USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 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 Set 1.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0.247 K(o=0.25,f=-1.7) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.84) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0243 (180deg=-0.207) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.081) USER MOD Single : A 22 HIS : no HD1:sc= -8.22! C(o=-8.2!,f=-11!) USER MOD Single : A 26 MET CE :methyl -164:sc= -0.0472 (180deg=-0.371) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0258) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.11) USER MOD Single : A 33 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.84) USER MOD Single : A 35 THR OG1 : rot -78:sc= 1.2 USER MOD Single : A 37 SER OG : rot -138:sc= 1.12 USER MOD Single : A 40 CYS SG : rot 54:sc= 1.01 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc=-0.00113 (180deg=-0.0602) USER MOD Single : A 50 ASN : amide:sc= -1.28! X(o=-1.3!,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.0415 (180deg=-0.332) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 1.1 (180deg=-1.01) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.0498 (180deg=-0.411) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : B 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.063) USER MOD Single : B 22 HIS : no HD1:sc= -2.86 X(o=-2.9,f=-2.9!) USER MOD Single : B 26 MET CE :methyl -161:sc= -0.0971 (180deg=-0.539) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -155:sc= 0.853 (180deg=-0.162) USER MOD Single : B 33 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.78) USER MOD Single : B 35 THR OG1 : rot -86:sc= 1.17 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 CYS SG : rot -3:sc= -14.4! USER MOD Single : B 45 LYS NZ :NH3+ 171:sc= -0.0359 (180deg=-0.19) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 0.104 K(o=0.1,f=-0.5) USER MOD Single : B 51 HIS : no HD1:sc= -1.96! K(o=-2!,f=0.62) USER MOD Single : B 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0521) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 169:sc=-0.00396 (180deg=-0.124) USER MOD Single : B 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0407) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -17.018 13.456 -11.803 1.00 0.00 N ATOM 2 CA GLY A 2 -16.927 14.681 -10.973 1.00 0.00 C ATOM 3 C GLY A 2 -16.544 14.361 -9.545 1.00 0.00 C ATOM 4 O GLY A 2 -15.450 13.856 -9.289 1.00 0.00 O ATOM 0 HA2 GLY A 2 -16.191 15.359 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.885 15.201 -10.985 1.00 0.00 H new ATOM 10 N ARG A 3 -17.443 14.643 -8.614 1.00 0.00 N ATOM 11 CA ARG A 3 -17.212 14.327 -7.213 1.00 0.00 C ATOM 12 C ARG A 3 -17.898 13.010 -6.865 1.00 0.00 C ATOM 13 O ARG A 3 -19.125 12.925 -6.879 1.00 0.00 O ATOM 14 CB ARG A 3 -17.740 15.450 -6.320 1.00 0.00 C ATOM 15 CG ARG A 3 -17.456 15.234 -4.841 1.00 0.00 C ATOM 16 CD ARG A 3 -18.207 16.235 -3.981 1.00 0.00 C ATOM 17 NE ARG A 3 -19.654 16.077 -4.108 1.00 0.00 N ATOM 18 CZ ARG A 3 -20.550 16.689 -3.337 1.00 0.00 C ATOM 19 NH1 ARG A 3 -20.161 17.532 -2.385 1.00 0.00 N ATOM 20 NH2 ARG A 3 -21.842 16.461 -3.529 1.00 0.00 N ATOM 0 H ARG A 3 -18.340 15.090 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.140 14.228 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.293 16.393 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.816 15.543 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.743 14.221 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.385 15.325 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.917 16.109 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.925 17.247 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.001 15.455 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.168 17.715 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.856 17.996 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.143 15.820 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.535 16.926 -2.942 1.00 0.00 H new ATOM 34 N PRO A 4 -17.117 11.970 -6.550 1.00 0.00 N ATOM 35 CA PRO A 4 -17.651 10.635 -6.290 1.00 0.00 C ATOM 36 C PRO A 4 -18.323 10.507 -4.920 1.00 0.00 C ATOM 37 O PRO A 4 -17.671 10.196 -3.921 1.00 0.00 O ATOM 38 CB PRO A 4 -16.421 9.733 -6.378 1.00 0.00 C ATOM 39 CG PRO A 4 -15.260 10.611 -6.052 1.00 0.00 C ATOM 40 CD PRO A 4 -15.649 12.018 -6.429 1.00 0.00 C ATOM 0 HA PRO A 4 -18.438 10.377 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -16.493 8.901 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.320 9.303 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.017 10.550 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.373 10.296 -6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -15.336 12.734 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -15.182 12.322 -7.366 1.00 0.00 H new ATOM 48 N TYR A 5 -19.635 10.744 -4.901 1.00 0.00 N ATOM 49 CA TYR A 5 -20.479 10.578 -3.708 1.00 0.00 C ATOM 50 C TYR A 5 -20.144 11.583 -2.599 1.00 0.00 C ATOM 51 O TYR A 5 -20.935 12.485 -2.312 1.00 0.00 O ATOM 52 CB TYR A 5 -20.384 9.144 -3.165 1.00 0.00 C ATOM 53 CG TYR A 5 -20.758 8.085 -4.176 1.00 0.00 C ATOM 54 CD1 TYR A 5 -22.084 7.729 -4.383 1.00 0.00 C ATOM 55 CD2 TYR A 5 -19.781 7.445 -4.928 1.00 0.00 C ATOM 56 CE1 TYR A 5 -22.424 6.765 -5.311 1.00 0.00 C ATOM 57 CE2 TYR A 5 -20.114 6.481 -5.856 1.00 0.00 C ATOM 58 CZ TYR A 5 -21.436 6.146 -6.044 1.00 0.00 C ATOM 59 OH TYR A 5 -21.770 5.189 -6.973 1.00 0.00 O ATOM 0 H TYR A 5 -20.152 11.061 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 5 -21.503 10.776 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -19.366 8.962 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -21.035 9.050 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -22.861 8.213 -3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -18.743 7.707 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -23.460 6.498 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.342 5.992 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.956 4.853 -7.403 1.00 0.00 H new ATOM 69 N LYS A 6 -18.976 11.435 -1.990 1.00 0.00 N ATOM 70 CA LYS A 6 -18.618 12.224 -0.818 1.00 0.00 C ATOM 71 C LYS A 6 -17.131 12.582 -0.820 1.00 0.00 C ATOM 72 O LYS A 6 -16.774 13.749 -0.973 1.00 0.00 O ATOM 73 CB LYS A 6 -19.010 11.467 0.459 1.00 0.00 C ATOM 74 CG LYS A 6 -18.664 9.984 0.428 1.00 0.00 C ATOM 75 CD LYS A 6 -19.353 9.214 1.545 1.00 0.00 C ATOM 76 CE LYS A 6 -18.877 9.655 2.918 1.00 0.00 C ATOM 77 NZ LYS A 6 -19.574 8.918 4.002 1.00 0.00 N ATOM 0 H LYS A 6 -18.258 10.775 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.171 13.163 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.511 11.929 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.082 11.577 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.955 9.564 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.584 9.862 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.431 9.357 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.163 8.148 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.802 9.493 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.048 10.725 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.224 9.245 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.597 9.093 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.390 7.899 3.903 1.00 0.00 H new ATOM 91 N LEU A 7 -16.270 11.587 -0.650 1.00 0.00 N ATOM 92 CA LEU A 7 -14.831 11.806 -0.705 1.00 0.00 C ATOM 93 C LEU A 7 -14.307 11.453 -2.090 1.00 0.00 C ATOM 94 O LEU A 7 -15.024 10.868 -2.898 1.00 0.00 O ATOM 95 CB LEU A 7 -14.115 10.983 0.369 1.00 0.00 C ATOM 96 CG LEU A 7 -14.412 11.385 1.818 1.00 0.00 C ATOM 97 CD1 LEU A 7 -13.577 10.554 2.777 1.00 0.00 C ATOM 98 CD2 LEU A 7 -14.149 12.871 2.035 1.00 0.00 C ATOM 0 H LEU A 7 -16.543 10.620 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.629 12.859 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.385 9.935 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.040 11.058 0.203 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.467 11.195 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.798 10.850 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.814 9.498 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.519 10.716 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.367 13.132 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.104 13.091 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.788 13.454 1.372 1.00 0.00 H new ATOM 110 N LEU A 8 -13.054 11.790 -2.359 1.00 0.00 N ATOM 111 CA LEU A 8 -12.502 11.654 -3.701 1.00 0.00 C ATOM 112 C LEU A 8 -11.894 10.271 -3.922 1.00 0.00 C ATOM 113 O LEU A 8 -10.811 10.155 -4.499 1.00 0.00 O ATOM 114 CB LEU A 8 -11.444 12.736 -3.942 1.00 0.00 C ATOM 115 CG LEU A 8 -11.934 14.175 -3.767 1.00 0.00 C ATOM 116 CD1 LEU A 8 -10.787 15.151 -3.962 1.00 0.00 C ATOM 117 CD2 LEU A 8 -13.062 14.480 -4.741 1.00 0.00 C ATOM 0 H LEU A 8 -12.401 12.159 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.318 11.776 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.612 12.567 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.054 12.622 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.318 14.287 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.151 16.170 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.008 14.949 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.377 15.035 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.396 15.508 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.705 14.351 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.894 13.800 -4.559 1.00 0.00 H new ATOM 129 N ASN A 9 -12.611 9.237 -3.469 1.00 0.00 N ATOM 130 CA ASN A 9 -12.201 7.831 -3.619 1.00 0.00 C ATOM 131 C ASN A 9 -10.925 7.516 -2.839 1.00 0.00 C ATOM 132 O ASN A 9 -10.965 6.814 -1.827 1.00 0.00 O ATOM 133 CB ASN A 9 -12.012 7.461 -5.093 1.00 0.00 C ATOM 134 CG ASN A 9 -13.315 7.439 -5.865 1.00 0.00 C ATOM 135 OD1 ASN A 9 -14.367 7.100 -5.324 1.00 0.00 O ATOM 136 ND2 ASN A 9 -13.253 7.810 -7.134 1.00 0.00 N ATOM 0 H ASN A 9 -13.501 9.350 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.008 7.228 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.332 8.175 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.539 6.481 -5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.099 7.822 -7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.359 8.083 -7.542 1.00 0.00 H new ATOM 143 N GLY A 10 -9.806 8.053 -3.299 1.00 0.00 N ATOM 144 CA GLY A 10 -8.537 7.795 -2.665 1.00 0.00 C ATOM 145 C GLY A 10 -8.166 8.913 -1.727 1.00 0.00 C ATOM 146 O GLY A 10 -8.190 10.089 -2.100 1.00 0.00 O ATOM 0 H GLY A 10 -9.758 8.670 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.585 6.855 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.763 7.681 -3.424 1.00 0.00 H new ATOM 150 N ILE A 11 -7.826 8.546 -0.507 1.00 0.00 N ATOM 151 CA ILE A 11 -7.587 9.519 0.544 1.00 0.00 C ATOM 152 C ILE A 11 -6.125 9.462 0.956 1.00 0.00 C ATOM 153 O ILE A 11 -5.504 8.396 0.901 1.00 0.00 O ATOM 154 CB ILE A 11 -8.487 9.258 1.778 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.917 8.914 1.353 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.495 10.467 2.706 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.609 10.011 0.577 1.00 0.00 C ATOM 0 H ILE A 11 -7.708 7.575 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.831 10.508 0.156 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.072 8.406 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.897 8.010 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.504 8.686 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.133 10.262 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.480 10.670 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.878 11.335 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.617 9.690 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.664 10.911 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.046 10.224 -0.332 1.00 0.00 H new ATOM 169 N LYS A 12 -5.588 10.590 1.399 1.00 0.00 N ATOM 170 CA LYS A 12 -4.154 10.726 1.595 1.00 0.00 C ATOM 171 C LYS A 12 -3.782 10.556 3.057 1.00 0.00 C ATOM 172 O LYS A 12 -4.407 11.135 3.950 1.00 0.00 O ATOM 173 CB LYS A 12 -3.691 12.100 1.101 1.00 0.00 C ATOM 174 CG LYS A 12 -2.183 12.257 1.027 1.00 0.00 C ATOM 175 CD LYS A 12 -1.560 11.230 0.099 1.00 0.00 C ATOM 176 CE LYS A 12 -0.099 11.541 -0.164 1.00 0.00 C ATOM 177 NZ LYS A 12 0.073 12.760 -0.999 1.00 0.00 N ATOM 0 H LYS A 12 -6.126 11.425 1.630 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.657 9.943 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.113 12.280 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.093 12.867 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.938 13.260 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.756 12.153 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.649 10.237 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.106 11.211 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.419 11.677 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.368 10.692 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.041 12.787 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.607 12.741 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.094 13.606 -0.417 1.00 0.00 H new ATOM 191 N LEU A 13 -2.772 9.736 3.279 1.00 0.00 N ATOM 192 CA LEU A 13 -2.253 9.474 4.607 1.00 0.00 C ATOM 193 C LEU A 13 -0.746 9.652 4.614 1.00 0.00 C ATOM 194 O LEU A 13 -0.072 9.334 3.627 1.00 0.00 O ATOM 195 CB LEU A 13 -2.615 8.056 5.052 1.00 0.00 C ATOM 196 CG LEU A 13 -2.384 6.961 4.004 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.018 5.646 4.672 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.632 6.782 3.146 1.00 0.00 C ATOM 0 H LEU A 13 -2.286 9.230 2.538 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.701 10.181 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.034 7.813 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.665 8.041 5.343 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.555 7.267 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.858 4.883 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.105 5.775 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.828 5.336 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.456 6.002 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.472 6.497 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.862 7.719 2.638 1.00 0.00 H new ATOM 210 N GLY A 14 -0.224 10.149 5.721 1.00 0.00 N ATOM 211 CA GLY A 14 1.191 10.410 5.817 1.00 0.00 C ATOM 212 C GLY A 14 1.907 9.343 6.610 1.00 0.00 C ATOM 213 O GLY A 14 1.571 9.088 7.767 1.00 0.00 O ATOM 0 H GLY A 14 -0.759 10.377 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.619 10.467 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.350 11.380 6.287 1.00 0.00 H new ATOM 217 N VAL A 15 2.882 8.708 5.985 1.00 0.00 N ATOM 218 CA VAL A 15 3.622 7.628 6.616 1.00 0.00 C ATOM 219 C VAL A 15 5.073 8.048 6.833 1.00 0.00 C ATOM 220 O VAL A 15 5.612 8.867 6.082 1.00 0.00 O ATOM 221 CB VAL A 15 3.582 6.340 5.756 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.074 5.139 6.549 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.182 6.087 5.214 1.00 0.00 C ATOM 0 H VAL A 15 3.182 8.923 5.034 1.00 0.00 H new ATOM 0 HA VAL A 15 3.151 7.416 7.576 1.00 0.00 H new ATOM 0 HB VAL A 15 4.252 6.486 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.036 4.248 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.101 5.312 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.439 4.995 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.183 5.177 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.485 5.973 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.874 6.929 4.595 1.00 0.00 H new ATOM 233 N TYR A 16 5.696 7.500 7.861 1.00 0.00 N ATOM 234 CA TYR A 16 7.101 7.753 8.128 1.00 0.00 C ATOM 235 C TYR A 16 7.817 6.447 8.412 1.00 0.00 C ATOM 236 O TYR A 16 7.495 5.753 9.376 1.00 0.00 O ATOM 237 CB TYR A 16 7.273 8.702 9.311 1.00 0.00 C ATOM 238 CG TYR A 16 7.751 10.073 8.909 1.00 0.00 C ATOM 239 CD1 TYR A 16 9.007 10.244 8.352 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.953 11.193 9.086 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.457 11.491 7.978 1.00 0.00 C ATOM 242 CE2 TYR A 16 7.396 12.445 8.714 1.00 0.00 C ATOM 243 CZ TYR A 16 8.649 12.590 8.163 1.00 0.00 C ATOM 244 OH TYR A 16 9.089 13.839 7.789 1.00 0.00 O ATOM 0 H TYR A 16 5.248 6.873 8.529 1.00 0.00 H new ATOM 0 HA TYR A 16 7.535 8.222 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.322 8.795 9.835 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.983 8.269 10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.645 9.385 8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.971 11.083 9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.438 11.606 7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.762 13.308 8.854 1.00 0.00 H new ATOM 0 HH TYR A 16 8.396 14.503 7.988 1.00 0.00 H new ATOM 254 N ILE A 17 8.783 6.109 7.565 1.00 0.00 N ATOM 255 CA ILE A 17 9.494 4.839 7.698 1.00 0.00 C ATOM 256 C ILE A 17 10.991 5.031 7.459 1.00 0.00 C ATOM 257 O ILE A 17 11.396 6.006 6.818 1.00 0.00 O ATOM 258 CB ILE A 17 8.933 3.757 6.741 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.053 4.196 5.279 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.481 3.439 7.086 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.540 3.170 4.291 1.00 0.00 C ATOM 0 H ILE A 17 9.091 6.690 6.785 1.00 0.00 H new ATOM 0 HA ILE A 17 9.339 4.489 8.719 1.00 0.00 H new ATOM 0 HB ILE A 17 9.528 2.853 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.502 5.126 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.099 4.409 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.103 2.677 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.423 3.070 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.878 4.342 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.658 3.551 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.107 2.245 4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.485 2.974 4.485 1.00 0.00 H new ATOM 273 N PRO A 18 11.831 4.096 7.948 1.00 0.00 N ATOM 274 CA PRO A 18 13.292 4.263 7.967 1.00 0.00 C ATOM 275 C PRO A 18 13.910 4.363 6.576 1.00 0.00 C ATOM 276 O PRO A 18 13.298 3.980 5.572 1.00 0.00 O ATOM 277 CB PRO A 18 13.791 3.000 8.675 1.00 0.00 C ATOM 278 CG PRO A 18 12.703 2.004 8.492 1.00 0.00 C ATOM 279 CD PRO A 18 11.426 2.790 8.501 1.00 0.00 C ATOM 0 HA PRO A 18 13.572 5.194 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.727 2.647 8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.981 3.188 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.822 1.462 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.712 1.263 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.657 2.316 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.020 2.887 9.508 1.00 0.00 H new ATOM 287 N GLN A 19 15.135 4.874 6.523 1.00 0.00 N ATOM 288 CA GLN A 19 15.844 5.029 5.261 1.00 0.00 C ATOM 289 C GLN A 19 16.122 3.665 4.632 1.00 0.00 C ATOM 290 O GLN A 19 16.079 3.522 3.412 1.00 0.00 O ATOM 291 CB GLN A 19 17.148 5.818 5.461 1.00 0.00 C ATOM 292 CG GLN A 19 18.197 5.110 6.319 1.00 0.00 C ATOM 293 CD GLN A 19 19.369 4.555 5.514 1.00 0.00 C ATOM 294 OE1 GLN A 19 20.493 4.468 6.014 1.00 0.00 O ATOM 295 NE2 GLN A 19 19.121 4.172 4.269 1.00 0.00 N ATOM 0 H GLN A 19 15.657 5.188 7.341 1.00 0.00 H new ATOM 0 HA GLN A 19 15.211 5.596 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.581 6.031 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.910 6.777 5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.577 5.809 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.720 4.294 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.179 4.258 3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.872 3.791 3.693 1.00 0.00 H new ATOM 304 N GLU A 20 16.405 2.674 5.476 1.00 0.00 N ATOM 305 CA GLU A 20 16.654 1.308 5.016 1.00 0.00 C ATOM 306 C GLU A 20 15.445 0.744 4.288 1.00 0.00 C ATOM 307 O GLU A 20 15.581 -0.041 3.353 1.00 0.00 O ATOM 308 CB GLU A 20 17.033 0.410 6.193 1.00 0.00 C ATOM 309 CG GLU A 20 18.437 0.668 6.709 1.00 0.00 C ATOM 310 CD GLU A 20 19.500 0.274 5.703 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.665 0.983 4.690 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.168 -0.760 5.913 1.00 0.00 O ATOM 0 H GLU A 20 16.468 2.792 6.487 1.00 0.00 H new ATOM 0 HA GLU A 20 17.487 1.337 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.320 0.563 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.950 -0.633 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.544 1.725 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.590 0.111 7.633 1.00 0.00 H new ATOM 319 N TRP A 21 14.266 1.194 4.685 1.00 0.00 N ATOM 320 CA TRP A 21 13.039 0.733 4.072 1.00 0.00 C ATOM 321 C TRP A 21 12.838 1.439 2.748 1.00 0.00 C ATOM 322 O TRP A 21 12.532 0.806 1.746 1.00 0.00 O ATOM 323 CB TRP A 21 11.857 1.019 4.990 1.00 0.00 C ATOM 324 CG TRP A 21 11.359 -0.168 5.754 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.062 -1.260 6.175 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.022 -0.358 6.196 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.225 -2.121 6.853 1.00 0.00 N ATOM 328 CE2 TRP A 21 9.965 -1.584 6.876 1.00 0.00 C ATOM 329 CE3 TRP A 21 8.869 0.400 6.073 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.779 -2.062 7.435 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.705 -0.066 6.621 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.661 -1.282 7.295 1.00 0.00 C ATOM 0 H TRP A 21 14.136 1.879 5.430 1.00 0.00 H new ATOM 0 HA TRP A 21 13.106 -0.342 3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.144 1.796 5.698 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.038 1.419 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.115 -1.425 6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.499 -3.011 7.269 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.889 1.346 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.744 -3.007 7.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.803 0.521 6.528 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.726 -1.619 7.717 1.00 0.00 H new ATOM 343 N HIS A 22 13.048 2.752 2.740 1.00 0.00 N ATOM 344 CA HIS A 22 12.941 3.528 1.510 1.00 0.00 C ATOM 345 C HIS A 22 13.917 3.006 0.461 1.00 0.00 C ATOM 346 O HIS A 22 13.546 2.826 -0.693 1.00 0.00 O ATOM 347 CB HIS A 22 13.200 5.016 1.763 1.00 0.00 C ATOM 348 CG HIS A 22 12.036 5.742 2.361 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.166 6.510 1.617 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.609 5.831 3.641 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.255 7.037 2.410 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.500 6.642 3.646 1.00 0.00 N ATOM 0 H HIS A 22 13.292 3.298 3.566 1.00 0.00 H new ATOM 0 HA HIS A 22 11.922 3.416 1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.059 5.117 2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.468 5.493 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 22 12.057 5.353 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.446 7.682 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.955 6.897 4.470 1.00 0.00 H new ATOM 361 N ASP A 23 15.152 2.745 0.879 1.00 0.00 N ATOM 362 CA ASP A 23 16.186 2.261 -0.032 1.00 0.00 C ATOM 363 C ASP A 23 15.772 0.956 -0.717 1.00 0.00 C ATOM 364 O ASP A 23 15.795 0.863 -1.944 1.00 0.00 O ATOM 365 CB ASP A 23 17.502 2.056 0.718 1.00 0.00 C ATOM 366 CG ASP A 23 18.577 1.442 -0.158 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.257 2.192 -0.890 1.00 0.00 O ATOM 368 OD2 ASP A 23 18.746 0.210 -0.113 1.00 0.00 O ATOM 0 H ASP A 23 15.462 2.861 1.844 1.00 0.00 H new ATOM 0 HA ASP A 23 16.322 3.019 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.852 3.015 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.329 1.413 1.581 1.00 0.00 H new ATOM 373 N ARG A 24 15.358 -0.034 0.073 1.00 0.00 N ATOM 374 CA ARG A 24 15.050 -1.357 -0.473 1.00 0.00 C ATOM 375 C ARG A 24 13.703 -1.352 -1.187 1.00 0.00 C ATOM 376 O ARG A 24 13.558 -1.956 -2.250 1.00 0.00 O ATOM 377 CB ARG A 24 15.023 -2.421 0.631 1.00 0.00 C ATOM 378 CG ARG A 24 16.193 -2.378 1.602 1.00 0.00 C ATOM 379 CD ARG A 24 17.543 -2.596 0.930 1.00 0.00 C ATOM 380 NE ARG A 24 18.577 -2.888 1.927 1.00 0.00 N ATOM 381 CZ ARG A 24 19.159 -1.973 2.714 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.011 -0.673 2.475 1.00 0.00 N ATOM 383 NH2 ARG A 24 19.941 -2.367 3.710 1.00 0.00 N ATOM 0 H ARG A 24 15.229 0.052 1.081 1.00 0.00 H new ATOM 0 HA ARG A 24 15.838 -1.600 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.098 -2.311 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.995 -3.405 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.199 -1.414 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.049 -3.140 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.472 -3.420 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.819 -1.708 0.361 1.00 0.00 H new ATOM 0 HE ARG A 24 18.875 -3.858 2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.448 -0.361 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.460 0.012 3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.097 -3.362 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.387 -1.675 4.313 1.00 0.00 H new ATOM 397 N LEU A 25 12.726 -0.663 -0.610 1.00 0.00 N ATOM 398 CA LEU A 25 11.391 -0.605 -1.192 1.00 0.00 C ATOM 399 C LEU A 25 11.419 0.101 -2.536 1.00 0.00 C ATOM 400 O LEU A 25 10.884 -0.409 -3.515 1.00 0.00 O ATOM 401 CB LEU A 25 10.407 0.091 -0.246 1.00 0.00 C ATOM 402 CG LEU A 25 9.976 -0.735 0.968 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.028 0.068 1.844 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.322 -2.038 0.526 1.00 0.00 C ATOM 0 H LEU A 25 12.833 -0.138 0.258 1.00 0.00 H new ATOM 0 HA LEU A 25 11.051 -1.629 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.861 1.017 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.517 0.367 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 25 10.863 -0.980 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.730 -0.533 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.529 0.972 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.144 0.341 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.023 -2.611 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.443 -1.817 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.031 -2.620 -0.062 1.00 0.00 H new ATOM 416 N MET A 26 12.052 1.268 -2.590 1.00 0.00 N ATOM 417 CA MET A 26 12.173 2.006 -3.843 1.00 0.00 C ATOM 418 C MET A 26 13.040 1.253 -4.845 1.00 0.00 C ATOM 419 O MET A 26 12.901 1.430 -6.052 1.00 0.00 O ATOM 420 CB MET A 26 12.728 3.411 -3.607 1.00 0.00 C ATOM 421 CG MET A 26 11.818 4.287 -2.759 1.00 0.00 C ATOM 422 SD MET A 26 10.191 4.544 -3.499 1.00 0.00 S ATOM 423 CE MET A 26 10.628 5.463 -4.974 1.00 0.00 C ATOM 0 H MET A 26 12.487 1.721 -1.786 1.00 0.00 H new ATOM 0 HA MET A 26 11.171 2.101 -4.262 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.700 3.332 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.892 3.895 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.696 3.830 -1.777 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.296 5.254 -2.603 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.737 5.937 -5.385 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.363 6.228 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.051 4.784 -5.714 1.00 0.00 H new ATOM 433 N GLU A 27 13.933 0.414 -4.341 1.00 0.00 N ATOM 434 CA GLU A 27 14.776 -0.406 -5.196 1.00 0.00 C ATOM 435 C GLU A 27 13.924 -1.442 -5.922 1.00 0.00 C ATOM 436 O GLU A 27 14.018 -1.608 -7.142 1.00 0.00 O ATOM 437 CB GLU A 27 15.860 -1.082 -4.360 1.00 0.00 C ATOM 438 CG GLU A 27 16.937 -1.766 -5.175 1.00 0.00 C ATOM 439 CD GLU A 27 18.065 -2.265 -4.304 1.00 0.00 C ATOM 440 OE1 GLU A 27 19.025 -1.497 -4.075 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.994 -3.420 -3.842 1.00 0.00 O ATOM 0 H GLU A 27 14.092 0.284 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 27 15.260 0.225 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.326 -0.335 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.392 -1.818 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.503 -2.602 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.330 -1.070 -5.916 1.00 0.00 H new ATOM 448 N ILE A 28 13.070 -2.118 -5.163 1.00 0.00 N ATOM 449 CA ILE A 28 12.089 -3.031 -5.746 1.00 0.00 C ATOM 450 C ILE A 28 11.150 -2.244 -6.658 1.00 0.00 C ATOM 451 O ILE A 28 10.750 -2.708 -7.729 1.00 0.00 O ATOM 452 CB ILE A 28 11.255 -3.745 -4.654 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.163 -4.521 -3.693 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.226 -4.677 -5.282 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.917 -5.663 -4.345 1.00 0.00 C ATOM 0 H ILE A 28 13.035 -2.053 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 28 12.628 -3.790 -6.313 1.00 0.00 H new ATOM 0 HB ILE A 28 10.725 -2.982 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.881 -3.831 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.558 -4.917 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.652 -5.168 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.553 -4.101 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.736 -5.430 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.537 -6.162 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.207 -6.376 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.551 -5.273 -5.142 1.00 0.00 H new ATOM 467 N ALA A 29 10.828 -1.033 -6.221 1.00 0.00 N ATOM 468 CA ALA A 29 9.969 -0.124 -6.968 1.00 0.00 C ATOM 469 C ALA A 29 10.601 0.293 -8.295 1.00 0.00 C ATOM 470 O ALA A 29 9.910 0.754 -9.203 1.00 0.00 O ATOM 471 CB ALA A 29 9.648 1.095 -6.124 1.00 0.00 C ATOM 0 H ALA A 29 11.157 -0.652 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 29 9.045 -0.652 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.005 1.770 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.135 0.783 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.572 1.609 -5.861 1.00 0.00 H new ATOM 477 N LYS A 30 11.912 0.128 -8.408 1.00 0.00 N ATOM 478 CA LYS A 30 12.607 0.429 -9.650 1.00 0.00 C ATOM 479 C LYS A 30 12.441 -0.721 -10.624 1.00 0.00 C ATOM 480 O LYS A 30 12.140 -0.514 -11.800 1.00 0.00 O ATOM 481 CB LYS A 30 14.098 0.673 -9.399 1.00 0.00 C ATOM 482 CG LYS A 30 14.415 2.012 -8.752 1.00 0.00 C ATOM 483 CD LYS A 30 15.907 2.160 -8.500 1.00 0.00 C ATOM 484 CE LYS A 30 16.258 3.528 -7.933 1.00 0.00 C ATOM 485 NZ LYS A 30 15.667 3.756 -6.588 1.00 0.00 N ATOM 0 H LYS A 30 12.513 -0.211 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 30 12.173 1.335 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.482 -0.124 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.629 0.607 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.070 2.821 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.874 2.101 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.236 1.385 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.449 2.004 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.342 3.625 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.907 4.302 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.004 4.665 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.630 3.776 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.953 2.988 -5.948 1.00 0.00 H new ATOM 499 N GLU A 31 12.634 -1.932 -10.121 1.00 0.00 N ATOM 500 CA GLU A 31 12.486 -3.132 -10.934 1.00 0.00 C ATOM 501 C GLU A 31 11.056 -3.282 -11.451 1.00 0.00 C ATOM 502 O GLU A 31 10.834 -3.579 -12.623 1.00 0.00 O ATOM 503 CB GLU A 31 12.834 -4.385 -10.132 1.00 0.00 C ATOM 504 CG GLU A 31 14.241 -4.419 -9.566 1.00 0.00 C ATOM 505 CD GLU A 31 14.514 -5.725 -8.852 1.00 0.00 C ATOM 506 OE1 GLU A 31 13.634 -6.178 -8.087 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.591 -6.319 -9.067 1.00 0.00 O ATOM 0 H GLU A 31 12.894 -2.110 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 31 13.171 -3.025 -11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.126 -4.478 -9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.696 -5.257 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.963 -4.284 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.377 -3.588 -8.874 1.00 0.00 H new ATOM 514 N LYS A 32 10.090 -3.085 -10.557 1.00 0.00 N ATOM 515 CA LYS A 32 8.688 -3.385 -10.855 1.00 0.00 C ATOM 516 C LYS A 32 7.917 -2.154 -11.337 1.00 0.00 C ATOM 517 O LYS A 32 6.770 -2.271 -11.775 1.00 0.00 O ATOM 518 CB LYS A 32 7.991 -3.982 -9.620 1.00 0.00 C ATOM 519 CG LYS A 32 8.287 -5.463 -9.362 1.00 0.00 C ATOM 520 CD LYS A 32 9.770 -5.731 -9.152 1.00 0.00 C ATOM 521 CE LYS A 32 10.043 -7.190 -8.813 1.00 0.00 C ATOM 522 NZ LYS A 32 11.483 -7.535 -8.973 1.00 0.00 N ATOM 0 H LYS A 32 10.251 -2.719 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 32 8.687 -4.114 -11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.288 -3.409 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.914 -3.857 -9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.733 -5.794 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.930 -6.054 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.319 -5.459 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.143 -5.096 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.733 -7.389 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.442 -7.832 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.667 -8.465 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.722 -7.566 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.067 -6.815 -8.501 1.00 0.00 H new ATOM 536 N ASN A 33 8.565 -0.988 -11.267 1.00 0.00 N ATOM 537 CA ASN A 33 7.950 0.294 -11.640 1.00 0.00 C ATOM 538 C ASN A 33 6.764 0.616 -10.729 1.00 0.00 C ATOM 539 O ASN A 33 5.604 0.597 -11.146 1.00 0.00 O ATOM 540 CB ASN A 33 7.516 0.304 -13.112 1.00 0.00 C ATOM 541 CG ASN A 33 7.035 1.672 -13.562 1.00 0.00 C ATOM 542 OD1 ASN A 33 7.500 2.699 -13.068 1.00 0.00 O ATOM 543 ND2 ASN A 33 6.102 1.696 -14.498 1.00 0.00 N ATOM 0 H ASN A 33 9.531 -0.903 -10.950 1.00 0.00 H new ATOM 0 HA ASN A 33 8.706 1.068 -11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.353 -0.008 -13.737 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.719 -0.425 -13.258 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.742 2.588 -14.836 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.742 0.822 -14.882 1.00 0.00 H new ATOM 550 N LEU A 34 7.077 0.898 -9.476 1.00 0.00 N ATOM 551 CA LEU A 34 6.079 1.201 -8.459 1.00 0.00 C ATOM 552 C LEU A 34 6.570 2.337 -7.579 1.00 0.00 C ATOM 553 O LEU A 34 7.725 2.746 -7.681 1.00 0.00 O ATOM 554 CB LEU A 34 5.810 -0.030 -7.589 1.00 0.00 C ATOM 555 CG LEU A 34 5.093 -1.185 -8.287 1.00 0.00 C ATOM 556 CD1 LEU A 34 5.037 -2.404 -7.381 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.689 -0.766 -8.693 1.00 0.00 C ATOM 0 H LEU A 34 8.037 0.924 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 34 5.155 1.494 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.762 -0.396 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.215 0.277 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 34 5.654 -1.447 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.523 -3.216 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.050 -2.717 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.498 -2.154 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.190 -1.598 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.124 -0.481 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.745 0.082 -9.376 1.00 0.00 H new ATOM 569 N THR A 35 5.691 2.886 -6.761 1.00 0.00 N ATOM 570 CA THR A 35 6.130 3.745 -5.676 1.00 0.00 C ATOM 571 C THR A 35 6.011 2.962 -4.378 1.00 0.00 C ATOM 572 O THR A 35 5.196 2.042 -4.301 1.00 0.00 O ATOM 573 CB THR A 35 5.318 5.056 -5.575 1.00 0.00 C ATOM 574 OG1 THR A 35 3.955 4.777 -5.234 1.00 0.00 O ATOM 575 CG2 THR A 35 5.367 5.831 -6.881 1.00 0.00 C ATOM 0 H THR A 35 4.681 2.755 -6.825 1.00 0.00 H new ATOM 0 HA THR A 35 7.161 4.039 -5.871 1.00 0.00 H new ATOM 0 HB THR A 35 5.768 5.665 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.477 4.460 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.787 6.749 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.402 6.079 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.947 5.222 -7.682 1.00 0.00 H new ATOM 583 N LEU A 36 6.814 3.283 -3.374 1.00 0.00 N ATOM 584 CA LEU A 36 6.754 2.548 -2.113 1.00 0.00 C ATOM 585 C LEU A 36 5.346 2.620 -1.524 1.00 0.00 C ATOM 586 O LEU A 36 4.865 1.665 -0.915 1.00 0.00 O ATOM 587 CB LEU A 36 7.788 3.067 -1.106 1.00 0.00 C ATOM 588 CG LEU A 36 7.495 4.423 -0.450 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.487 4.674 0.669 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.555 5.562 -1.460 1.00 0.00 C ATOM 0 H LEU A 36 7.504 4.033 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 36 6.996 1.506 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.896 2.324 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.751 3.136 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 36 6.483 4.389 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.276 5.638 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.400 3.885 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.499 4.680 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.342 6.506 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.550 5.603 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.816 5.393 -2.243 1.00 0.00 H new ATOM 602 N SER A 37 4.690 3.753 -1.746 1.00 0.00 N ATOM 603 CA SER A 37 3.312 3.959 -1.323 1.00 0.00 C ATOM 604 C SER A 37 2.390 2.878 -1.893 1.00 0.00 C ATOM 605 O SER A 37 1.543 2.331 -1.179 1.00 0.00 O ATOM 606 CB SER A 37 2.857 5.344 -1.775 1.00 0.00 C ATOM 607 OG SER A 37 3.847 6.314 -1.473 1.00 0.00 O ATOM 0 H SER A 37 5.100 4.555 -2.225 1.00 0.00 H new ATOM 0 HA SER A 37 3.260 3.891 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.661 5.337 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.921 5.605 -1.281 1.00 0.00 H new ATOM 0 HG SER A 37 3.417 7.120 -1.118 1.00 0.00 H new ATOM 613 N ASP A 38 2.581 2.552 -3.173 1.00 0.00 N ATOM 614 CA ASP A 38 1.801 1.497 -3.817 1.00 0.00 C ATOM 615 C ASP A 38 2.079 0.175 -3.133 1.00 0.00 C ATOM 616 O ASP A 38 1.172 -0.620 -2.899 1.00 0.00 O ATOM 617 CB ASP A 38 2.153 1.361 -5.307 1.00 0.00 C ATOM 618 CG ASP A 38 1.830 2.591 -6.123 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.659 3.023 -6.121 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.752 3.126 -6.780 1.00 0.00 O ATOM 0 H ASP A 38 3.266 3.002 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 38 0.748 1.764 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.217 1.142 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.615 0.509 -5.722 1.00 0.00 H new ATOM 625 N VAL A 39 3.344 -0.030 -2.786 1.00 0.00 N ATOM 626 CA VAL A 39 3.787 -1.279 -2.193 1.00 0.00 C ATOM 627 C VAL A 39 3.124 -1.515 -0.838 1.00 0.00 C ATOM 628 O VAL A 39 2.804 -2.644 -0.509 1.00 0.00 O ATOM 629 CB VAL A 39 5.326 -1.316 -2.030 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.786 -2.668 -1.500 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.015 -0.998 -3.349 1.00 0.00 C ATOM 0 H VAL A 39 4.084 0.661 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 39 3.489 -2.075 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 39 5.605 -0.553 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.871 -2.668 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.327 -2.853 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.490 -3.452 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.096 -1.029 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.723 -1.733 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.720 -0.003 -3.683 1.00 0.00 H new ATOM 641 N CYS A 40 2.903 -0.456 -0.062 1.00 0.00 N ATOM 642 CA CYS A 40 2.282 -0.603 1.257 1.00 0.00 C ATOM 643 C CYS A 40 0.807 -0.998 1.109 1.00 0.00 C ATOM 644 O CYS A 40 0.343 -1.961 1.716 1.00 0.00 O ATOM 645 CB CYS A 40 2.420 0.693 2.072 1.00 0.00 C ATOM 646 SG CYS A 40 4.009 1.539 1.882 1.00 0.00 S ATOM 0 H CYS A 40 3.140 0.503 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 40 2.800 -1.396 1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.623 1.376 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.271 0.461 3.127 1.00 0.00 H new ATOM 0 HG CYS A 40 4.239 1.752 0.620 1.00 0.00 H new ATOM 652 N ARG A 41 0.086 -0.235 0.298 1.00 0.00 N ATOM 653 CA ARG A 41 -1.276 -0.567 -0.114 1.00 0.00 C ATOM 654 C ARG A 41 -1.371 -2.020 -0.611 1.00 0.00 C ATOM 655 O ARG A 41 -2.255 -2.779 -0.191 1.00 0.00 O ATOM 656 CB ARG A 41 -1.686 0.439 -1.208 1.00 0.00 C ATOM 657 CG ARG A 41 -3.009 0.169 -1.913 1.00 0.00 C ATOM 658 CD ARG A 41 -2.847 -0.808 -3.064 1.00 0.00 C ATOM 659 NE ARG A 41 -4.031 -0.856 -3.915 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.736 -1.959 -4.148 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.426 -3.095 -3.532 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.759 -1.930 -4.991 1.00 0.00 N ATOM 0 H ARG A 41 0.431 0.640 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.958 -0.494 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.734 1.431 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.897 0.467 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.728 -0.229 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.419 1.107 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.982 -0.522 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.645 -1.803 -2.668 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.337 0.010 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.644 -3.123 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.970 -3.939 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.007 -1.060 -5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.298 -2.778 -5.168 1.00 0.00 H new ATOM 676 N LEU A 42 -0.451 -2.412 -1.485 1.00 0.00 N ATOM 677 CA LEU A 42 -0.432 -3.775 -2.016 1.00 0.00 C ATOM 678 C LEU A 42 -0.074 -4.768 -0.919 1.00 0.00 C ATOM 679 O LEU A 42 -0.529 -5.910 -0.924 1.00 0.00 O ATOM 680 CB LEU A 42 0.571 -3.891 -3.164 1.00 0.00 C ATOM 681 CG LEU A 42 0.276 -3.012 -4.381 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.402 -3.111 -5.395 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.048 -3.406 -5.018 1.00 0.00 C ATOM 0 H LEU A 42 0.291 -1.809 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.428 -4.006 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.562 -3.639 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.609 -4.931 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 42 0.202 -1.977 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.175 -2.479 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.334 -2.780 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.506 -4.145 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.240 -2.769 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.002 -4.447 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.852 -3.284 -4.292 1.00 0.00 H new ATOM 695 N ALA A 43 0.722 -4.311 0.034 1.00 0.00 N ATOM 696 CA ALA A 43 1.160 -5.142 1.135 1.00 0.00 C ATOM 697 C ALA A 43 0.015 -5.421 2.091 1.00 0.00 C ATOM 698 O ALA A 43 -0.045 -6.487 2.688 1.00 0.00 O ATOM 699 CB ALA A 43 2.311 -4.489 1.869 1.00 0.00 C ATOM 0 H ALA A 43 1.080 -3.356 0.063 1.00 0.00 H new ATOM 0 HA ALA A 43 1.503 -6.092 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.627 -5.129 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.145 -4.344 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.992 -3.523 2.261 1.00 0.00 H new ATOM 705 N ILE A 44 -0.896 -4.459 2.232 1.00 0.00 N ATOM 706 CA ILE A 44 -2.066 -4.651 3.075 1.00 0.00 C ATOM 707 C ILE A 44 -2.937 -5.738 2.479 1.00 0.00 C ATOM 708 O ILE A 44 -3.477 -6.581 3.194 1.00 0.00 O ATOM 709 CB ILE A 44 -2.889 -3.351 3.247 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.071 -2.304 4.010 1.00 0.00 C ATOM 711 CG2 ILE A 44 -4.200 -3.633 3.975 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.852 -1.055 4.366 1.00 0.00 C ATOM 0 H ILE A 44 -0.844 -3.548 1.776 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.718 -4.943 4.066 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.125 -2.960 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.687 -2.754 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.208 -2.022 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.762 -2.706 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.789 -4.348 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.987 -4.047 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.205 -0.362 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.214 -0.580 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.700 -1.323 4.996 1.00 0.00 H new ATOM 724 N LYS A 45 -3.043 -5.728 1.157 1.00 0.00 N ATOM 725 CA LYS A 45 -3.778 -6.764 0.449 1.00 0.00 C ATOM 726 C LYS A 45 -3.224 -8.151 0.782 1.00 0.00 C ATOM 727 O LYS A 45 -3.980 -9.068 1.102 1.00 0.00 O ATOM 728 CB LYS A 45 -3.725 -6.523 -1.063 1.00 0.00 C ATOM 729 CG LYS A 45 -4.239 -7.696 -1.883 1.00 0.00 C ATOM 730 CD LYS A 45 -4.160 -7.412 -3.374 1.00 0.00 C ATOM 731 CE LYS A 45 -4.428 -8.666 -4.194 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.731 -9.297 -3.855 1.00 0.00 N ATOM 0 H LYS A 45 -2.630 -5.015 0.556 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.817 -6.722 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.313 -5.637 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.696 -6.310 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.656 -8.587 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.272 -7.909 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.884 -6.641 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.173 -7.019 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.415 -8.413 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.625 -9.384 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.947 -10.041 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.678 -9.715 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.481 -8.577 -3.875 1.00 0.00 H new ATOM 746 N GLU A 46 -1.902 -8.288 0.730 1.00 0.00 N ATOM 747 CA GLU A 46 -1.262 -9.567 0.998 1.00 0.00 C ATOM 748 C GLU A 46 -1.370 -9.891 2.485 1.00 0.00 C ATOM 749 O GLU A 46 -1.586 -11.037 2.871 1.00 0.00 O ATOM 750 CB GLU A 46 0.206 -9.538 0.548 1.00 0.00 C ATOM 751 CG GLU A 46 0.892 -10.899 0.593 1.00 0.00 C ATOM 752 CD GLU A 46 2.261 -10.897 -0.066 1.00 0.00 C ATOM 753 OE1 GLU A 46 2.328 -10.807 -1.312 1.00 0.00 O ATOM 754 OE2 GLU A 46 3.276 -11.020 0.648 1.00 0.00 O ATOM 0 H GLU A 46 -1.257 -7.530 0.505 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.769 -10.348 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.257 -9.150 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.757 -8.843 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.996 -11.213 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.258 -11.635 0.099 1.00 0.00 H new ATOM 761 N TYR A 47 -1.271 -8.852 3.305 1.00 0.00 N ATOM 762 CA TYR A 47 -1.341 -8.993 4.749 1.00 0.00 C ATOM 763 C TYR A 47 -2.703 -9.544 5.167 1.00 0.00 C ATOM 764 O TYR A 47 -2.794 -10.445 6.006 1.00 0.00 O ATOM 765 CB TYR A 47 -1.081 -7.637 5.422 1.00 0.00 C ATOM 766 CG TYR A 47 -1.060 -7.695 6.931 1.00 0.00 C ATOM 767 CD1 TYR A 47 0.097 -8.050 7.611 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.195 -7.400 7.674 1.00 0.00 C ATOM 769 CE1 TYR A 47 0.120 -8.115 8.990 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.181 -7.466 9.052 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.022 -7.822 9.706 1.00 0.00 C ATOM 772 OH TYR A 47 -1.013 -7.903 11.081 1.00 0.00 O ATOM 0 H TYR A 47 -1.140 -7.892 2.986 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.574 -9.698 5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.127 -7.245 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.851 -6.933 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.993 -8.279 7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.104 -7.114 7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.027 -8.394 9.505 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.074 -7.240 9.615 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.897 -7.663 11.429 1.00 0.00 H new ATOM 782 N LEU A 48 -3.760 -9.009 4.565 1.00 0.00 N ATOM 783 CA LEU A 48 -5.110 -9.479 4.841 1.00 0.00 C ATOM 784 C LEU A 48 -5.266 -10.918 4.379 1.00 0.00 C ATOM 785 O LEU A 48 -5.922 -11.731 5.031 1.00 0.00 O ATOM 786 CB LEU A 48 -6.149 -8.599 4.134 1.00 0.00 C ATOM 787 CG LEU A 48 -6.113 -7.109 4.488 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.194 -6.355 3.725 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.279 -6.909 5.985 1.00 0.00 C ATOM 0 H LEU A 48 -3.707 -8.251 3.884 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.276 -9.422 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.011 -8.701 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.142 -8.984 4.366 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.141 -6.710 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.155 -5.298 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.030 -6.469 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.172 -6.758 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.251 -5.844 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.235 -7.324 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.470 -7.416 6.512 1.00 0.00 H new ATOM 801 N ASP A 49 -4.638 -11.216 3.254 1.00 0.00 N ATOM 802 CA ASP A 49 -4.715 -12.531 2.637 1.00 0.00 C ATOM 803 C ASP A 49 -4.106 -13.611 3.537 1.00 0.00 C ATOM 804 O ASP A 49 -4.686 -14.683 3.706 1.00 0.00 O ATOM 805 CB ASP A 49 -4.003 -12.500 1.288 1.00 0.00 C ATOM 806 CG ASP A 49 -4.372 -13.669 0.403 1.00 0.00 C ATOM 807 OD1 ASP A 49 -3.759 -14.747 0.542 1.00 0.00 O ATOM 808 OD2 ASP A 49 -5.266 -13.509 -0.456 1.00 0.00 O ATOM 0 H ASP A 49 -4.059 -10.552 2.741 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.766 -12.782 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.248 -11.570 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.925 -12.500 1.451 1.00 0.00 H new ATOM 813 N ASN A 50 -2.947 -13.315 4.136 1.00 0.00 N ATOM 814 CA ASN A 50 -2.251 -14.290 4.976 1.00 0.00 C ATOM 815 C ASN A 50 -2.943 -14.471 6.320 1.00 0.00 C ATOM 816 O ASN A 50 -2.921 -15.556 6.899 1.00 0.00 O ATOM 817 CB ASN A 50 -0.818 -13.832 5.231 1.00 0.00 C ATOM 818 CG ASN A 50 -0.074 -13.503 3.960 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.156 -14.219 2.962 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.615 -12.381 3.977 1.00 0.00 N ATOM 0 H ASN A 50 -2.476 -12.414 4.054 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.261 -15.240 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.832 -12.954 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.282 -14.614 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.109 -12.073 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.655 -11.820 4.828 1.00 0.00 H new ATOM 827 N HIS A 51 -3.559 -13.409 6.819 1.00 0.00 N ATOM 828 CA HIS A 51 -4.163 -13.446 8.145 1.00 0.00 C ATOM 829 C HIS A 51 -5.620 -13.885 8.080 1.00 0.00 C ATOM 830 O HIS A 51 -6.270 -14.058 9.114 1.00 0.00 O ATOM 831 CB HIS A 51 -4.037 -12.092 8.843 1.00 0.00 C ATOM 832 CG HIS A 51 -2.639 -11.777 9.288 1.00 0.00 C ATOM 833 ND1 HIS A 51 -2.263 -11.705 10.615 1.00 0.00 N ATOM 834 CD2 HIS A 51 -1.518 -11.521 8.571 1.00 0.00 C ATOM 835 CE1 HIS A 51 -0.975 -11.420 10.691 1.00 0.00 C ATOM 836 NE2 HIS A 51 -0.503 -11.305 9.466 1.00 0.00 N ATOM 0 H HIS A 51 -3.654 -12.518 6.332 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.618 -14.185 8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.379 -11.310 8.166 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.698 -12.076 9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.439 -11.492 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.406 -11.302 11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.464 -11.090 9.223 1.00 0.00 H new ATOM 845 N ASP A 52 -6.113 -14.059 6.856 1.00 0.00 N ATOM 846 CA ASP A 52 -7.445 -14.604 6.602 1.00 0.00 C ATOM 847 C ASP A 52 -8.554 -13.732 7.216 1.00 0.00 C ATOM 848 O ASP A 52 -8.295 -12.628 7.705 1.00 0.00 O ATOM 849 CB ASP A 52 -7.504 -16.047 7.126 1.00 0.00 C ATOM 850 CG ASP A 52 -8.749 -16.800 6.699 1.00 0.00 C ATOM 851 OD1 ASP A 52 -8.844 -17.176 5.513 1.00 0.00 O ATOM 852 OD2 ASP A 52 -9.644 -17.008 7.544 1.00 0.00 O ATOM 0 H ASP A 52 -5.597 -13.825 6.008 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.624 -14.604 5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.625 -16.588 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.455 -16.031 8.215 1.00 0.00 H new ATOM 857 N LYS A 53 -9.782 -14.222 7.173 1.00 0.00 N ATOM 858 CA LYS A 53 -10.924 -13.512 7.720 1.00 0.00 C ATOM 859 C LYS A 53 -11.011 -13.720 9.228 1.00 0.00 C ATOM 860 O LYS A 53 -11.265 -12.784 9.986 1.00 0.00 O ATOM 861 CB LYS A 53 -12.206 -14.021 7.057 1.00 0.00 C ATOM 862 CG LYS A 53 -13.467 -13.321 7.529 1.00 0.00 C ATOM 863 CD LYS A 53 -14.709 -14.057 7.063 1.00 0.00 C ATOM 864 CE LYS A 53 -15.969 -13.266 7.363 1.00 0.00 C ATOM 865 NZ LYS A 53 -16.024 -12.005 6.578 1.00 0.00 N ATOM 0 H LYS A 53 -10.014 -15.124 6.757 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.804 -12.447 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.118 -13.898 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.303 -15.089 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.465 -13.257 8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.483 -12.299 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.642 -14.244 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.763 -15.029 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.844 -13.875 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.009 -13.035 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.000 -11.647 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.401 -11.296 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.709 -12.189 5.604 1.00 0.00 H new ATOM 879 N GLN A 54 -10.765 -14.950 9.658 1.00 0.00 N ATOM 880 CA GLN A 54 -10.943 -15.317 11.057 1.00 0.00 C ATOM 881 C GLN A 54 -9.687 -15.024 11.872 1.00 0.00 C ATOM 882 O GLN A 54 -8.568 -15.076 11.356 1.00 0.00 O ATOM 883 CB GLN A 54 -11.316 -16.799 11.175 1.00 0.00 C ATOM 884 CG GLN A 54 -10.210 -17.749 10.734 1.00 0.00 C ATOM 885 CD GLN A 54 -10.653 -19.198 10.719 1.00 0.00 C ATOM 886 OE1 GLN A 54 -11.525 -19.606 11.486 1.00 0.00 O ATOM 887 NE2 GLN A 54 -10.055 -19.990 9.845 1.00 0.00 N ATOM 0 H GLN A 54 -10.442 -15.710 9.059 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.755 -14.712 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.578 -17.017 12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.206 -16.989 10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.871 -17.467 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.356 -17.642 11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.337 -19.615 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.312 -20.976 9.790 1.00 0.00 H new ATOM 896 N LYS A 55 -9.884 -14.686 13.139 1.00 0.00 N ATOM 897 CA LYS A 55 -8.780 -14.458 14.063 1.00 0.00 C ATOM 898 C LYS A 55 -9.009 -15.267 15.332 1.00 0.00 C ATOM 899 O LYS A 55 -9.551 -14.759 16.315 1.00 0.00 O ATOM 900 CB LYS A 55 -8.628 -12.968 14.417 1.00 0.00 C ATOM 901 CG LYS A 55 -8.191 -12.078 13.260 1.00 0.00 C ATOM 902 CD LYS A 55 -9.346 -11.751 12.326 1.00 0.00 C ATOM 903 CE LYS A 55 -8.866 -11.072 11.055 1.00 0.00 C ATOM 904 NZ LYS A 55 -7.876 -11.909 10.322 1.00 0.00 N ATOM 0 H LYS A 55 -10.808 -14.563 13.554 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.859 -14.777 13.574 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.580 -12.601 14.800 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.902 -12.873 15.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.769 -11.153 13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.400 -12.575 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.878 -12.667 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.056 -11.103 12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.719 -10.867 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.416 -10.111 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.068 -11.859 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.916 -11.557 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.952 -12.896 10.641 1.00 0.00 H new ATOM 918 N LYS A 56 -8.617 -16.530 15.295 1.00 0.00 N ATOM 919 CA LYS A 56 -8.810 -17.427 16.419 1.00 0.00 C ATOM 920 C LYS A 56 -7.590 -18.318 16.588 1.00 0.00 C ATOM 921 O LYS A 56 -7.406 -19.239 15.768 1.00 0.00 O ATOM 922 CB LYS A 56 -10.064 -18.283 16.216 1.00 0.00 C ATOM 923 CG LYS A 56 -10.409 -19.144 17.420 1.00 0.00 C ATOM 924 CD LYS A 56 -10.753 -18.288 18.628 1.00 0.00 C ATOM 925 CE LYS A 56 -10.866 -19.119 19.893 1.00 0.00 C ATOM 926 NZ LYS A 56 -9.570 -19.749 20.257 1.00 0.00 N ATOM 927 OXT LYS A 56 -6.818 -18.094 17.540 1.00 0.00 O ATOM 0 H LYS A 56 -8.159 -16.959 14.490 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.943 -16.830 17.321 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.908 -17.630 15.992 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.919 -18.926 15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.252 -19.791 17.178 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.567 -19.793 17.659 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.987 -17.524 18.762 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.694 -17.768 18.449 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.206 -18.487 20.714 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.620 -19.894 19.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.589 -20.030 21.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.414 -20.590 19.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.798 -19.069 20.103 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 19.123 13.973 19.255 1.00 0.00 N ATOM 943 CA GLY B 2 19.602 12.786 18.510 1.00 0.00 C ATOM 944 C GLY B 2 19.630 13.029 17.019 1.00 0.00 C ATOM 945 O GLY B 2 18.878 13.862 16.505 1.00 0.00 O ATOM 0 HA2 GLY B 2 20.602 12.521 18.853 1.00 0.00 H new ATOM 0 HA3 GLY B 2 18.955 11.936 18.727 1.00 0.00 H new ATOM 951 N ARG B 3 20.492 12.307 16.318 1.00 0.00 N ATOM 952 CA ARG B 3 20.579 12.416 14.869 1.00 0.00 C ATOM 953 C ARG B 3 21.235 11.170 14.286 1.00 0.00 C ATOM 954 O ARG B 3 22.462 11.058 14.268 1.00 0.00 O ATOM 955 CB ARG B 3 21.361 13.668 14.458 1.00 0.00 C ATOM 956 CG ARG B 3 21.328 13.938 12.960 1.00 0.00 C ATOM 957 CD ARG B 3 22.055 15.227 12.607 1.00 0.00 C ATOM 958 NE ARG B 3 23.481 15.156 12.923 1.00 0.00 N ATOM 959 CZ ARG B 3 24.330 16.177 12.802 1.00 0.00 C ATOM 960 NH1 ARG B 3 23.911 17.359 12.360 1.00 0.00 N ATOM 961 NH2 ARG B 3 25.606 16.013 13.119 1.00 0.00 N ATOM 0 H ARG B 3 21.142 11.638 16.730 1.00 0.00 H new ATOM 0 HA ARG B 3 19.567 12.503 14.473 1.00 0.00 H new ATOM 0 HB2 ARG B 3 20.953 14.531 14.984 1.00 0.00 H new ATOM 0 HB3 ARG B 3 22.398 13.561 14.777 1.00 0.00 H new ATOM 0 HG2 ARG B 3 21.787 13.104 12.429 1.00 0.00 H new ATOM 0 HG3 ARG B 3 20.293 13.999 12.624 1.00 0.00 H new ATOM 0 HD2 ARG B 3 21.929 15.435 11.544 1.00 0.00 H new ATOM 0 HD3 ARG B 3 21.604 16.058 13.150 1.00 0.00 H new ATOM 0 HE ARG B 3 23.851 14.266 13.258 1.00 0.00 H new ATOM 0 HH11 ARG B 3 22.931 17.492 12.110 1.00 0.00 H new ATOM 0 HH12 ARG B 3 24.569 18.133 12.271 1.00 0.00 H new ATOM 0 HH21 ARG B 3 25.936 15.108 13.454 1.00 0.00 H new ATOM 0 HH22 ARG B 3 26.258 16.792 13.028 1.00 0.00 H new ATOM 975 N PRO B 4 20.414 10.210 13.832 1.00 0.00 N ATOM 976 CA PRO B 4 20.889 8.967 13.204 1.00 0.00 C ATOM 977 C PRO B 4 21.681 9.216 11.920 1.00 0.00 C ATOM 978 O PRO B 4 21.115 9.233 10.821 1.00 0.00 O ATOM 979 CB PRO B 4 19.599 8.197 12.894 1.00 0.00 C ATOM 980 CG PRO B 4 18.562 8.806 13.773 1.00 0.00 C ATOM 981 CD PRO B 4 18.944 10.248 13.911 1.00 0.00 C ATOM 0 HA PRO B 4 21.576 8.429 13.858 1.00 0.00 H new ATOM 0 HB2 PRO B 4 19.328 8.289 11.842 1.00 0.00 H new ATOM 0 HB3 PRO B 4 19.716 7.133 13.101 1.00 0.00 H new ATOM 0 HG2 PRO B 4 17.569 8.704 13.335 1.00 0.00 H new ATOM 0 HG3 PRO B 4 18.534 8.314 14.745 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.513 10.858 13.117 1.00 0.00 H new ATOM 0 HD3 PRO B 4 18.601 10.668 14.857 1.00 0.00 H new ATOM 989 N TYR B 5 22.990 9.402 12.079 1.00 0.00 N ATOM 990 CA TYR B 5 23.920 9.596 10.964 1.00 0.00 C ATOM 991 C TYR B 5 23.614 10.855 10.154 1.00 0.00 C ATOM 992 O TYR B 5 24.228 11.901 10.360 1.00 0.00 O ATOM 993 CB TYR B 5 23.933 8.371 10.039 1.00 0.00 C ATOM 994 CG TYR B 5 24.729 7.200 10.571 1.00 0.00 C ATOM 995 CD1 TYR B 5 24.728 6.884 11.922 1.00 0.00 C ATOM 996 CD2 TYR B 5 25.482 6.408 9.716 1.00 0.00 C ATOM 997 CE1 TYR B 5 25.455 5.819 12.406 1.00 0.00 C ATOM 998 CE2 TYR B 5 26.213 5.337 10.193 1.00 0.00 C ATOM 999 CZ TYR B 5 26.195 5.047 11.540 1.00 0.00 C ATOM 1000 OH TYR B 5 26.923 3.983 12.025 1.00 0.00 O ATOM 0 H TYR B 5 23.441 9.423 12.994 1.00 0.00 H new ATOM 0 HA TYR B 5 24.907 9.723 11.408 1.00 0.00 H new ATOM 0 HB2 TYR B 5 22.906 8.049 9.867 1.00 0.00 H new ATOM 0 HB3 TYR B 5 24.342 8.664 9.072 1.00 0.00 H new ATOM 0 HD1 TYR B 5 24.147 7.484 12.606 1.00 0.00 H new ATOM 0 HD2 TYR B 5 25.497 6.633 8.660 1.00 0.00 H new ATOM 0 HE1 TYR B 5 25.444 5.591 13.462 1.00 0.00 H new ATOM 0 HE2 TYR B 5 26.795 4.731 9.514 1.00 0.00 H new ATOM 0 HH TYR B 5 27.388 3.540 11.285 1.00 0.00 H new ATOM 1010 N LYS B 6 22.653 10.752 9.249 1.00 0.00 N ATOM 1011 CA LYS B 6 22.385 11.816 8.290 1.00 0.00 C ATOM 1012 C LYS B 6 20.888 11.979 8.044 1.00 0.00 C ATOM 1013 O LYS B 6 20.470 12.788 7.211 1.00 0.00 O ATOM 1014 CB LYS B 6 23.094 11.487 6.974 1.00 0.00 C ATOM 1015 CG LYS B 6 22.712 10.119 6.423 1.00 0.00 C ATOM 1016 CD LYS B 6 23.604 9.690 5.270 1.00 0.00 C ATOM 1017 CE LYS B 6 23.443 10.594 4.060 1.00 0.00 C ATOM 1018 NZ LYS B 6 24.300 10.150 2.932 1.00 0.00 N ATOM 0 H LYS B 6 22.043 9.940 9.157 1.00 0.00 H new ATOM 0 HA LYS B 6 22.759 12.755 8.697 1.00 0.00 H new ATOM 0 HB2 LYS B 6 22.852 12.251 6.236 1.00 0.00 H new ATOM 0 HB3 LYS B 6 24.172 11.523 7.129 1.00 0.00 H new ATOM 0 HG2 LYS B 6 22.773 9.379 7.221 1.00 0.00 H new ATOM 0 HG3 LYS B 6 21.675 10.142 6.088 1.00 0.00 H new ATOM 0 HD2 LYS B 6 24.645 9.699 5.594 1.00 0.00 H new ATOM 0 HD3 LYS B 6 23.366 8.664 4.990 1.00 0.00 H new ATOM 0 HE2 LYS B 6 22.399 10.600 3.745 1.00 0.00 H new ATOM 0 HE3 LYS B 6 23.700 11.618 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 24.166 10.788 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 25.297 10.168 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 24.038 9.182 2.657 1.00 0.00 H new ATOM 1032 N LEU B 7 20.081 11.225 8.779 1.00 0.00 N ATOM 1033 CA LEU B 7 18.639 11.217 8.565 1.00 0.00 C ATOM 1034 C LEU B 7 17.912 11.103 9.895 1.00 0.00 C ATOM 1035 O LEU B 7 18.474 10.623 10.874 1.00 0.00 O ATOM 1036 CB LEU B 7 18.247 10.045 7.656 1.00 0.00 C ATOM 1037 CG LEU B 7 18.771 10.126 6.218 1.00 0.00 C ATOM 1038 CD1 LEU B 7 18.534 8.818 5.482 1.00 0.00 C ATOM 1039 CD2 LEU B 7 18.101 11.270 5.472 1.00 0.00 C ATOM 0 H LEU B 7 20.400 10.611 9.529 1.00 0.00 H new ATOM 0 HA LEU B 7 18.353 12.152 8.083 1.00 0.00 H new ATOM 0 HB2 LEU B 7 18.610 9.121 8.106 1.00 0.00 H new ATOM 0 HB3 LEU B 7 17.159 9.979 7.625 1.00 0.00 H new ATOM 0 HG LEU B 7 19.844 10.311 6.260 1.00 0.00 H new ATOM 0 HD11 LEU B 7 18.914 8.899 4.464 1.00 0.00 H new ATOM 0 HD12 LEU B 7 19.052 8.010 5.999 1.00 0.00 H new ATOM 0 HD13 LEU B 7 17.465 8.604 5.454 1.00 0.00 H new ATOM 0 HD21 LEU B 7 18.484 11.314 4.453 1.00 0.00 H new ATOM 0 HD22 LEU B 7 17.024 11.107 5.448 1.00 0.00 H new ATOM 0 HD23 LEU B 7 18.314 12.210 5.980 1.00 0.00 H new ATOM 1051 N LEU B 8 16.661 11.536 9.924 1.00 0.00 N ATOM 1052 CA LEU B 8 15.872 11.482 11.149 1.00 0.00 C ATOM 1053 C LEU B 8 15.111 10.164 11.243 1.00 0.00 C ATOM 1054 O LEU B 8 13.880 10.147 11.249 1.00 0.00 O ATOM 1055 CB LEU B 8 14.903 12.665 11.221 1.00 0.00 C ATOM 1056 CG LEU B 8 15.563 14.046 11.292 1.00 0.00 C ATOM 1057 CD1 LEU B 8 14.505 15.138 11.346 1.00 0.00 C ATOM 1058 CD2 LEU B 8 16.488 14.137 12.500 1.00 0.00 C ATOM 0 H LEU B 8 16.171 11.927 9.119 1.00 0.00 H new ATOM 0 HA LEU B 8 16.556 11.545 11.995 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.253 12.635 10.347 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.266 12.539 12.096 1.00 0.00 H new ATOM 0 HG LEU B 8 16.161 14.189 10.392 1.00 0.00 H new ATOM 0 HD11 LEU B 8 14.990 16.113 11.396 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.884 15.087 10.452 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.882 14.997 12.229 1.00 0.00 H new ATOM 0 HD21 LEU B 8 16.947 15.125 12.533 1.00 0.00 H new ATOM 0 HD22 LEU B 8 15.913 13.973 13.412 1.00 0.00 H new ATOM 0 HD23 LEU B 8 17.266 13.378 12.420 1.00 0.00 H new ATOM 1070 N ASN B 9 15.870 9.066 11.299 1.00 0.00 N ATOM 1071 CA ASN B 9 15.332 7.705 11.455 1.00 0.00 C ATOM 1072 C ASN B 9 14.627 7.199 10.197 1.00 0.00 C ATOM 1073 O ASN B 9 14.843 6.063 9.772 1.00 0.00 O ATOM 1074 CB ASN B 9 14.375 7.604 12.654 1.00 0.00 C ATOM 1075 CG ASN B 9 15.056 7.880 13.979 1.00 0.00 C ATOM 1076 OD1 ASN B 9 15.664 6.991 14.573 1.00 0.00 O ATOM 1077 ND2 ASN B 9 14.927 9.102 14.475 1.00 0.00 N ATOM 0 H ASN B 9 16.888 9.094 11.237 1.00 0.00 H new ATOM 0 HA ASN B 9 16.198 7.068 11.635 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.556 8.310 12.519 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.936 6.607 12.678 1.00 0.00 H new ATOM 0 HD21 ASN B 9 15.339 9.332 15.379 1.00 0.00 H new ATOM 0 HD22 ASN B 9 14.415 9.813 13.953 1.00 0.00 H new ATOM 1084 N GLY B 10 13.812 8.039 9.586 1.00 0.00 N ATOM 1085 CA GLY B 10 12.981 7.590 8.496 1.00 0.00 C ATOM 1086 C GLY B 10 12.506 8.718 7.613 1.00 0.00 C ATOM 1087 O GLY B 10 12.640 9.893 7.955 1.00 0.00 O ATOM 0 H GLY B 10 13.711 9.025 9.826 1.00 0.00 H new ATOM 0 HA2 GLY B 10 13.539 6.874 7.893 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.116 7.063 8.899 1.00 0.00 H new ATOM 1091 N ILE B 11 11.968 8.344 6.463 1.00 0.00 N ATOM 1092 CA ILE B 11 11.532 9.299 5.454 1.00 0.00 C ATOM 1093 C ILE B 11 10.000 9.278 5.364 1.00 0.00 C ATOM 1094 O ILE B 11 9.360 8.299 5.786 1.00 0.00 O ATOM 1095 CB ILE B 11 12.157 8.954 4.071 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.656 8.655 4.211 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.935 10.080 3.067 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.465 9.814 4.753 1.00 0.00 C ATOM 0 H ILE B 11 11.821 7.369 6.202 1.00 0.00 H new ATOM 0 HA ILE B 11 11.865 10.297 5.739 1.00 0.00 H new ATOM 0 HB ILE B 11 11.656 8.061 3.696 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.785 7.796 4.869 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.053 8.372 3.236 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.383 9.809 2.111 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.866 10.243 2.933 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.397 10.995 3.438 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.514 9.525 4.823 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.368 10.669 4.084 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.097 10.084 5.743 1.00 0.00 H new ATOM 1110 N LYS B 12 9.424 10.331 4.787 1.00 0.00 N ATOM 1111 CA LYS B 12 7.976 10.509 4.750 1.00 0.00 C ATOM 1112 C LYS B 12 7.406 10.080 3.408 1.00 0.00 C ATOM 1113 O LYS B 12 7.900 10.468 2.350 1.00 0.00 O ATOM 1114 CB LYS B 12 7.626 11.978 5.014 1.00 0.00 C ATOM 1115 CG LYS B 12 6.155 12.324 4.809 1.00 0.00 C ATOM 1116 CD LYS B 12 5.246 11.559 5.760 1.00 0.00 C ATOM 1117 CE LYS B 12 3.783 11.875 5.500 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.441 13.277 5.854 1.00 0.00 N ATOM 0 H LYS B 12 9.946 11.081 4.334 1.00 0.00 H new ATOM 0 HA LYS B 12 7.536 9.882 5.526 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.905 12.227 6.038 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.229 12.606 4.358 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.012 13.395 4.955 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.871 12.102 3.780 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.415 10.488 5.645 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.498 11.813 6.790 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.557 11.702 4.448 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.158 11.193 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.413 13.415 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.741 13.472 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.929 13.928 5.206 1.00 0.00 H new ATOM 1132 N LEU B 13 6.358 9.279 3.477 1.00 0.00 N ATOM 1133 CA LEU B 13 5.706 8.735 2.303 1.00 0.00 C ATOM 1134 C LEU B 13 4.200 8.852 2.456 1.00 0.00 C ATOM 1135 O LEU B 13 3.700 9.113 3.551 1.00 0.00 O ATOM 1136 CB LEU B 13 6.095 7.265 2.096 1.00 0.00 C ATOM 1137 CG LEU B 13 5.823 6.338 3.290 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.693 4.897 2.826 1.00 0.00 C ATOM 1139 CD2 LEU B 13 6.934 6.454 4.334 1.00 0.00 C ATOM 0 H LEU B 13 5.933 8.986 4.357 1.00 0.00 H new ATOM 0 HA LEU B 13 6.030 9.303 1.431 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.555 6.882 1.230 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.157 7.218 1.856 1.00 0.00 H new ATOM 0 HG LEU B 13 4.884 6.647 3.749 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.500 4.254 3.685 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.867 4.815 2.119 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.618 4.586 2.340 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.719 5.788 5.170 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.887 6.175 3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 13 6.989 7.481 4.694 1.00 0.00 H new ATOM 1151 N GLY B 14 3.484 8.661 1.366 1.00 0.00 N ATOM 1152 CA GLY B 14 2.045 8.722 1.408 1.00 0.00 C ATOM 1153 C GLY B 14 1.419 7.741 0.445 1.00 0.00 C ATOM 1154 O GLY B 14 1.753 7.723 -0.739 1.00 0.00 O ATOM 0 H GLY B 14 3.877 8.463 0.446 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.701 8.510 2.420 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.716 9.732 1.165 1.00 0.00 H new ATOM 1158 N VAL B 15 0.511 6.925 0.953 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.115 5.888 0.148 1.00 0.00 C ATOM 1160 C VAL B 15 -1.541 6.300 -0.218 1.00 0.00 C ATOM 1161 O VAL B 15 -2.191 7.030 0.532 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.117 4.521 0.895 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.741 3.425 0.047 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.297 4.133 1.297 1.00 0.00 C ATOM 0 H VAL B 15 0.190 6.960 1.921 1.00 0.00 H new ATOM 0 HA VAL B 15 0.465 5.767 -0.767 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.723 4.636 1.794 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.726 2.485 0.599 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.771 3.690 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.174 3.312 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.277 3.176 1.818 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.918 4.049 0.406 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.710 4.896 1.956 1.00 0.00 H new ATOM 1174 N TYR B 16 -1.994 5.893 -1.400 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.380 6.104 -1.800 1.00 0.00 C ATOM 1176 C TYR B 16 -4.143 4.797 -1.792 1.00 0.00 C ATOM 1177 O TYR B 16 -3.831 3.882 -2.555 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.496 6.720 -3.194 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.708 8.210 -3.181 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.550 8.782 -2.245 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.094 9.040 -4.107 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -4.780 10.136 -2.224 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.316 10.405 -4.091 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.160 10.946 -3.147 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.401 12.301 -3.137 1.00 0.00 O ATOM 0 H TYR B 16 -1.422 5.416 -2.096 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.805 6.798 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.590 6.496 -3.757 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.325 6.249 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.037 8.151 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.435 8.615 -4.849 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.444 10.562 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.830 11.043 -4.815 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.886 12.730 -3.852 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.145 4.716 -0.935 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.996 3.541 -0.868 1.00 0.00 C ATOM 1197 C ILE B 17 -7.451 3.954 -0.673 1.00 0.00 C ATOM 1198 O ILE B 17 -7.730 5.009 -0.089 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.566 2.572 0.261 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.580 3.264 1.623 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.185 2.004 -0.026 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.152 2.360 2.761 1.00 0.00 C ATOM 0 H ILE B 17 -5.390 5.453 -0.273 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.890 3.011 -1.814 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.286 1.755 0.291 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -4.920 4.130 1.589 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.585 3.637 1.823 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.897 1.325 0.776 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.204 1.462 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.463 2.818 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.185 2.915 3.699 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.827 1.506 2.821 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.136 2.008 2.583 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.389 3.143 -1.191 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.832 3.413 -1.103 1.00 0.00 C ATOM 1216 C PRO B 18 -10.305 3.676 0.323 1.00 0.00 C ATOM 1217 O PRO B 18 -9.728 3.178 1.296 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.465 2.124 -1.635 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.435 1.545 -2.540 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.110 1.891 -1.923 1.00 0.00 C ATOM 0 HA PRO B 18 -10.103 4.311 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.710 1.439 -0.824 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.392 2.329 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.555 0.465 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.519 1.959 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.761 1.104 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.339 2.032 -2.680 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.367 4.470 0.439 1.00 0.00 N ATOM 1229 CA GLN B 19 -11.950 4.790 1.737 1.00 0.00 C ATOM 1230 C GLN B 19 -12.473 3.531 2.420 1.00 0.00 C ATOM 1231 O GLN B 19 -12.577 3.478 3.645 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.084 5.810 1.597 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.278 5.304 0.801 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.499 6.193 0.945 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.315 6.300 0.031 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.638 6.826 2.100 1.00 0.00 N ATOM 0 H GLN B 19 -11.841 4.904 -0.353 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.163 5.227 2.351 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.421 6.102 2.592 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -12.694 6.707 1.117 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.005 5.237 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.528 4.295 1.130 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -14.938 6.710 2.833 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.445 7.429 2.257 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.807 2.527 1.613 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.227 1.231 2.125 1.00 0.00 C ATOM 1247 C GLU B 20 -12.130 0.623 2.989 1.00 0.00 C ATOM 1248 O GLU B 20 -12.404 -0.033 3.992 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.578 0.303 0.964 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.682 0.847 0.072 1.00 0.00 C ATOM 1251 CD GLU B 20 -15.971 1.101 0.832 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -16.730 0.138 1.062 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.233 2.266 1.203 1.00 0.00 O ATOM 0 H GLU B 20 -12.794 2.590 0.595 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.114 1.363 2.745 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.685 0.132 0.362 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.885 -0.664 1.361 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.347 1.776 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -14.873 0.141 -0.736 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.885 0.913 2.636 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.749 0.427 3.398 1.00 0.00 C ATOM 1262 C TRP B 21 -9.639 1.240 4.663 1.00 0.00 C ATOM 1263 O TRP B 21 -9.433 0.698 5.742 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.444 0.602 2.629 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.241 -0.302 1.455 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.170 -0.764 0.573 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.983 -0.812 1.023 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.557 -1.538 -0.388 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.209 -1.583 -0.127 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.685 -0.688 1.510 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.171 -2.224 -0.801 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.662 -1.316 0.845 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.904 -2.074 -0.296 1.00 0.00 C ATOM 0 H TRP B 21 -10.639 1.483 1.826 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.906 -0.632 3.602 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.388 1.633 2.281 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.616 0.454 3.322 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.229 -0.555 0.620 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.027 -2.002 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.486 -0.106 2.398 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.357 -2.815 -1.686 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.651 -1.220 1.214 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.076 -2.555 -0.796 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.792 2.552 4.511 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.735 3.466 5.644 1.00 0.00 C ATOM 1286 C HIS B 22 -10.664 3.003 6.752 1.00 0.00 C ATOM 1287 O HIS B 22 -10.239 2.834 7.885 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.101 4.893 5.221 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.971 5.644 4.584 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.389 6.753 5.162 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.313 5.441 3.418 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.423 7.201 4.382 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.354 6.420 3.317 1.00 0.00 N ATOM 0 H HIS B 22 -9.957 3.005 3.612 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.711 3.468 6.017 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.937 4.852 4.523 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.444 5.445 6.096 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.506 4.656 2.701 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.796 8.058 4.580 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -6.695 6.527 2.545 1.00 0.00 H new ATOM 1302 N ASP B 23 -11.917 2.757 6.407 1.00 0.00 N ATOM 1303 CA ASP B 23 -12.911 2.348 7.393 1.00 0.00 C ATOM 1304 C ASP B 23 -12.534 1.040 8.087 1.00 0.00 C ATOM 1305 O ASP B 23 -12.538 0.966 9.317 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.287 2.204 6.750 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.301 1.633 7.720 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.855 2.398 8.534 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.538 0.411 7.678 1.00 0.00 O ATOM 0 H ASP B 23 -12.272 2.832 5.454 1.00 0.00 H new ATOM 0 HA ASP B 23 -12.942 3.134 8.148 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.628 3.178 6.398 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.215 1.557 5.876 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.178 0.020 7.311 1.00 0.00 N ATOM 1315 CA ARG B 24 -11.936 -1.303 7.887 1.00 0.00 C ATOM 1316 C ARG B 24 -10.633 -1.308 8.684 1.00 0.00 C ATOM 1317 O ARG B 24 -10.584 -1.791 9.822 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.858 -2.380 6.797 1.00 0.00 C ATOM 1319 CG ARG B 24 -12.976 -2.336 5.764 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.358 -2.518 6.372 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.379 -2.628 5.325 1.00 0.00 N ATOM 1322 CZ ARG B 24 -15.944 -1.594 4.691 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -15.723 -0.345 5.079 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -16.767 -1.822 3.675 1.00 0.00 N ATOM 0 H ARG B 24 -12.052 0.079 6.301 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.773 -1.529 8.547 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -10.903 -2.283 6.280 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.864 -3.360 7.275 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -12.940 -1.382 5.239 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -12.807 -3.116 5.021 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.371 -3.413 6.994 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.588 -1.674 7.023 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.682 -3.565 5.060 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.112 -0.159 5.875 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.164 0.429 4.582 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -16.964 -2.779 3.383 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.202 -1.040 3.186 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.589 -0.745 8.089 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.272 -0.718 8.710 1.00 0.00 C ATOM 1340 C LEU B 25 -8.276 0.150 9.958 1.00 0.00 C ATOM 1341 O LEU B 25 -7.759 -0.255 10.993 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.217 -0.210 7.724 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.019 -1.075 6.476 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.961 -0.462 5.573 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.636 -2.497 6.859 1.00 0.00 C ATOM 0 H LEU B 25 -9.630 -0.299 7.173 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.021 -1.739 8.998 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.493 0.796 7.409 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.264 -0.131 8.246 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.962 -1.114 5.931 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.830 -1.087 4.690 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.277 0.536 5.268 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.016 -0.395 6.113 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.501 -3.093 5.956 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.706 -2.483 7.427 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.427 -2.935 7.468 1.00 0.00 H new ATOM 1357 N MET B 26 -8.863 1.342 9.865 1.00 0.00 N ATOM 1358 CA MET B 26 -8.913 2.254 11.004 1.00 0.00 C ATOM 1359 C MET B 26 -9.746 1.688 12.146 1.00 0.00 C ATOM 1360 O MET B 26 -9.553 2.065 13.296 1.00 0.00 O ATOM 1361 CB MET B 26 -9.438 3.633 10.603 1.00 0.00 C ATOM 1362 CG MET B 26 -8.461 4.429 9.752 1.00 0.00 C ATOM 1363 SD MET B 26 -6.917 4.789 10.615 1.00 0.00 S ATOM 1364 CE MET B 26 -7.509 5.821 11.955 1.00 0.00 C ATOM 0 H MET B 26 -9.308 1.696 9.018 1.00 0.00 H new ATOM 0 HA MET B 26 -7.887 2.367 11.354 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.372 3.512 10.054 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.670 4.201 11.504 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.242 3.872 8.841 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.929 5.365 9.448 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.678 6.392 12.369 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.268 6.507 11.578 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.942 5.193 12.734 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.674 0.796 11.837 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.459 0.147 12.878 1.00 0.00 C ATOM 1376 C GLU B 27 -10.560 -0.760 13.715 1.00 0.00 C ATOM 1377 O GLU B 27 -10.555 -0.695 14.954 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.612 -0.642 12.263 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.589 -1.190 13.287 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.875 -1.665 12.653 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.706 -0.812 12.283 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.061 -2.891 12.514 1.00 0.00 O ATOM 0 H GLU B 27 -10.901 0.507 10.886 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.886 0.909 13.530 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.151 0.001 11.567 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.205 -1.470 11.682 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.124 -2.017 13.824 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.813 -0.418 14.023 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.768 -1.579 13.032 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.770 -2.402 13.701 1.00 0.00 C ATOM 1391 C ILE B 28 -7.758 -1.488 14.387 1.00 0.00 C ATOM 1392 O ILE B 28 -7.257 -1.774 15.478 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.036 -3.323 12.698 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.035 -4.215 11.950 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.991 -4.174 13.407 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -9.791 -5.178 12.845 1.00 0.00 C ATOM 0 H ILE B 28 -9.798 -1.690 12.018 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.273 -3.034 14.433 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.526 -2.691 11.971 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.752 -3.582 11.427 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -8.500 -4.785 11.190 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.489 -4.813 12.681 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.259 -3.525 13.888 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.477 -4.794 14.161 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -10.477 -5.773 12.242 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -9.084 -5.838 13.348 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -10.356 -4.616 13.589 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.501 -0.368 13.730 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.583 0.645 14.217 1.00 0.00 C ATOM 1410 C ALA B 29 -7.078 1.293 15.508 1.00 0.00 C ATOM 1411 O ALA B 29 -6.293 1.865 16.260 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.373 1.694 13.144 1.00 0.00 C ATOM 0 H ALA B 29 -7.930 -0.136 12.834 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.634 0.160 14.447 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.684 2.455 13.509 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.956 1.225 12.253 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.328 2.158 12.897 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.376 1.200 15.771 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.931 1.750 17.000 1.00 0.00 C ATOM 1420 C LYS B 30 -8.665 0.792 18.137 1.00 0.00 C ATOM 1421 O LYS B 30 -8.257 1.196 19.224 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.439 1.978 16.882 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.833 2.965 15.800 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.341 3.071 15.667 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.738 3.991 14.526 1.00 0.00 C ATOM 1426 NZ LYS B 30 -14.213 4.085 14.374 1.00 0.00 N ATOM 0 H LYS B 30 -9.057 0.754 15.157 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.453 2.712 17.188 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.925 1.023 16.683 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.818 2.335 17.840 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.417 3.946 16.032 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.404 2.653 14.848 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.763 2.080 15.500 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.764 3.444 16.600 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.328 4.985 14.703 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.300 3.626 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.441 4.723 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.603 3.141 14.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.629 4.458 15.251 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.881 -0.487 17.867 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.641 -1.523 18.861 1.00 0.00 C ATOM 1442 C GLU B 31 -7.181 -1.535 19.302 1.00 0.00 C ATOM 1443 O GLU B 31 -6.877 -1.430 20.489 1.00 0.00 O ATOM 1444 CB GLU B 31 -8.987 -2.902 18.309 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.423 -3.069 17.870 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.703 -4.497 17.473 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -10.259 -4.909 16.385 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -11.330 -5.226 18.267 1.00 0.00 O ATOM 0 H GLU B 31 -9.221 -0.832 16.970 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.280 -1.297 19.715 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.336 -3.111 17.460 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.766 -3.649 19.072 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -11.091 -2.775 18.679 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.630 -2.407 17.029 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.283 -1.644 18.332 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.873 -1.898 18.616 1.00 0.00 C ATOM 1457 C LYS B 32 -4.051 -0.614 18.732 1.00 0.00 C ATOM 1458 O LYS B 32 -2.844 -0.666 18.976 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.255 -2.822 17.557 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.710 -4.278 17.643 1.00 0.00 C ATOM 1461 CD LYS B 32 -6.091 -4.494 17.036 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.584 -5.915 17.280 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.886 -6.197 16.613 1.00 0.00 N ATOM 0 H LYS B 32 -6.504 -1.561 17.340 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.843 -2.393 19.587 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.501 -2.436 16.568 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.170 -2.788 17.652 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.987 -4.912 17.129 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.723 -4.590 18.687 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.796 -3.783 17.467 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.055 -4.298 15.964 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.836 -6.621 16.920 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.687 -6.080 18.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.376 -6.963 17.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.476 -5.340 16.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.716 -6.485 15.628 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.712 0.527 18.530 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.055 1.836 18.565 1.00 0.00 C ATOM 1479 C ASN B 33 -3.025 1.939 17.442 1.00 0.00 C ATOM 1480 O ASN B 33 -1.822 2.046 17.671 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.405 2.101 19.932 1.00 0.00 C ATOM 1482 CG ASN B 33 -2.796 3.489 20.029 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -3.273 4.439 19.406 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -1.737 3.616 20.814 1.00 0.00 N ATOM 0 H ASN B 33 -5.713 0.571 18.338 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.815 2.602 18.412 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -4.153 1.981 20.716 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.631 1.355 20.113 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -1.286 4.525 20.919 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -1.372 2.805 21.313 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.528 1.888 16.224 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.707 1.911 15.025 1.00 0.00 C ATOM 1493 C LEU B 34 -3.276 2.920 14.044 1.00 0.00 C ATOM 1494 O LEU B 34 -4.358 3.459 14.257 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.681 0.524 14.368 1.00 0.00 C ATOM 1496 CG LEU B 34 -2.107 -0.605 15.226 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -2.336 -1.950 14.551 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.621 -0.391 15.480 1.00 0.00 C ATOM 0 H LEU B 34 -4.529 1.829 16.035 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.690 2.192 15.300 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.699 0.258 14.083 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.099 0.589 13.448 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.623 -0.599 16.186 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.922 -2.744 15.173 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.406 -2.113 14.418 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.844 -1.957 13.578 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.235 -1.206 16.092 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.089 -0.368 14.529 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.473 0.555 16.001 1.00 0.00 H new ATOM 1510 N THR B 35 -2.524 3.227 13.008 1.00 0.00 N ATOM 1511 CA THR B 35 -3.069 3.955 11.882 1.00 0.00 C ATOM 1512 C THR B 35 -3.057 3.047 10.659 1.00 0.00 C ATOM 1513 O THR B 35 -2.361 2.033 10.660 1.00 0.00 O ATOM 1514 CB THR B 35 -2.269 5.235 11.580 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.921 4.899 11.237 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.270 6.173 12.775 1.00 0.00 C ATOM 0 H THR B 35 -1.537 2.985 12.922 1.00 0.00 H new ATOM 0 HA THR B 35 -4.087 4.256 12.131 1.00 0.00 H new ATOM 0 HB THR B 35 -2.745 5.742 10.741 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.384 4.826 12.054 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.698 7.069 12.535 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.295 6.451 13.018 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.817 5.672 13.631 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.822 3.375 9.631 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.747 2.627 8.376 1.00 0.00 C ATOM 1526 C LEU B 36 -2.346 2.732 7.785 1.00 0.00 C ATOM 1527 O LEU B 36 -1.880 1.821 7.105 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.806 3.102 7.374 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.632 4.511 6.801 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.596 4.706 5.650 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.863 5.583 7.857 1.00 0.00 C ATOM 0 H LEU B 36 -4.494 4.142 9.634 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.956 1.579 8.592 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.827 2.397 6.543 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.780 3.051 7.860 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.605 4.611 6.451 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.475 5.708 5.240 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.390 3.969 4.874 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.618 4.581 6.007 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.730 6.568 7.410 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.877 5.496 8.248 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.148 5.454 8.669 1.00 0.00 H new ATOM 1543 N SER B 37 -1.680 3.840 8.067 1.00 0.00 N ATOM 1544 CA SER B 37 -0.273 3.988 7.751 1.00 0.00 C ATOM 1545 C SER B 37 0.536 2.891 8.447 1.00 0.00 C ATOM 1546 O SER B 37 1.375 2.236 7.829 1.00 0.00 O ATOM 1547 CB SER B 37 0.212 5.364 8.206 1.00 0.00 C ATOM 1548 OG SER B 37 -0.635 6.394 7.717 1.00 0.00 O ATOM 0 H SER B 37 -2.097 4.654 8.518 1.00 0.00 H new ATOM 0 HA SER B 37 -0.135 3.898 6.674 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.242 5.400 9.295 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.230 5.529 7.854 1.00 0.00 H new ATOM 0 HG SER B 37 -0.303 7.264 8.024 1.00 0.00 H new ATOM 1554 N ASP B 38 0.255 2.686 9.732 1.00 0.00 N ATOM 1555 CA ASP B 38 0.924 1.650 10.516 1.00 0.00 C ATOM 1556 C ASP B 38 0.579 0.263 9.996 1.00 0.00 C ATOM 1557 O ASP B 38 1.449 -0.587 9.878 1.00 0.00 O ATOM 1558 CB ASP B 38 0.549 1.741 11.999 1.00 0.00 C ATOM 1559 CG ASP B 38 1.199 2.912 12.706 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.440 2.917 12.837 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.470 3.828 13.148 1.00 0.00 O ATOM 0 H ASP B 38 -0.435 3.226 10.254 1.00 0.00 H new ATOM 0 HA ASP B 38 1.996 1.816 10.413 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.534 1.826 12.089 1.00 0.00 H new ATOM 0 HB3 ASP B 38 0.839 0.816 12.498 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.691 0.042 9.678 1.00 0.00 N ATOM 1567 CA VAL B 39 -1.136 -1.253 9.159 1.00 0.00 C ATOM 1568 C VAL B 39 -0.481 -1.548 7.813 1.00 0.00 C ATOM 1569 O VAL B 39 -0.056 -2.672 7.546 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.674 -1.305 8.998 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -3.118 -2.659 8.461 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -3.365 -1.010 10.322 1.00 0.00 C ATOM 0 H VAL B 39 -1.431 0.738 9.769 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.836 -2.009 9.885 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.962 -0.538 8.279 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -4.203 -2.671 8.357 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.658 -2.833 7.488 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.812 -3.443 9.153 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -4.446 -1.052 10.186 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -3.064 -1.751 11.063 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -3.081 -0.016 10.667 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.389 -0.525 6.980 1.00 0.00 N ATOM 1583 CA CYS B 40 0.237 -0.643 5.673 1.00 0.00 C ATOM 1584 C CYS B 40 1.735 -0.954 5.847 1.00 0.00 C ATOM 1585 O CYS B 40 2.309 -1.767 5.122 1.00 0.00 O ATOM 1586 CB CYS B 40 -0.004 0.663 4.897 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.336 0.456 3.139 1.00 0.00 S ATOM 0 H CYS B 40 -0.745 0.408 7.189 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.197 -1.463 5.101 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.845 1.187 5.351 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.871 1.303 5.013 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.253 -0.803 2.827 1.00 0.00 H new ATOM 1593 N ARG B 41 2.335 -0.312 6.846 1.00 0.00 N ATOM 1594 CA ARG B 41 3.704 -0.585 7.282 1.00 0.00 C ATOM 1595 C ARG B 41 3.855 -2.034 7.767 1.00 0.00 C ATOM 1596 O ARG B 41 4.802 -2.727 7.404 1.00 0.00 O ATOM 1597 CB ARG B 41 4.067 0.418 8.399 1.00 0.00 C ATOM 1598 CG ARG B 41 5.448 0.254 9.026 1.00 0.00 C ATOM 1599 CD ARG B 41 5.467 -0.802 10.124 1.00 0.00 C ATOM 1600 NE ARG B 41 6.793 -0.944 10.728 1.00 0.00 N ATOM 1601 CZ ARG B 41 7.113 -1.890 11.613 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.210 -2.783 11.989 1.00 0.00 N ATOM 1603 NH2 ARG B 41 8.339 -1.943 12.121 1.00 0.00 N ATOM 0 H ARG B 41 1.878 0.424 7.384 1.00 0.00 H new ATOM 0 HA ARG B 41 4.388 -0.463 6.442 1.00 0.00 H new ATOM 0 HB2 ARG B 41 3.993 1.426 7.992 1.00 0.00 H new ATOM 0 HB3 ARG B 41 3.320 0.337 9.189 1.00 0.00 H new ATOM 0 HG2 ARG B 41 6.165 -0.018 8.252 1.00 0.00 H new ATOM 0 HG3 ARG B 41 5.772 1.209 9.439 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.744 -0.536 10.895 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.153 -1.760 9.710 1.00 0.00 H new ATOM 0 HE ARG B 41 7.517 -0.279 10.456 1.00 0.00 H new ATOM 0 HH11 ARG B 41 5.267 -2.749 11.602 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.458 -3.505 12.666 1.00 0.00 H new ATOM 0 HH21 ARG B 41 9.040 -1.259 11.835 1.00 0.00 H new ATOM 0 HH22 ARG B 41 8.580 -2.668 12.797 1.00 0.00 H new ATOM 1617 N LEU B 42 2.909 -2.492 8.575 1.00 0.00 N ATOM 1618 CA LEU B 42 2.955 -3.845 9.131 1.00 0.00 C ATOM 1619 C LEU B 42 2.841 -4.880 8.019 1.00 0.00 C ATOM 1620 O LEU B 42 3.384 -5.985 8.113 1.00 0.00 O ATOM 1621 CB LEU B 42 1.812 -4.054 10.132 1.00 0.00 C ATOM 1622 CG LEU B 42 1.789 -3.095 11.325 1.00 0.00 C ATOM 1623 CD1 LEU B 42 0.532 -3.305 12.154 1.00 0.00 C ATOM 1624 CD2 LEU B 42 3.030 -3.279 12.187 1.00 0.00 C ATOM 0 H LEU B 42 2.096 -1.947 8.863 1.00 0.00 H new ATOM 0 HA LEU B 42 3.909 -3.967 9.643 1.00 0.00 H new ATOM 0 HB2 LEU B 42 0.866 -3.963 9.599 1.00 0.00 H new ATOM 0 HB3 LEU B 42 1.868 -5.074 10.511 1.00 0.00 H new ATOM 0 HG LEU B 42 1.785 -2.074 10.942 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.533 -2.615 12.998 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.347 -3.121 11.536 1.00 0.00 H new ATOM 0 HD13 LEU B 42 0.507 -4.330 12.524 1.00 0.00 H new ATOM 0 HD21 LEU B 42 2.994 -2.588 13.029 1.00 0.00 H new ATOM 0 HD22 LEU B 42 3.066 -4.303 12.559 1.00 0.00 H new ATOM 0 HD23 LEU B 42 3.920 -3.078 11.591 1.00 0.00 H new ATOM 1636 N ALA B 43 2.152 -4.496 6.961 1.00 0.00 N ATOM 1637 CA ALA B 43 1.921 -5.374 5.835 1.00 0.00 C ATOM 1638 C ALA B 43 3.201 -5.612 5.044 1.00 0.00 C ATOM 1639 O ALA B 43 3.521 -6.752 4.717 1.00 0.00 O ATOM 1640 CB ALA B 43 0.841 -4.792 4.944 1.00 0.00 C ATOM 0 H ALA B 43 1.739 -3.569 6.860 1.00 0.00 H new ATOM 0 HA ALA B 43 1.588 -6.340 6.215 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.671 -5.457 4.097 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -0.082 -4.686 5.513 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.157 -3.815 4.580 1.00 0.00 H new ATOM 1646 N ILE B 44 3.944 -4.546 4.747 1.00 0.00 N ATOM 1647 CA ILE B 44 5.186 -4.690 3.991 1.00 0.00 C ATOM 1648 C ILE B 44 6.229 -5.426 4.806 1.00 0.00 C ATOM 1649 O ILE B 44 7.089 -6.108 4.255 1.00 0.00 O ATOM 1650 CB ILE B 44 5.771 -3.347 3.499 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.371 -2.195 4.421 1.00 0.00 C ATOM 1652 CG2 ILE B 44 5.342 -3.073 2.070 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.849 -0.841 3.934 1.00 0.00 C ATOM 0 H ILE B 44 3.712 -3.589 5.013 1.00 0.00 H new ATOM 0 HA ILE B 44 4.925 -5.269 3.105 1.00 0.00 H new ATOM 0 HB ILE B 44 6.858 -3.424 3.523 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.285 -2.176 4.517 1.00 0.00 H new ATOM 0 HG13 ILE B 44 5.776 -2.379 5.416 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.763 -2.123 1.740 1.00 0.00 H new ATOM 0 HG22 ILE B 44 5.700 -3.874 1.423 1.00 0.00 H new ATOM 0 HG23 ILE B 44 4.254 -3.025 2.020 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.531 -0.069 4.635 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.937 -0.842 3.865 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.423 -0.637 2.952 1.00 0.00 H new ATOM 1665 N LYS B 45 6.149 -5.289 6.122 1.00 0.00 N ATOM 1666 CA LYS B 45 7.028 -6.032 7.002 1.00 0.00 C ATOM 1667 C LYS B 45 6.840 -7.537 6.803 1.00 0.00 C ATOM 1668 O LYS B 45 7.816 -8.284 6.688 1.00 0.00 O ATOM 1669 CB LYS B 45 6.797 -5.647 8.462 1.00 0.00 C ATOM 1670 CG LYS B 45 7.666 -6.429 9.435 1.00 0.00 C ATOM 1671 CD LYS B 45 7.595 -5.847 10.835 1.00 0.00 C ATOM 1672 CE LYS B 45 8.353 -6.705 11.833 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.763 -6.939 11.420 1.00 0.00 N ATOM 0 H LYS B 45 5.488 -4.674 6.597 1.00 0.00 H new ATOM 0 HA LYS B 45 8.056 -5.776 6.747 1.00 0.00 H new ATOM 0 HB2 LYS B 45 6.994 -4.582 8.585 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.748 -5.808 8.712 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.344 -7.470 9.456 1.00 0.00 H new ATOM 0 HG3 LYS B 45 8.699 -6.421 9.089 1.00 0.00 H new ATOM 0 HD2 LYS B 45 8.009 -4.839 10.832 1.00 0.00 H new ATOM 0 HD3 LYS B 45 6.553 -5.763 11.143 1.00 0.00 H new ATOM 0 HE2 LYS B 45 8.338 -6.221 12.810 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.846 -7.663 11.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.281 -7.396 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 9.782 -7.555 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 10.213 -6.030 11.191 1.00 0.00 H new ATOM 1687 N GLU B 46 5.583 -7.982 6.738 1.00 0.00 N ATOM 1688 CA GLU B 46 5.302 -9.387 6.481 1.00 0.00 C ATOM 1689 C GLU B 46 5.592 -9.710 5.027 1.00 0.00 C ATOM 1690 O GLU B 46 6.016 -10.811 4.701 1.00 0.00 O ATOM 1691 CB GLU B 46 3.854 -9.755 6.823 1.00 0.00 C ATOM 1692 CG GLU B 46 3.529 -11.215 6.523 1.00 0.00 C ATOM 1693 CD GLU B 46 2.169 -11.647 7.022 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.047 -11.941 8.233 1.00 0.00 O ATOM 1695 OE2 GLU B 46 1.227 -11.729 6.209 1.00 0.00 O ATOM 0 H GLU B 46 4.757 -7.395 6.859 1.00 0.00 H new ATOM 0 HA GLU B 46 5.950 -9.979 7.127 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.673 -9.557 7.880 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.178 -9.113 6.258 1.00 0.00 H new ATOM 0 HG2 GLU B 46 3.580 -11.376 5.446 1.00 0.00 H new ATOM 0 HG3 GLU B 46 4.291 -11.849 6.976 1.00 0.00 H new ATOM 1702 N TYR B 47 5.387 -8.727 4.162 1.00 0.00 N ATOM 1703 CA TYR B 47 5.639 -8.891 2.739 1.00 0.00 C ATOM 1704 C TYR B 47 7.106 -9.240 2.513 1.00 0.00 C ATOM 1705 O TYR B 47 7.436 -10.118 1.717 1.00 0.00 O ATOM 1706 CB TYR B 47 5.275 -7.603 1.992 1.00 0.00 C ATOM 1707 CG TYR B 47 5.373 -7.702 0.482 1.00 0.00 C ATOM 1708 CD1 TYR B 47 4.296 -8.153 -0.273 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.536 -7.335 -0.189 1.00 0.00 C ATOM 1710 CE1 TYR B 47 4.377 -8.240 -1.649 1.00 0.00 C ATOM 1711 CE2 TYR B 47 6.620 -7.418 -1.566 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.538 -7.871 -2.289 1.00 0.00 C ATOM 1713 OH TYR B 47 5.616 -7.952 -3.660 1.00 0.00 O ATOM 0 H TYR B 47 5.045 -7.802 4.424 1.00 0.00 H new ATOM 0 HA TYR B 47 5.021 -9.703 2.355 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.257 -7.318 2.259 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.930 -6.802 2.334 1.00 0.00 H new ATOM 0 HD1 TYR B 47 3.381 -8.440 0.225 1.00 0.00 H new ATOM 0 HD2 TYR B 47 7.386 -6.980 0.375 1.00 0.00 H new ATOM 0 HE1 TYR B 47 3.533 -8.596 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR B 47 7.529 -7.129 -2.073 1.00 0.00 H new ATOM 0 HH TYR B 47 6.502 -7.654 -3.955 1.00 0.00 H new ATOM 1723 N LEU B 48 7.981 -8.565 3.246 1.00 0.00 N ATOM 1724 CA LEU B 48 9.409 -8.822 3.162 1.00 0.00 C ATOM 1725 C LEU B 48 9.731 -10.223 3.664 1.00 0.00 C ATOM 1726 O LEU B 48 10.336 -11.023 2.953 1.00 0.00 O ATOM 1727 CB LEU B 48 10.192 -7.787 3.980 1.00 0.00 C ATOM 1728 CG LEU B 48 10.005 -6.331 3.547 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.821 -5.402 4.432 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.392 -6.154 2.085 1.00 0.00 C ATOM 0 H LEU B 48 7.724 -7.833 3.908 1.00 0.00 H new ATOM 0 HA LEU B 48 9.705 -8.744 2.116 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.899 -7.878 5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.253 -8.032 3.924 1.00 0.00 H new ATOM 0 HG LEU B 48 8.952 -6.072 3.657 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.676 -4.371 4.109 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.496 -5.507 5.467 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.877 -5.661 4.355 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.252 -5.113 1.795 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.437 -6.432 1.949 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.764 -6.791 1.463 1.00 0.00 H new ATOM 1742 N ASP B 49 9.298 -10.514 4.884 1.00 0.00 N ATOM 1743 CA ASP B 49 9.602 -11.788 5.534 1.00 0.00 C ATOM 1744 C ASP B 49 8.970 -12.975 4.802 1.00 0.00 C ATOM 1745 O ASP B 49 9.485 -14.092 4.853 1.00 0.00 O ATOM 1746 CB ASP B 49 9.131 -11.754 6.985 1.00 0.00 C ATOM 1747 CG ASP B 49 9.581 -12.973 7.772 1.00 0.00 C ATOM 1748 OD1 ASP B 49 10.790 -13.073 8.078 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.728 -13.830 8.090 1.00 0.00 O ATOM 0 H ASP B 49 8.731 -9.882 5.449 1.00 0.00 H new ATOM 0 HA ASP B 49 10.683 -11.926 5.501 1.00 0.00 H new ATOM 0 HB2 ASP B 49 9.513 -10.854 7.466 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.043 -11.691 7.009 1.00 0.00 H new ATOM 1754 N ASN B 50 7.876 -12.722 4.094 1.00 0.00 N ATOM 1755 CA ASN B 50 7.138 -13.781 3.409 1.00 0.00 C ATOM 1756 C ASN B 50 7.894 -14.246 2.173 1.00 0.00 C ATOM 1757 O ASN B 50 7.881 -15.427 1.829 1.00 0.00 O ATOM 1758 CB ASN B 50 5.749 -13.288 2.993 1.00 0.00 C ATOM 1759 CG ASN B 50 4.905 -14.386 2.376 1.00 0.00 C ATOM 1760 OD1 ASN B 50 4.986 -15.546 2.777 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.092 -14.032 1.398 1.00 0.00 N ATOM 0 H ASN B 50 7.478 -11.790 3.978 1.00 0.00 H new ATOM 0 HA ASN B 50 7.031 -14.616 4.102 1.00 0.00 H new ATOM 0 HB2 ASN B 50 5.234 -12.884 3.865 1.00 0.00 H new ATOM 0 HB3 ASN B 50 5.855 -12.471 2.279 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.502 -14.731 0.947 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.054 -13.059 1.094 1.00 0.00 H new ATOM 1768 N HIS B 51 8.557 -13.313 1.509 1.00 0.00 N ATOM 1769 CA HIS B 51 9.383 -13.654 0.359 1.00 0.00 C ATOM 1770 C HIS B 51 10.797 -13.958 0.843 1.00 0.00 C ATOM 1771 O HIS B 51 11.587 -14.597 0.148 1.00 0.00 O ATOM 1772 CB HIS B 51 9.362 -12.525 -0.680 1.00 0.00 C ATOM 1773 CG HIS B 51 7.994 -12.286 -1.266 1.00 0.00 C ATOM 1774 ND1 HIS B 51 7.595 -12.778 -2.490 1.00 0.00 N ATOM 1775 CD2 HIS B 51 6.923 -11.617 -0.770 1.00 0.00 C ATOM 1776 CE1 HIS B 51 6.342 -12.421 -2.718 1.00 0.00 C ATOM 1777 NE2 HIS B 51 5.908 -11.715 -1.688 1.00 0.00 N ATOM 0 H HIS B 51 8.541 -12.320 1.743 1.00 0.00 H new ATOM 0 HA HIS B 51 8.985 -14.540 -0.135 1.00 0.00 H new ATOM 0 HB2 HIS B 51 9.717 -11.605 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS B 51 10.058 -12.766 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS B 51 6.878 -11.100 0.177 1.00 0.00 H new ATOM 0 HE1 HIS B 51 5.768 -12.666 -3.600 1.00 0.00 H new ATOM 0 HE2 HIS B 51 4.976 -11.311 -1.592 1.00 0.00 H new ATOM 1786 N ASP B 52 11.076 -13.476 2.055 1.00 0.00 N ATOM 1787 CA ASP B 52 12.235 -13.868 2.856 1.00 0.00 C ATOM 1788 C ASP B 52 13.571 -13.476 2.233 1.00 0.00 C ATOM 1789 O ASP B 52 14.217 -12.523 2.677 1.00 0.00 O ATOM 1790 CB ASP B 52 12.195 -15.373 3.112 1.00 0.00 C ATOM 1791 CG ASP B 52 13.191 -15.811 4.164 1.00 0.00 C ATOM 1792 OD1 ASP B 52 14.382 -15.973 3.838 1.00 0.00 O ATOM 1793 OD2 ASP B 52 12.784 -15.991 5.332 1.00 0.00 O ATOM 0 H ASP B 52 10.486 -12.784 2.518 1.00 0.00 H new ATOM 0 HA ASP B 52 12.167 -13.319 3.795 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.191 -15.658 3.427 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.399 -15.902 2.181 1.00 0.00 H new ATOM 1798 N LYS B 53 13.970 -14.207 1.206 1.00 0.00 N ATOM 1799 CA LYS B 53 15.298 -14.078 0.626 1.00 0.00 C ATOM 1800 C LYS B 53 15.337 -14.778 -0.724 1.00 0.00 C ATOM 1801 O LYS B 53 15.941 -14.293 -1.683 1.00 0.00 O ATOM 1802 CB LYS B 53 16.337 -14.708 1.566 1.00 0.00 C ATOM 1803 CG LYS B 53 17.776 -14.595 1.082 1.00 0.00 C ATOM 1804 CD LYS B 53 18.702 -15.480 1.903 1.00 0.00 C ATOM 1805 CE LYS B 53 20.160 -15.283 1.517 1.00 0.00 C ATOM 1806 NZ LYS B 53 20.684 -13.969 1.976 1.00 0.00 N ATOM 0 H LYS B 53 13.384 -14.906 0.750 1.00 0.00 H new ATOM 0 HA LYS B 53 15.530 -13.022 0.490 1.00 0.00 H new ATOM 0 HB2 LYS B 53 16.258 -14.234 2.544 1.00 0.00 H new ATOM 0 HB3 LYS B 53 16.094 -15.762 1.701 1.00 0.00 H new ATOM 0 HG2 LYS B 53 17.833 -14.880 0.031 1.00 0.00 H new ATOM 0 HG3 LYS B 53 18.105 -13.558 1.149 1.00 0.00 H new ATOM 0 HD2 LYS B 53 18.573 -15.257 2.962 1.00 0.00 H new ATOM 0 HD3 LYS B 53 18.426 -16.525 1.761 1.00 0.00 H new ATOM 0 HE2 LYS B 53 20.761 -16.084 1.948 1.00 0.00 H new ATOM 0 HE3 LYS B 53 20.262 -15.356 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 21.708 -13.923 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 20.208 -13.205 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 20.503 -13.860 2.994 1.00 0.00 H new ATOM 1820 N GLN B 54 14.657 -15.912 -0.789 1.00 0.00 N ATOM 1821 CA GLN B 54 14.657 -16.751 -1.973 1.00 0.00 C ATOM 1822 C GLN B 54 13.608 -16.284 -2.981 1.00 0.00 C ATOM 1823 O GLN B 54 12.475 -16.764 -2.995 1.00 0.00 O ATOM 1824 CB GLN B 54 14.414 -18.212 -1.570 1.00 0.00 C ATOM 1825 CG GLN B 54 13.182 -18.411 -0.692 1.00 0.00 C ATOM 1826 CD GLN B 54 13.031 -19.835 -0.205 1.00 0.00 C ATOM 1827 OE1 GLN B 54 12.398 -20.668 -0.854 1.00 0.00 O ATOM 1828 NE2 GLN B 54 13.601 -20.119 0.952 1.00 0.00 N ATOM 0 H GLN B 54 14.091 -16.275 -0.022 1.00 0.00 H new ATOM 0 HA GLN B 54 15.631 -16.673 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN B 54 14.308 -18.815 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN B 54 15.291 -18.584 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN B 54 13.242 -17.743 0.167 1.00 0.00 H new ATOM 0 HG3 GLN B 54 12.292 -18.128 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN B 54 14.117 -19.398 1.457 1.00 0.00 H new ATOM 0 HE22 GLN B 54 13.526 -21.059 1.340 1.00 0.00 H new ATOM 1837 N LYS B 55 13.986 -15.330 -3.814 1.00 0.00 N ATOM 1838 CA LYS B 55 13.105 -14.868 -4.873 1.00 0.00 C ATOM 1839 C LYS B 55 13.235 -15.792 -6.074 1.00 0.00 C ATOM 1840 O LYS B 55 13.943 -15.491 -7.038 1.00 0.00 O ATOM 1841 CB LYS B 55 13.430 -13.425 -5.268 1.00 0.00 C ATOM 1842 CG LYS B 55 13.391 -12.451 -4.101 1.00 0.00 C ATOM 1843 CD LYS B 55 13.516 -11.011 -4.573 1.00 0.00 C ATOM 1844 CE LYS B 55 13.570 -10.041 -3.405 1.00 0.00 C ATOM 1845 NZ LYS B 55 14.836 -10.172 -2.638 1.00 0.00 N ATOM 0 H LYS B 55 14.892 -14.862 -3.779 1.00 0.00 H new ATOM 0 HA LYS B 55 12.077 -14.887 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS B 55 14.421 -13.396 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.721 -13.097 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.457 -12.576 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS B 55 14.201 -12.679 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.416 -10.903 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.670 -10.763 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.473 -9.020 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS B 55 12.723 -10.222 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.921 -9.379 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.832 -11.069 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.642 -10.160 -3.295 1.00 0.00 H new ATOM 1859 N LYS B 56 12.563 -16.928 -5.994 1.00 0.00 N ATOM 1860 CA LYS B 56 12.653 -17.944 -7.025 1.00 0.00 C ATOM 1861 C LYS B 56 11.525 -17.754 -8.029 1.00 0.00 C ATOM 1862 O LYS B 56 10.389 -18.189 -7.742 1.00 0.00 O ATOM 1863 CB LYS B 56 12.571 -19.342 -6.404 1.00 0.00 C ATOM 1864 CG LYS B 56 13.138 -20.437 -7.292 1.00 0.00 C ATOM 1865 CD LYS B 56 14.658 -20.388 -7.329 1.00 0.00 C ATOM 1866 CE LYS B 56 15.234 -21.401 -8.307 1.00 0.00 C ATOM 1867 NZ LYS B 56 14.993 -21.009 -9.719 1.00 0.00 N ATOM 1868 OXT LYS B 56 11.772 -17.156 -9.095 1.00 0.00 O ATOM 0 H LYS B 56 11.945 -17.169 -5.219 1.00 0.00 H new ATOM 0 HA LYS B 56 13.611 -17.846 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS B 56 13.108 -19.341 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS B 56 11.529 -19.570 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS B 56 12.812 -21.410 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS B 56 12.744 -20.329 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS B 56 14.982 -19.386 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS B 56 15.052 -20.582 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS B 56 16.306 -21.501 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS B 56 14.789 -22.378 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 15.515 -21.649 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 13.976 -21.070 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 15.319 -20.033 -9.869 1.00 0.00 H new TER 1882 LYS B 56