272 1.00 0.00 H new ATOM 0 HG2 LYS B 56 13.600 -25.247 5.892 1.00 0.00 H new ATOM 0 HG3 LYS B 56 14.042 -23.749 5.097 1.00 0.00 H new ATOM 0 HD2 LYS B 56 13.984 -26.500 3.791 1.00 0.00 H new ATOM 0 HD3 LYS B 56 12.779 -25.245 3.582 1.00 0.00 H new ATOM 0 HE2 LYS B 56 14.445 -23.759 2.549 1.00 0.00 H new ATOM 0 HE3 LYS B 56 15.718 -24.924 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 14.940 -25.051 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 14.589 -26.498 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 13.355 -25.369 1.101 1.00 0.00 H new TER 1882 LYS B 56