USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1094 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: B 47 ASN : amide:sc= 0.916 K(o=2,f=-6.5!) USER MOD Set 1.2: B 49 LYS NZ :NH3+ 179:sc= 1.12 (180deg=-0.0372) USER MOD Set 2.1: A 24 HIS : no HE2:sc= -0.698 X(o=-2,f=-2.1) USER MOD Set 2.2: B 46 MET CE :methyl -116:sc= -1.29 (180deg=-2.45) USER MOD Set 3.1: A 46 MET CE :methyl -160:sc= -1.22 (180deg=-1.5) USER MOD Set 3.2: B 24 HIS : no HD1:sc= -0.17 K(o=-1.4,f=-2.7) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0948 (180deg=-0.428) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.997 (180deg=0.748) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.11 (180deg=-0.569) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.477 F(o=-1,f=-0.48) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.14) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0141 (180deg=-0.157) USER MOD Single : A 12 ASN : amide:sc= 1.28 K(o=1.3,f=-0.013) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.26) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 1.7 (180deg=1.67) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0166 (180deg=-0.173) USER MOD Single : A 19 GLN : amide:sc= -0.0826 K(o=-0.083,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.125) USER MOD Single : A 35 SER OG : rot -78:sc= 1.21 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= -0.201 (180deg=-0.49) USER MOD Single : A 43 ASN : amide:sc= 0.308 K(o=0.31,f=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.5!) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 0.705 (180deg=0.145) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -0.0653 K(o=-0.065,f=-4.6!) USER MOD Single : A 61 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.37) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-3.2e-05) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -179:sc= 0.486 (180deg=0.482) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.42) USER MOD Single : B 7 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.09) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 9 LYS NZ :NH3+ -161:sc= -0.152 (180deg=-0.643) USER MOD Single : B 12 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.5!) USER MOD Single : B 13 LYS NZ :NH3+ -178:sc= 2.04 (180deg=1.96) USER MOD Single : B 14 LYS NZ :NH3+ 158:sc= 0.936 (180deg=0.258) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -74:sc= 1.2 USER MOD Single : B 40 LYS NZ :NH3+ 176:sc= 2.17 (180deg=2.07) USER MOD Single : B 43 ASN : amide:sc= 1.11 X(o=1.1,f=0.72) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ -146:sc= -1.37 (180deg=-3.25!) USER MOD Single : B 53 HIS : no HD1:sc=-0.00905 X(o=-0.009,f=-0.017) USER MOD Single : B 54 LYS NZ :NH3+ -173:sc= 0.968 (180deg=0.848!) USER MOD Single : B 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 58 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.053) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 60 HIS : no HD1:sc= -1 X(o=-1,f=-0.97) USER MOD Single : B 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 62 HIS :FLIP no HE2:sc= -0.232 F(o=-1.4,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.792 -17.998 -2.165 1.00 0.00 N ATOM 2 CA MET A 1 19.629 -16.549 -1.989 1.00 0.00 C ATOM 3 C MET A 1 18.639 -16.243 -0.871 1.00 0.00 C ATOM 4 O MET A 1 18.604 -15.130 -0.367 1.00 0.00 O ATOM 5 CB MET A 1 19.260 -15.844 -3.315 1.00 0.00 C ATOM 6 CG MET A 1 17.993 -16.350 -3.991 1.00 0.00 C ATOM 7 SD MET A 1 17.665 -15.551 -5.582 1.00 0.00 S ATOM 8 CE MET A 1 17.452 -13.839 -5.084 1.00 0.00 C ATOM 0 H1 MET A 1 20.567 -18.181 -2.834 1.00 0.00 H new ATOM 0 H2 MET A 1 20.015 -18.436 -1.249 1.00 0.00 H new ATOM 0 H3 MET A 1 18.910 -18.404 -2.537 1.00 0.00 H new ATOM 0 HA MET A 1 20.593 -16.140 -1.687 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.147 -14.777 -3.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.092 -15.955 -4.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.075 -17.426 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.144 -16.185 -3.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.972 -13.283 -5.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.829 -13.795 -4.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.426 -13.399 -4.869 1.00 0.00 H new ATOM 20 N GLU A 2 17.834 -17.256 -0.510 1.00 0.00 N ATOM 21 CA GLU A 2 16.962 -17.266 0.669 1.00 0.00 C ATOM 22 C GLU A 2 15.829 -16.230 0.645 1.00 0.00 C ATOM 23 O GLU A 2 16.054 -15.011 0.621 1.00 0.00 O ATOM 24 CB GLU A 2 17.778 -17.203 1.987 1.00 0.00 C ATOM 25 CG GLU A 2 18.678 -18.435 2.274 1.00 0.00 C ATOM 26 CD GLU A 2 19.825 -18.637 1.283 1.00 0.00 C ATOM 27 OE1 GLU A 2 19.626 -19.300 0.222 1.00 0.00 O ATOM 28 OE2 GLU A 2 20.930 -18.143 1.522 1.00 0.00 O ATOM 0 H GLU A 2 17.773 -18.118 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 2 16.452 -18.228 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.407 -16.313 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.084 -17.080 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.096 -18.337 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.055 -19.330 2.275 1.00 0.00 H new ATOM 35 N MET A 3 14.602 -16.722 0.722 1.00 0.00 N ATOM 36 CA MET A 3 13.418 -15.861 0.694 1.00 0.00 C ATOM 37 C MET A 3 13.304 -15.045 1.968 1.00 0.00 C ATOM 38 O MET A 3 12.669 -13.994 1.982 1.00 0.00 O ATOM 39 CB MET A 3 12.124 -16.652 0.462 1.00 0.00 C ATOM 40 CG MET A 3 12.030 -17.324 -0.899 1.00 0.00 C ATOM 41 SD MET A 3 10.441 -18.143 -1.175 1.00 0.00 S ATOM 42 CE MET A 3 10.441 -19.341 0.154 1.00 0.00 C ATOM 0 H MET A 3 14.394 -17.717 0.805 1.00 0.00 H new ATOM 0 HA MET A 3 13.549 -15.185 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.036 -17.414 1.236 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.275 -15.978 0.580 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.188 -16.578 -1.678 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.831 -18.057 -0.992 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.696 -20.110 -0.050 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.426 -19.801 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.201 -18.843 1.093 1.00 0.00 H new ATOM 52 N GLY A 4 13.931 -15.526 3.030 1.00 0.00 N ATOM 53 CA GLY A 4 13.958 -14.800 4.284 1.00 0.00 C ATOM 54 C GLY A 4 14.728 -13.503 4.142 1.00 0.00 C ATOM 55 O GLY A 4 14.345 -12.465 4.705 1.00 0.00 O ATOM 0 H GLY A 4 14.427 -16.417 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.939 -14.589 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.417 -15.417 5.056 1.00 0.00 H new ATOM 59 N GLN A 5 15.785 -13.552 3.349 1.00 0.00 N ATOM 60 CA GLN A 5 16.610 -12.387 3.082 1.00 0.00 C ATOM 61 C GLN A 5 15.848 -11.444 2.179 1.00 0.00 C ATOM 62 O GLN A 5 15.874 -10.224 2.364 1.00 0.00 O ATOM 63 CB GLN A 5 17.918 -12.799 2.421 1.00 0.00 C ATOM 64 CG GLN A 5 18.764 -13.736 3.265 1.00 0.00 C ATOM 65 CD GLN A 5 20.034 -14.181 2.567 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.570 -13.351 1.724 1.00 0.00 O flip ATOM 67 NE2 GLN A 5 20.534 -15.272 2.806 1.00 0.00 N flip ATOM 0 H GLN A 5 16.095 -14.399 2.873 1.00 0.00 H new ATOM 0 HA GLN A 5 16.846 -11.889 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.697 -13.283 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.498 -11.904 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.025 -13.238 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.173 -14.614 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.089 -15.902 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.396 -15.552 2.338 1.00 0.00 H new ATOM 76 N LEU A 6 15.143 -12.031 1.222 1.00 0.00 N ATOM 77 CA LEU A 6 14.294 -11.296 0.297 1.00 0.00 C ATOM 78 C LEU A 6 13.227 -10.534 1.098 1.00 0.00 C ATOM 79 O LEU A 6 13.032 -9.332 0.908 1.00 0.00 O ATOM 80 CB LEU A 6 13.680 -12.302 -0.732 1.00 0.00 C ATOM 81 CG LEU A 6 12.795 -11.769 -1.888 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.401 -11.407 -1.423 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.450 -10.582 -2.579 1.00 0.00 C ATOM 0 H LEU A 6 15.145 -13.039 1.065 1.00 0.00 H new ATOM 0 HA LEU A 6 14.863 -10.558 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.506 -12.854 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.084 -13.021 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 6 12.699 -12.581 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.820 -11.039 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.916 -12.289 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.462 -10.632 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.806 -10.230 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.601 -9.779 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.413 -10.886 -2.990 1.00 0.00 H new ATOM 95 N LYS A 7 12.579 -11.240 2.019 1.00 0.00 N ATOM 96 CA LYS A 7 11.579 -10.658 2.904 1.00 0.00 C ATOM 97 C LYS A 7 12.173 -9.560 3.753 1.00 0.00 C ATOM 98 O LYS A 7 11.524 -8.566 4.016 1.00 0.00 O ATOM 99 CB LYS A 7 10.951 -11.734 3.794 1.00 0.00 C ATOM 100 CG LYS A 7 9.498 -12.039 3.458 1.00 0.00 C ATOM 101 CD LYS A 7 8.548 -10.910 3.896 1.00 0.00 C ATOM 102 CE LYS A 7 8.391 -10.846 5.417 1.00 0.00 C ATOM 103 NZ LYS A 7 7.398 -9.830 5.833 1.00 0.00 N ATOM 0 H LYS A 7 12.734 -12.236 2.172 1.00 0.00 H new ATOM 0 HA LYS A 7 10.799 -10.221 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.534 -12.651 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.014 -11.414 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.401 -12.196 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.202 -12.969 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.928 -9.956 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.571 -11.061 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.087 -11.824 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.355 -10.617 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.312 -9.833 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.709 -8.890 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.475 -10.052 5.408 1.00 0.00 H new ATOM 117 N ASN A 8 13.419 -9.736 4.149 1.00 0.00 N ATOM 118 CA ASN A 8 14.117 -8.746 4.966 1.00 0.00 C ATOM 119 C ASN A 8 14.286 -7.452 4.175 1.00 0.00 C ATOM 120 O ASN A 8 14.096 -6.351 4.703 1.00 0.00 O ATOM 121 CB ASN A 8 15.494 -9.262 5.402 1.00 0.00 C ATOM 122 CG ASN A 8 16.199 -8.331 6.380 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.559 -7.675 7.209 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.500 -8.243 6.284 1.00 0.00 N ATOM 0 H ASN A 8 13.977 -10.559 3.919 1.00 0.00 H new ATOM 0 HA ASN A 8 13.520 -8.559 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.379 -10.243 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.121 -9.396 4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.016 -7.619 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.999 -8.798 5.589 1.00 0.00 H new ATOM 131 N LYS A 9 14.627 -7.591 2.901 1.00 0.00 N ATOM 132 CA LYS A 9 14.785 -6.443 2.023 1.00 0.00 C ATOM 133 C LYS A 9 13.442 -5.774 1.786 1.00 0.00 C ATOM 134 O LYS A 9 13.358 -4.547 1.730 1.00 0.00 O ATOM 135 CB LYS A 9 15.451 -6.835 0.697 1.00 0.00 C ATOM 136 CG LYS A 9 16.858 -7.406 0.854 1.00 0.00 C ATOM 137 CD LYS A 9 17.786 -6.421 1.558 1.00 0.00 C ATOM 138 CE LYS A 9 19.195 -6.975 1.716 1.00 0.00 C ATOM 139 NZ LYS A 9 19.845 -7.241 0.419 1.00 0.00 N ATOM 0 H LYS A 9 14.800 -8.491 2.453 1.00 0.00 H new ATOM 0 HA LYS A 9 15.445 -5.729 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.826 -7.571 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.496 -5.958 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.813 -8.335 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.264 -7.652 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.824 -5.491 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.380 -6.179 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.799 -6.267 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.157 -7.897 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.855 -7.437 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.397 -8.064 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.742 -6.410 -0.198 1.00 0.00 H new ATOM 153 N ILE A 10 12.396 -6.587 1.668 1.00 0.00 N ATOM 154 CA ILE A 10 11.036 -6.085 1.549 1.00 0.00 C ATOM 155 C ILE A 10 10.683 -5.260 2.773 1.00 0.00 C ATOM 156 O ILE A 10 10.223 -4.131 2.639 1.00 0.00 O ATOM 157 CB ILE A 10 10.003 -7.235 1.348 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.210 -7.877 -0.023 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.556 -6.748 1.518 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.239 -8.982 -0.343 1.00 0.00 C ATOM 0 H ILE A 10 12.469 -7.604 1.652 1.00 0.00 H new ATOM 0 HA ILE A 10 10.990 -5.454 0.661 1.00 0.00 H new ATOM 0 HB ILE A 10 10.172 -7.983 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.129 -7.105 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.224 -8.274 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.871 -7.583 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.423 -6.345 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.345 -5.970 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.456 -9.382 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.334 -9.776 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.222 -8.589 -0.326 1.00 0.00 H new ATOM 172 N GLU A 11 10.948 -5.816 3.958 1.00 0.00 N ATOM 173 CA GLU A 11 10.701 -5.124 5.218 1.00 0.00 C ATOM 174 C GLU A 11 11.387 -3.776 5.231 1.00 0.00 C ATOM 175 O GLU A 11 10.748 -2.760 5.456 1.00 0.00 O ATOM 176 CB GLU A 11 11.165 -5.951 6.425 1.00 0.00 C ATOM 177 CG GLU A 11 10.420 -7.254 6.602 1.00 0.00 C ATOM 178 CD GLU A 11 8.940 -7.044 6.687 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.443 -6.621 7.746 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.227 -7.302 5.702 1.00 0.00 O ATOM 0 H GLU A 11 11.337 -6.752 4.067 1.00 0.00 H new ATOM 0 HA GLU A 11 9.623 -4.982 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.229 -6.164 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.049 -5.352 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.645 -7.917 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.769 -7.751 7.507 1.00 0.00 H new ATOM 187 N ASN A 12 12.669 -3.786 4.932 1.00 0.00 N ATOM 188 CA ASN A 12 13.488 -2.605 4.889 1.00 0.00 C ATOM 189 C ASN A 12 12.948 -1.560 3.926 1.00 0.00 C ATOM 190 O ASN A 12 12.780 -0.407 4.299 1.00 0.00 O ATOM 191 CB ASN A 12 14.914 -2.989 4.503 1.00 0.00 C ATOM 192 CG ASN A 12 15.794 -3.374 5.681 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.499 -2.537 6.240 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.773 -4.624 6.067 1.00 0.00 N ATOM 0 H ASN A 12 13.178 -4.641 4.707 1.00 0.00 H new ATOM 0 HA ASN A 12 13.477 -2.158 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.877 -3.824 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.374 -2.152 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.352 -4.925 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.178 -5.297 5.584 1.00 0.00 H new ATOM 201 N LYS A 13 12.619 -1.978 2.716 1.00 0.00 N ATOM 202 CA LYS A 13 12.182 -1.050 1.680 1.00 0.00 C ATOM 203 C LYS A 13 10.811 -0.466 2.016 1.00 0.00 C ATOM 204 O LYS A 13 10.571 0.730 1.839 1.00 0.00 O ATOM 205 CB LYS A 13 12.159 -1.754 0.325 1.00 0.00 C ATOM 206 CG LYS A 13 12.399 -0.830 -0.867 1.00 0.00 C ATOM 207 CD LYS A 13 13.747 -0.096 -0.747 1.00 0.00 C ATOM 208 CE LYS A 13 14.908 -1.064 -0.514 1.00 0.00 C ATOM 209 NZ LYS A 13 16.182 -0.364 -0.292 1.00 0.00 N ATOM 0 H LYS A 13 12.645 -2.955 2.424 1.00 0.00 H new ATOM 0 HA LYS A 13 12.890 -0.223 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.918 -2.536 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.194 -2.246 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.380 -1.411 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.591 -0.101 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.930 0.477 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.699 0.618 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.686 -1.693 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.005 -1.726 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.942 -1.061 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.400 0.230 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.106 0.235 0.555 1.00 0.00 H new ATOM 223 N LYS A 14 9.939 -1.323 2.507 1.00 0.00 N ATOM 224 CA LYS A 14 8.631 -0.965 2.985 1.00 0.00 C ATOM 225 C LYS A 14 8.766 0.060 4.117 1.00 0.00 C ATOM 226 O LYS A 14 8.101 1.076 4.112 1.00 0.00 O ATOM 227 CB LYS A 14 7.924 -2.257 3.455 1.00 0.00 C ATOM 228 CG LYS A 14 6.602 -2.068 4.194 1.00 0.00 C ATOM 229 CD LYS A 14 6.086 -3.389 4.796 1.00 0.00 C ATOM 230 CE LYS A 14 6.955 -3.889 5.945 1.00 0.00 C ATOM 231 NZ LYS A 14 6.502 -5.214 6.470 1.00 0.00 N ATOM 0 H LYS A 14 10.134 -2.321 2.584 1.00 0.00 H new ATOM 0 HA LYS A 14 8.033 -0.504 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.743 -2.886 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.606 -2.804 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.732 -1.333 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.857 -1.666 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.066 -3.248 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.049 -4.149 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.988 -3.970 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.940 -3.157 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.082 -5.478 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.504 -5.151 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.605 -5.935 5.728 1.00 0.00 H new ATOM 245 N LYS A 15 9.670 -0.205 5.050 1.00 0.00 N ATOM 246 CA LYS A 15 9.946 0.701 6.169 1.00 0.00 C ATOM 247 C LYS A 15 10.514 2.037 5.690 1.00 0.00 C ATOM 248 O LYS A 15 10.109 3.096 6.192 1.00 0.00 O ATOM 249 CB LYS A 15 10.858 0.025 7.192 1.00 0.00 C ATOM 250 CG LYS A 15 10.157 -1.066 7.999 1.00 0.00 C ATOM 251 CD LYS A 15 11.162 -2.028 8.608 1.00 0.00 C ATOM 252 CE LYS A 15 10.515 -3.044 9.535 1.00 0.00 C ATOM 253 NZ LYS A 15 9.889 -2.416 10.715 1.00 0.00 N ATOM 0 H LYS A 15 10.236 -1.054 5.057 1.00 0.00 H new ATOM 0 HA LYS A 15 9.001 0.927 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.714 -0.409 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.247 0.779 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.560 -0.611 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.469 -1.614 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.686 -2.553 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.911 -1.462 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.761 -3.605 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.267 -3.760 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.644 -3.150 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.555 -1.742 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.026 -1.913 10.424 1.00 0.00 H new ATOM 267 N GLU A 16 11.422 1.985 4.706 1.00 0.00 N ATOM 268 CA GLU A 16 11.971 3.188 4.064 1.00 0.00 C ATOM 269 C GLU A 16 10.838 4.034 3.472 1.00 0.00 C ATOM 270 O GLU A 16 10.862 5.278 3.528 1.00 0.00 O ATOM 271 CB GLU A 16 12.975 2.821 2.952 1.00 0.00 C ATOM 272 CG GLU A 16 14.311 2.259 3.417 1.00 0.00 C ATOM 273 CD GLU A 16 15.210 1.905 2.242 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.556 2.811 1.445 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.589 0.729 2.088 1.00 0.00 O ATOM 0 H GLU A 16 11.796 1.112 4.334 1.00 0.00 H new ATOM 0 HA GLU A 16 12.497 3.762 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.506 2.090 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.167 3.712 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.812 2.989 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.141 1.371 4.026 1.00 0.00 H new ATOM 282 N LEU A 17 9.844 3.351 2.935 1.00 0.00 N ATOM 283 CA LEU A 17 8.681 3.984 2.364 1.00 0.00 C ATOM 284 C LEU A 17 7.798 4.563 3.442 1.00 0.00 C ATOM 285 O LEU A 17 7.317 5.686 3.304 1.00 0.00 O ATOM 286 CB LEU A 17 7.921 2.987 1.444 1.00 0.00 C ATOM 287 CG LEU A 17 6.490 3.338 0.975 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.448 3.076 2.034 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.406 4.742 0.397 1.00 0.00 C ATOM 0 H LEU A 17 9.826 2.332 2.885 1.00 0.00 H new ATOM 0 HA LEU A 17 9.002 4.819 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.530 2.832 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.871 2.031 1.966 1.00 0.00 H new ATOM 0 HG LEU A 17 6.255 2.655 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.463 3.341 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.461 2.020 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.666 3.678 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.383 4.945 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.701 5.466 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.074 4.823 -0.461 1.00 0.00 H new ATOM 301 N ILE A 18 7.573 3.799 4.498 1.00 0.00 N ATOM 302 CA ILE A 18 6.730 4.241 5.598 1.00 0.00 C ATOM 303 C ILE A 18 7.263 5.560 6.141 1.00 0.00 C ATOM 304 O ILE A 18 6.505 6.471 6.397 1.00 0.00 O ATOM 305 CB ILE A 18 6.656 3.188 6.736 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.078 1.879 6.205 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.804 3.704 7.905 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.194 0.722 7.167 1.00 0.00 C ATOM 0 H ILE A 18 7.964 2.865 4.617 1.00 0.00 H new ATOM 0 HA ILE A 18 5.718 4.374 5.215 1.00 0.00 H new ATOM 0 HB ILE A 18 7.667 3.009 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.027 2.031 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.587 1.619 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.767 2.948 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.246 4.618 8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.793 3.912 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.761 -0.171 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.245 0.541 7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.660 0.959 8.087 1.00 0.00 H new ATOM 320 N GLN A 19 8.586 5.649 6.231 1.00 0.00 N ATOM 321 CA GLN A 19 9.277 6.861 6.660 1.00 0.00 C ATOM 322 C GLN A 19 8.934 8.034 5.739 1.00 0.00 C ATOM 323 O GLN A 19 8.715 9.147 6.200 1.00 0.00 O ATOM 324 CB GLN A 19 10.783 6.642 6.651 1.00 0.00 C ATOM 325 CG GLN A 19 11.280 5.617 7.648 1.00 0.00 C ATOM 326 CD GLN A 19 12.769 5.355 7.519 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.345 5.454 6.422 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.411 5.033 8.614 1.00 0.00 N ATOM 0 H GLN A 19 9.214 4.877 6.007 1.00 0.00 H new ATOM 0 HA GLN A 19 8.949 7.094 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.085 6.332 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.276 7.593 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.061 5.962 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.736 4.683 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.907 4.961 9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.415 4.855 8.583 1.00 0.00 H new ATOM 337 N LEU A 20 8.859 7.763 4.445 1.00 0.00 N ATOM 338 CA LEU A 20 8.541 8.781 3.458 1.00 0.00 C ATOM 339 C LEU A 20 7.090 9.241 3.588 1.00 0.00 C ATOM 340 O LEU A 20 6.821 10.449 3.629 1.00 0.00 O ATOM 341 CB LEU A 20 8.838 8.294 2.041 1.00 0.00 C ATOM 342 CG LEU A 20 10.305 7.984 1.734 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.441 7.433 0.339 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.164 9.231 1.884 1.00 0.00 C ATOM 0 H LEU A 20 9.016 6.835 4.052 1.00 0.00 H new ATOM 0 HA LEU A 20 9.183 9.640 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.250 7.395 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.492 9.051 1.337 1.00 0.00 H new ATOM 0 HG LEU A 20 10.651 7.237 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.489 7.217 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.858 6.516 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.074 8.166 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.203 8.986 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.815 9.998 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.090 9.603 2.906 1.00 0.00 H new ATOM 356 N VAL A 21 6.155 8.290 3.661 1.00 0.00 N ATOM 357 CA VAL A 21 4.741 8.643 3.869 1.00 0.00 C ATOM 358 C VAL A 21 4.559 9.355 5.236 1.00 0.00 C ATOM 359 O VAL A 21 3.752 10.281 5.376 1.00 0.00 O ATOM 360 CB VAL A 21 3.823 7.397 3.820 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.351 7.794 3.802 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.159 6.535 2.630 1.00 0.00 C ATOM 0 H VAL A 21 6.341 7.290 3.582 1.00 0.00 H new ATOM 0 HA VAL A 21 4.454 9.313 3.059 1.00 0.00 H new ATOM 0 HB VAL A 21 3.999 6.817 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.733 6.897 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.116 8.362 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.150 8.407 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.503 5.665 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.022 7.110 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.196 6.206 2.700 1.00 0.00 H new ATOM 372 N ALA A 22 5.334 8.931 6.218 1.00 0.00 N ATOM 373 CA ALA A 22 5.295 9.507 7.548 1.00 0.00 C ATOM 374 C ALA A 22 5.765 10.958 7.542 1.00 0.00 C ATOM 375 O ALA A 22 5.039 11.854 8.004 1.00 0.00 O ATOM 376 CB ALA A 22 6.125 8.679 8.513 1.00 0.00 C ATOM 0 H ALA A 22 6.010 8.175 6.114 1.00 0.00 H new ATOM 0 HA ALA A 22 4.258 9.497 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.083 9.127 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.729 7.664 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.160 8.650 8.171 1.00 0.00 H new ATOM 382 N ARG A 23 6.944 11.205 6.962 1.00 0.00 N ATOM 383 CA ARG A 23 7.525 12.553 6.908 1.00 0.00 C ATOM 384 C ARG A 23 6.687 13.508 6.068 1.00 0.00 C ATOM 385 O ARG A 23 6.853 14.719 6.167 1.00 0.00 O ATOM 386 CB ARG A 23 8.993 12.558 6.456 1.00 0.00 C ATOM 387 CG ARG A 23 9.236 12.043 5.055 1.00 0.00 C ATOM 388 CD ARG A 23 10.712 12.084 4.697 1.00 0.00 C ATOM 389 NE ARG A 23 11.238 13.457 4.675 1.00 0.00 N ATOM 390 CZ ARG A 23 12.531 13.795 4.548 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.470 12.847 4.483 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.870 15.085 4.492 1.00 0.00 N ATOM 0 H ARG A 23 7.518 10.486 6.521 1.00 0.00 H new ATOM 0 HA ARG A 23 7.512 12.918 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.374 13.577 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.574 11.955 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.869 11.020 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.670 12.643 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.276 11.492 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.861 11.624 3.720 1.00 0.00 H new ATOM 0 HE ARG A 23 10.563 14.217 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.205 11.863 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.452 13.107 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.149 15.805 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.850 15.351 4.396 1.00 0.00 H new ATOM 406 N HIS A 24 5.824 12.953 5.216 1.00 0.00 N ATOM 407 CA HIS A 24 4.866 13.743 4.452 1.00 0.00 C ATOM 408 C HIS A 24 4.016 14.591 5.416 1.00 0.00 C ATOM 409 O HIS A 24 3.812 15.796 5.200 1.00 0.00 O ATOM 410 CB HIS A 24 3.959 12.814 3.605 1.00 0.00 C ATOM 411 CG HIS A 24 2.864 13.529 2.854 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.598 13.764 3.360 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.876 14.081 1.626 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.906 14.436 2.444 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.636 14.657 1.365 1.00 0.00 N ATOM 0 H HIS A 24 5.772 11.950 5.039 1.00 0.00 H new ATOM 0 HA HIS A 24 5.405 14.406 3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.580 12.273 2.891 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.507 12.070 4.262 1.00 0.00 H new ATOM 0 HD1 HIS A 24 1.255 13.473 4.275 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.717 14.077 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.117 14.758 2.566 1.00 0.00 H new ATOM 423 N GLY A 25 3.547 13.961 6.476 1.00 0.00 N ATOM 424 CA GLY A 25 2.768 14.670 7.456 1.00 0.00 C ATOM 425 C GLY A 25 1.899 13.767 8.297 1.00 0.00 C ATOM 426 O GLY A 25 0.836 14.179 8.751 1.00 0.00 O ATOM 0 H GLY A 25 3.693 12.971 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.439 15.227 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.137 15.400 6.949 1.00 0.00 H new ATOM 430 N LEU A 26 2.336 12.548 8.531 1.00 0.00 N ATOM 431 CA LEU A 26 1.553 11.658 9.350 1.00 0.00 C ATOM 432 C LEU A 26 2.007 11.706 10.747 1.00 0.00 C ATOM 433 O LEU A 26 3.198 11.855 11.031 1.00 0.00 O ATOM 434 CB LEU A 26 1.584 10.199 8.893 1.00 0.00 C ATOM 435 CG LEU A 26 0.972 9.892 7.564 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.955 8.403 7.278 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.389 10.539 7.376 1.00 0.00 C ATOM 0 H LEU A 26 3.209 12.160 8.174 1.00 0.00 H new ATOM 0 HA LEU A 26 0.528 12.015 9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.624 9.873 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.077 9.597 9.647 1.00 0.00 H new ATOM 0 HG LEU A 26 1.619 10.348 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.502 8.225 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.976 8.021 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.375 7.892 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.782 10.280 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.072 10.180 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.291 11.622 7.454 1.00 0.00 H new ATOM 449 N ASP A 27 1.075 11.581 11.605 1.00 0.00 N ATOM 450 CA ASP A 27 1.353 11.468 13.001 1.00 0.00 C ATOM 451 C ASP A 27 1.603 10.017 13.273 1.00 0.00 C ATOM 452 O ASP A 27 1.335 9.177 12.402 1.00 0.00 O ATOM 453 CB ASP A 27 0.199 11.985 13.851 1.00 0.00 C ATOM 454 CG ASP A 27 -0.050 13.454 13.658 1.00 0.00 C ATOM 455 OD1 ASP A 27 0.716 14.277 14.194 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.026 13.815 12.979 1.00 0.00 O ATOM 0 H ASP A 27 0.083 11.553 11.369 1.00 0.00 H new ATOM 0 HA ASP A 27 2.219 12.075 13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.706 11.431 13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.412 11.792 14.902 1.00 0.00 H new ATOM 461 N HIS A 28 2.059 9.695 14.449 1.00 0.00 N ATOM 462 CA HIS A 28 2.443 8.326 14.764 1.00 0.00 C ATOM 463 C HIS A 28 1.301 7.346 14.632 1.00 0.00 C ATOM 464 O HIS A 28 1.501 6.243 14.149 1.00 0.00 O ATOM 465 CB HIS A 28 3.134 8.219 16.117 1.00 0.00 C ATOM 466 CG HIS A 28 4.485 8.861 16.121 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.765 10.061 16.722 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.649 8.437 15.576 1.00 0.00 C ATOM 469 CE1 HIS A 28 6.050 10.333 16.529 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.643 9.372 15.838 1.00 0.00 N ATOM 0 H HIS A 28 2.179 10.356 15.217 1.00 0.00 H new ATOM 0 HA HIS A 28 3.175 8.040 14.008 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.510 8.687 16.878 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.234 7.168 16.389 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.784 7.518 15.025 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.547 11.222 16.889 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.623 9.327 15.557 1.00 0.00 H new ATOM 478 N ASP A 29 0.100 7.772 14.985 1.00 0.00 N ATOM 479 CA ASP A 29 -1.076 6.922 14.879 1.00 0.00 C ATOM 480 C ASP A 29 -1.347 6.596 13.423 1.00 0.00 C ATOM 481 O ASP A 29 -1.682 5.471 13.084 1.00 0.00 O ATOM 482 CB ASP A 29 -2.320 7.557 15.540 1.00 0.00 C ATOM 483 CG ASP A 29 -2.876 8.793 14.846 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.754 8.648 13.960 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.479 9.931 15.201 1.00 0.00 O ATOM 0 H ASP A 29 -0.088 8.706 15.349 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.869 6.000 15.422 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.107 6.805 15.588 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.068 7.821 16.567 1.00 0.00 H new ATOM 490 N LYS A 30 -1.119 7.575 12.569 1.00 0.00 N ATOM 491 CA LYS A 30 -1.291 7.419 11.134 1.00 0.00 C ATOM 492 C LYS A 30 -0.251 6.468 10.582 1.00 0.00 C ATOM 493 O LYS A 30 -0.572 5.587 9.800 1.00 0.00 O ATOM 494 CB LYS A 30 -1.227 8.781 10.423 1.00 0.00 C ATOM 495 CG LYS A 30 -2.379 9.716 10.759 1.00 0.00 C ATOM 496 CD LYS A 30 -3.726 9.105 10.392 1.00 0.00 C ATOM 497 CE LYS A 30 -4.880 10.023 10.768 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.897 10.327 12.214 1.00 0.00 N ATOM 0 H LYS A 30 -0.808 8.505 12.850 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.277 6.994 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.289 9.271 10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.211 8.615 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.362 9.946 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.250 10.659 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.755 8.904 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.842 8.147 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.803 10.952 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.823 9.555 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.841 10.670 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.673 9.466 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.189 11.060 12.423 1.00 0.00 H new ATOM 512 N VAL A 31 0.987 6.644 11.017 1.00 0.00 N ATOM 513 CA VAL A 31 2.081 5.781 10.625 1.00 0.00 C ATOM 514 C VAL A 31 1.797 4.331 11.053 1.00 0.00 C ATOM 515 O VAL A 31 1.987 3.404 10.272 1.00 0.00 O ATOM 516 CB VAL A 31 3.426 6.269 11.237 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.584 5.390 10.809 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.693 7.710 10.851 1.00 0.00 C ATOM 0 H VAL A 31 1.258 7.393 11.654 1.00 0.00 H new ATOM 0 HA VAL A 31 2.169 5.819 9.539 1.00 0.00 H new ATOM 0 HB VAL A 31 3.337 6.202 12.321 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.507 5.761 11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.406 4.367 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.673 5.409 9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.638 8.035 11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.748 7.792 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.886 8.342 11.222 1.00 0.00 H new ATOM 528 N LEU A 32 1.309 4.153 12.278 1.00 0.00 N ATOM 529 CA LEU A 32 0.973 2.826 12.808 1.00 0.00 C ATOM 530 C LEU A 32 -0.124 2.182 11.998 1.00 0.00 C ATOM 531 O LEU A 32 -0.016 1.022 11.619 1.00 0.00 O ATOM 532 CB LEU A 32 0.564 2.903 14.282 1.00 0.00 C ATOM 533 CG LEU A 32 1.598 3.510 15.232 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.121 3.441 16.664 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.962 2.860 15.064 1.00 0.00 C ATOM 0 H LEU A 32 1.135 4.917 12.931 1.00 0.00 H new ATOM 0 HA LEU A 32 1.869 2.209 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.354 3.487 14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.329 1.896 14.627 1.00 0.00 H new ATOM 0 HG LEU A 32 1.712 4.562 14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.874 3.879 17.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.187 3.994 16.763 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.958 2.400 16.943 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.670 3.317 15.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.885 1.793 15.275 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.310 3.003 14.041 1.00 0.00 H new ATOM 547 N LEU A 33 -1.154 2.944 11.704 1.00 0.00 N ATOM 548 CA LEU A 33 -2.271 2.457 10.917 1.00 0.00 C ATOM 549 C LEU A 33 -1.831 2.120 9.502 1.00 0.00 C ATOM 550 O LEU A 33 -2.148 1.046 8.991 1.00 0.00 O ATOM 551 CB LEU A 33 -3.390 3.484 10.892 1.00 0.00 C ATOM 552 CG LEU A 33 -4.057 3.791 12.233 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.996 4.966 12.090 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.803 2.572 12.765 1.00 0.00 C ATOM 0 H LEU A 33 -1.243 3.916 12.001 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.644 1.545 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.992 4.414 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.157 3.137 10.200 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.279 4.048 12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.465 5.176 13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.436 5.841 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.765 4.730 11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.268 2.818 13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.573 2.277 12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.102 1.749 12.904 1.00 0.00 H new ATOM 566 N PHE A 34 -1.070 3.019 8.897 1.00 0.00 N ATOM 567 CA PHE A 34 -0.578 2.829 7.549 1.00 0.00 C ATOM 568 C PHE A 34 0.306 1.601 7.456 1.00 0.00 C ATOM 569 O PHE A 34 0.057 0.724 6.648 1.00 0.00 O ATOM 570 CB PHE A 34 0.183 4.075 7.052 1.00 0.00 C ATOM 571 CG PHE A 34 0.822 3.892 5.698 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.048 3.851 4.551 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.199 3.733 5.581 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.630 3.659 3.318 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.780 3.537 4.347 1.00 0.00 C ATOM 576 CZ PHE A 34 1.995 3.502 3.222 1.00 0.00 C ATOM 0 H PHE A 34 -0.779 3.896 9.328 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.444 2.677 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.507 4.918 7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.955 4.332 7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.023 3.971 4.624 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.818 3.763 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.018 3.632 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.850 3.411 4.266 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.451 3.350 2.255 1.00 0.00 H new ATOM 586 N SER A 35 1.297 1.527 8.320 1.00 0.00 N ATOM 587 CA SER A 35 2.270 0.457 8.291 1.00 0.00 C ATOM 588 C SER A 35 1.626 -0.923 8.478 1.00 0.00 C ATOM 589 O SER A 35 2.017 -1.886 7.821 1.00 0.00 O ATOM 590 CB SER A 35 3.362 0.712 9.335 1.00 0.00 C ATOM 591 OG SER A 35 2.807 0.859 10.635 1.00 0.00 O ATOM 0 H SER A 35 1.450 2.209 9.063 1.00 0.00 H new ATOM 0 HA SER A 35 2.726 0.449 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.072 -0.115 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.918 1.611 9.071 1.00 0.00 H new ATOM 0 HG SER A 35 2.432 1.759 10.731 1.00 0.00 H new ATOM 597 N ARG A 36 0.641 -1.013 9.357 1.00 0.00 N ATOM 598 CA ARG A 36 -0.021 -2.283 9.613 1.00 0.00 C ATOM 599 C ARG A 36 -0.965 -2.674 8.477 1.00 0.00 C ATOM 600 O ARG A 36 -1.108 -3.862 8.158 1.00 0.00 O ATOM 601 CB ARG A 36 -0.742 -2.285 10.962 1.00 0.00 C ATOM 602 CG ARG A 36 -1.893 -1.314 11.080 1.00 0.00 C ATOM 603 CD ARG A 36 -2.439 -1.277 12.486 1.00 0.00 C ATOM 604 NE ARG A 36 -2.943 -2.596 12.908 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.878 -2.816 13.840 1.00 0.00 C ATOM 606 NH1 ARG A 36 -4.410 -1.794 14.514 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.275 -4.058 14.094 1.00 0.00 N ATOM 0 H ARG A 36 0.284 -0.228 9.902 1.00 0.00 H new ATOM 0 HA ARG A 36 0.760 -3.042 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.116 -3.291 11.154 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.016 -2.060 11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.561 -0.317 10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.685 -1.600 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.658 -0.949 13.172 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.243 -0.544 12.545 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.544 -3.414 12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.104 -0.841 14.320 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.122 -1.967 15.223 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.868 -4.839 13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.987 -4.231 14.803 1.00 0.00 H new ATOM 621 N ASP A 37 -1.600 -1.687 7.860 1.00 0.00 N ATOM 622 CA ASP A 37 -2.522 -1.954 6.755 1.00 0.00 C ATOM 623 C ASP A 37 -1.692 -2.358 5.545 1.00 0.00 C ATOM 624 O ASP A 37 -1.978 -3.341 4.868 1.00 0.00 O ATOM 625 CB ASP A 37 -3.354 -0.701 6.440 1.00 0.00 C ATOM 626 CG ASP A 37 -4.577 -0.991 5.596 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.456 -1.484 4.472 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.704 -0.740 6.059 1.00 0.00 O ATOM 0 H ASP A 37 -1.498 -0.701 8.100 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.214 -2.753 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.668 -0.237 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.726 0.023 5.921 1.00 0.00 H new ATOM 633 N LEU A 38 -0.623 -1.612 5.336 1.00 0.00 N ATOM 634 CA LEU A 38 0.366 -1.873 4.300 1.00 0.00 C ATOM 635 C LEU A 38 0.929 -3.273 4.444 1.00 0.00 C ATOM 636 O LEU A 38 1.043 -4.015 3.468 1.00 0.00 O ATOM 637 CB LEU A 38 1.484 -0.818 4.420 1.00 0.00 C ATOM 638 CG LEU A 38 2.815 -1.069 3.705 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.638 -1.247 2.223 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.764 0.073 3.986 1.00 0.00 C ATOM 0 H LEU A 38 -0.411 -0.786 5.895 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.098 -1.806 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.086 0.128 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.699 -0.684 5.480 1.00 0.00 H new ATOM 0 HG LEU A 38 3.232 -1.999 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.609 -1.422 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.986 -2.100 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.191 -0.348 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.711 -0.107 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.329 1.005 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.938 0.146 5.060 1.00 0.00 H new ATOM 652 N ASP A 39 1.243 -3.636 5.667 1.00 0.00 N ATOM 653 CA ASP A 39 1.815 -4.934 5.957 1.00 0.00 C ATOM 654 C ASP A 39 0.848 -6.055 5.586 1.00 0.00 C ATOM 655 O ASP A 39 1.262 -7.061 5.021 1.00 0.00 O ATOM 656 CB ASP A 39 2.227 -5.030 7.431 1.00 0.00 C ATOM 657 CG ASP A 39 3.028 -6.275 7.750 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.221 -6.346 7.348 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.517 -7.177 8.449 1.00 0.00 O ATOM 0 H ASP A 39 1.110 -3.044 6.487 1.00 0.00 H new ATOM 0 HA ASP A 39 2.711 -5.051 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.815 -4.151 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.332 -5.013 8.053 1.00 0.00 H new ATOM 664 N LYS A 40 -0.458 -5.843 5.814 1.00 0.00 N ATOM 665 CA LYS A 40 -1.433 -6.887 5.519 1.00 0.00 C ATOM 666 C LYS A 40 -1.606 -7.066 4.021 1.00 0.00 C ATOM 667 O LYS A 40 -1.795 -8.181 3.541 1.00 0.00 O ATOM 668 CB LYS A 40 -2.804 -6.667 6.182 1.00 0.00 C ATOM 669 CG LYS A 40 -3.786 -5.739 5.467 1.00 0.00 C ATOM 670 CD LYS A 40 -5.180 -5.883 6.062 1.00 0.00 C ATOM 671 CE LYS A 40 -6.228 -5.068 5.310 1.00 0.00 C ATOM 672 NZ LYS A 40 -6.025 -3.623 5.446 1.00 0.00 N ATOM 0 H LYS A 40 -0.849 -4.980 6.192 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.020 -7.797 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.282 -7.639 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.635 -6.272 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.451 -4.706 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.811 -5.976 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.468 -6.934 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.160 -5.567 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.202 -5.337 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.219 -5.328 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.915 -3.126 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.724 -3.405 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.292 -3.311 4.778 1.00 0.00 H new ATOM 686 N LEU A 41 -1.527 -5.964 3.290 1.00 0.00 N ATOM 687 CA LEU A 41 -1.632 -5.992 1.843 1.00 0.00 C ATOM 688 C LEU A 41 -0.470 -6.767 1.273 1.00 0.00 C ATOM 689 O LEU A 41 -0.614 -7.543 0.326 1.00 0.00 O ATOM 690 CB LEU A 41 -1.643 -4.572 1.292 1.00 0.00 C ATOM 691 CG LEU A 41 -1.631 -4.429 -0.238 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.834 -5.116 -0.877 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.573 -2.965 -0.626 1.00 0.00 C ATOM 0 H LEU A 41 -1.389 -5.032 3.682 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.563 -6.480 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.528 -4.065 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.776 -4.045 1.691 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.738 -4.927 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.791 -4.993 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.820 -6.178 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.753 -4.668 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.565 -2.877 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.445 -2.448 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.667 -2.516 -0.219 1.00 0.00 H new ATOM 705 N ILE A 42 0.658 -6.603 1.899 1.00 0.00 N ATOM 706 CA ILE A 42 1.847 -7.281 1.484 1.00 0.00 C ATOM 707 C ILE A 42 1.729 -8.751 1.805 1.00 0.00 C ATOM 708 O ILE A 42 1.939 -9.580 0.946 1.00 0.00 O ATOM 709 CB ILE A 42 3.120 -6.640 2.098 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.296 -5.243 1.507 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.363 -7.496 1.857 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.488 -4.493 2.014 1.00 0.00 C ATOM 0 H ILE A 42 0.778 -5.996 2.710 1.00 0.00 H new ATOM 0 HA ILE A 42 1.954 -7.177 0.404 1.00 0.00 H new ATOM 0 HB ILE A 42 2.996 -6.573 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.373 -5.329 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.400 -4.659 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.231 -7.011 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.223 -8.477 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.523 -7.612 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.531 -3.513 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.408 -4.369 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.395 -5.050 1.779 1.00 0.00 H new ATOM 724 N ASN A 43 1.303 -9.057 3.010 1.00 0.00 N ATOM 725 CA ASN A 43 1.119 -10.442 3.451 1.00 0.00 C ATOM 726 C ASN A 43 0.104 -11.168 2.590 1.00 0.00 C ATOM 727 O ASN A 43 0.253 -12.357 2.335 1.00 0.00 O ATOM 728 CB ASN A 43 0.708 -10.511 4.918 1.00 0.00 C ATOM 729 CG ASN A 43 1.770 -9.967 5.834 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.965 -10.049 5.541 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.363 -9.405 6.922 1.00 0.00 N ATOM 0 H ASN A 43 1.072 -8.361 3.719 1.00 0.00 H new ATOM 0 HA ASN A 43 2.082 -10.941 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.215 -9.949 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.496 -11.546 5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.039 -9.009 7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.365 -9.357 7.129 1.00 0.00 H new ATOM 738 N LYS A 44 -0.898 -10.435 2.128 1.00 0.00 N ATOM 739 CA LYS A 44 -1.942 -10.957 1.247 1.00 0.00 C ATOM 740 C LYS A 44 -1.340 -11.503 -0.044 1.00 0.00 C ATOM 741 O LYS A 44 -1.699 -12.586 -0.521 1.00 0.00 O ATOM 742 CB LYS A 44 -2.946 -9.843 0.921 1.00 0.00 C ATOM 743 CG LYS A 44 -4.084 -10.259 -0.014 1.00 0.00 C ATOM 744 CD LYS A 44 -5.003 -9.083 -0.359 1.00 0.00 C ATOM 745 CE LYS A 44 -5.623 -8.480 0.887 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.633 -7.440 0.581 1.00 0.00 N ATOM 0 H LYS A 44 -1.014 -9.447 2.355 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.453 -11.772 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.376 -9.476 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.409 -9.010 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.666 -10.674 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.668 -11.050 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.435 -8.319 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.791 -9.421 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.089 -9.271 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.837 -8.046 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.023 -7.063 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.186 -6.669 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.400 -7.857 0.015 1.00 0.00 H new ATOM 760 N PHE A 45 -0.432 -10.754 -0.596 1.00 0.00 N ATOM 761 CA PHE A 45 0.207 -11.126 -1.831 1.00 0.00 C ATOM 762 C PHE A 45 1.409 -12.047 -1.616 1.00 0.00 C ATOM 763 O PHE A 45 1.741 -12.884 -2.470 1.00 0.00 O ATOM 764 CB PHE A 45 0.582 -9.882 -2.630 1.00 0.00 C ATOM 765 CG PHE A 45 -0.595 -9.232 -3.317 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.530 -8.483 -2.607 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.771 -9.390 -4.679 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.605 -7.906 -3.252 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.843 -8.816 -5.326 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.762 -8.073 -4.612 1.00 0.00 C ATOM 0 H PHE A 45 -0.111 -9.868 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.512 -11.703 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.049 -9.158 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.327 -10.151 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.413 -8.352 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.058 -9.972 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.323 -7.324 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.965 -8.947 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.603 -7.623 -5.118 1.00 0.00 H new ATOM 780 N MET A 46 2.019 -11.922 -0.470 1.00 0.00 N ATOM 781 CA MET A 46 3.226 -12.650 -0.134 1.00 0.00 C ATOM 782 C MET A 46 2.945 -14.026 0.385 1.00 0.00 C ATOM 783 O MET A 46 3.769 -14.924 0.213 1.00 0.00 O ATOM 784 CB MET A 46 4.043 -11.891 0.913 1.00 0.00 C ATOM 785 CG MET A 46 4.749 -10.656 0.390 1.00 0.00 C ATOM 786 SD MET A 46 6.149 -11.042 -0.653 1.00 0.00 S ATOM 787 CE MET A 46 7.233 -11.809 0.550 1.00 0.00 C ATOM 0 H MET A 46 1.692 -11.304 0.273 1.00 0.00 H new ATOM 0 HA MET A 46 3.791 -12.742 -1.062 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.381 -11.597 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.787 -12.567 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.040 -10.050 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.086 -10.052 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.258 -11.790 0.180 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.176 -11.263 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.925 -12.842 0.711 1.00 0.00 H new ATOM 797 N ASN A 47 1.809 -14.225 1.020 1.00 0.00 N ATOM 798 CA ASN A 47 1.577 -15.505 1.655 1.00 0.00 C ATOM 799 C ASN A 47 0.122 -15.800 1.865 1.00 0.00 C ATOM 800 O ASN A 47 -0.503 -16.585 1.136 1.00 0.00 O ATOM 801 CB ASN A 47 2.340 -15.543 3.002 1.00 0.00 C ATOM 802 CG ASN A 47 2.418 -16.916 3.671 1.00 0.00 C ATOM 803 OD1 ASN A 47 1.551 -17.768 3.527 1.00 0.00 O ATOM 804 ND2 ASN A 47 3.455 -17.126 4.428 1.00 0.00 N ATOM 0 H ASN A 47 1.055 -13.543 1.110 1.00 0.00 H new ATOM 0 HA ASN A 47 1.949 -16.281 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.354 -15.180 2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.861 -14.848 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.558 -18.015 4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.165 -16.401 4.533 1.00 0.00 H new ATOM 811 N VAL A 48 -0.390 -15.137 2.804 1.00 0.00 N ATOM 812 CA VAL A 48 -1.717 -15.359 3.313 1.00 0.00 C ATOM 813 C VAL A 48 -2.767 -14.621 2.544 1.00 0.00 C ATOM 814 O VAL A 48 -2.894 -13.403 2.601 1.00 0.00 O ATOM 815 CB VAL A 48 -1.848 -15.082 4.831 1.00 0.00 C ATOM 816 CG1 VAL A 48 -1.051 -16.100 5.613 1.00 0.00 C ATOM 817 CG2 VAL A 48 -1.377 -13.680 5.193 1.00 0.00 C ATOM 0 H VAL A 48 0.104 -14.383 3.281 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.893 -16.425 3.168 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.904 -15.160 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.149 -15.897 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.427 -17.100 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.001 -16.038 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.485 -13.526 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.330 -13.565 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.978 -12.945 4.658 1.00 0.00 H new ATOM 827 N LYS A 49 -3.543 -15.362 1.865 1.00 0.00 N ATOM 828 CA LYS A 49 -4.562 -14.820 1.038 1.00 0.00 C ATOM 829 C LYS A 49 -5.840 -14.798 1.851 1.00 0.00 C ATOM 830 O LYS A 49 -6.780 -15.554 1.597 1.00 0.00 O ATOM 831 CB LYS A 49 -4.681 -15.684 -0.210 1.00 0.00 C ATOM 832 CG LYS A 49 -3.312 -16.002 -0.801 1.00 0.00 C ATOM 833 CD LYS A 49 -3.382 -17.031 -1.903 1.00 0.00 C ATOM 834 CE LYS A 49 -1.989 -17.538 -2.252 1.00 0.00 C ATOM 835 NZ LYS A 49 -1.334 -18.213 -1.092 1.00 0.00 N ATOM 0 H LYS A 49 -3.496 -16.381 1.861 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.340 -13.804 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.197 -16.612 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.289 -15.169 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.867 -15.087 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.654 -16.365 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.011 -17.865 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.848 -16.595 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.055 -18.235 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.371 -16.703 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.545 -18.800 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.972 -17.495 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.028 -18.815 -0.604 1.00 0.00 H new ATOM 849 N ASP A 50 -5.812 -13.975 2.886 1.00 0.00 N ATOM 850 CA ASP A 50 -6.892 -13.865 3.854 1.00 0.00 C ATOM 851 C ASP A 50 -8.108 -13.225 3.219 1.00 0.00 C ATOM 852 O ASP A 50 -8.188 -12.008 3.068 1.00 0.00 O ATOM 853 CB ASP A 50 -6.420 -13.087 5.096 1.00 0.00 C ATOM 854 CG ASP A 50 -7.425 -13.074 6.232 1.00 0.00 C ATOM 855 OD1 ASP A 50 -7.496 -14.072 6.991 1.00 0.00 O ATOM 856 OD2 ASP A 50 -8.136 -12.058 6.412 1.00 0.00 O ATOM 0 H ASP A 50 -5.026 -13.355 3.081 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.180 -14.864 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.488 -13.524 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.200 -12.059 4.807 1.00 0.00 H new ATOM 861 N LYS A 51 -9.023 -14.063 2.798 1.00 0.00 N ATOM 862 CA LYS A 51 -10.215 -13.625 2.097 1.00 0.00 C ATOM 863 C LYS A 51 -11.431 -13.730 2.970 1.00 0.00 C ATOM 864 O LYS A 51 -12.550 -13.430 2.549 1.00 0.00 O ATOM 865 CB LYS A 51 -10.422 -14.435 0.819 1.00 0.00 C ATOM 866 CG LYS A 51 -10.502 -15.936 1.072 1.00 0.00 C ATOM 867 CD LYS A 51 -10.825 -16.732 -0.178 1.00 0.00 C ATOM 868 CE LYS A 51 -12.222 -16.431 -0.695 1.00 0.00 C ATOM 869 NZ LYS A 51 -12.581 -17.283 -1.845 1.00 0.00 N ATOM 0 H LYS A 51 -8.966 -15.073 2.930 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.071 -12.578 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.339 -14.105 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.603 -14.231 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.552 -16.281 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.263 -16.131 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.094 -16.503 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.739 -17.797 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.945 -16.580 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.282 -15.383 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.541 -17.045 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.906 -17.122 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.549 -18.283 -1.560 1.00 0.00 H new ATOM 883 N VAL A 52 -11.215 -14.129 4.178 1.00 0.00 N ATOM 884 CA VAL A 52 -12.292 -14.299 5.124 1.00 0.00 C ATOM 885 C VAL A 52 -12.699 -12.969 5.749 1.00 0.00 C ATOM 886 O VAL A 52 -12.460 -12.690 6.929 1.00 0.00 O ATOM 887 CB VAL A 52 -12.008 -15.400 6.187 1.00 0.00 C ATOM 888 CG1 VAL A 52 -12.061 -16.770 5.531 1.00 0.00 C ATOM 889 CG2 VAL A 52 -10.642 -15.200 6.846 1.00 0.00 C ATOM 0 H VAL A 52 -10.290 -14.349 4.548 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.148 -14.665 4.558 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.772 -15.328 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.862 -17.539 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.050 -16.929 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.309 -16.826 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.475 -15.986 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.862 -15.243 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.615 -14.228 7.339 1.00 0.00 H new ATOM 899 N HIS A 53 -13.251 -12.128 4.917 1.00 0.00 N ATOM 900 CA HIS A 53 -13.662 -10.805 5.299 1.00 0.00 C ATOM 901 C HIS A 53 -15.049 -10.837 5.883 1.00 0.00 C ATOM 902 O HIS A 53 -15.991 -11.320 5.241 1.00 0.00 O ATOM 903 CB HIS A 53 -13.609 -9.847 4.097 1.00 0.00 C ATOM 904 CG HIS A 53 -12.232 -9.663 3.521 1.00 0.00 C ATOM 905 ND1 HIS A 53 -11.865 -10.040 2.245 1.00 0.00 N ATOM 906 CD2 HIS A 53 -11.132 -9.099 4.069 1.00 0.00 C ATOM 907 CE1 HIS A 53 -10.588 -9.703 2.066 1.00 0.00 C ATOM 908 NE2 HIS A 53 -10.094 -9.126 3.143 1.00 0.00 N ATOM 0 H HIS A 53 -13.431 -12.347 3.937 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.971 -10.438 6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.271 -10.223 3.317 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.996 -8.875 4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.069 -8.692 5.067 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.031 -9.880 1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.146 -8.772 3.271 1.00 0.00 H new ATOM 916 N LYS A 54 -15.170 -10.360 7.095 1.00 0.00 N ATOM 917 CA LYS A 54 -16.438 -10.303 7.768 1.00 0.00 C ATOM 918 C LYS A 54 -17.273 -9.184 7.198 1.00 0.00 C ATOM 919 O LYS A 54 -16.874 -8.025 7.232 1.00 0.00 O ATOM 920 CB LYS A 54 -16.245 -10.114 9.289 1.00 0.00 C ATOM 921 CG LYS A 54 -17.536 -9.865 10.082 1.00 0.00 C ATOM 922 CD LYS A 54 -18.542 -11.007 9.957 1.00 0.00 C ATOM 923 CE LYS A 54 -19.822 -10.672 10.713 1.00 0.00 C ATOM 924 NZ LYS A 54 -20.847 -11.737 10.623 1.00 0.00 N ATOM 0 H LYS A 54 -14.389 -10.000 7.643 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.958 -11.248 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.755 -11.001 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.569 -9.275 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.288 -9.720 11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.998 -8.941 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.769 -11.187 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.109 -11.926 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.582 -10.495 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.236 -9.744 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.693 -11.451 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.102 -11.890 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.467 -12.619 11.023 1.00 0.00 H new ATOM 938 N LEU A 55 -18.393 -9.539 6.643 1.00 0.00 N ATOM 939 CA LEU A 55 -19.325 -8.575 6.145 1.00 0.00 C ATOM 940 C LEU A 55 -20.448 -8.459 7.140 1.00 0.00 C ATOM 941 O LEU A 55 -21.190 -9.426 7.368 1.00 0.00 O ATOM 942 CB LEU A 55 -19.874 -8.994 4.786 1.00 0.00 C ATOM 943 CG LEU A 55 -18.850 -9.197 3.667 1.00 0.00 C ATOM 944 CD1 LEU A 55 -19.559 -9.603 2.402 1.00 0.00 C ATOM 945 CD2 LEU A 55 -18.030 -7.932 3.432 1.00 0.00 C ATOM 0 H LEU A 55 -18.686 -10.509 6.523 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.824 -7.615 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -20.428 -9.924 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -20.590 -8.239 4.460 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.162 -9.987 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.829 -9.747 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.100 -10.534 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.262 -8.822 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.311 -8.108 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -18.694 -7.115 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.498 -7.668 4.346 1.00 0.00 H new ATOM 957 N GLU A 56 -20.538 -7.330 7.781 1.00 0.00 N ATOM 958 CA GLU A 56 -21.570 -7.106 8.767 1.00 0.00 C ATOM 959 C GLU A 56 -22.868 -6.864 8.046 1.00 0.00 C ATOM 960 O GLU A 56 -23.868 -7.536 8.292 1.00 0.00 O ATOM 961 CB GLU A 56 -21.254 -5.918 9.681 1.00 0.00 C ATOM 962 CG GLU A 56 -19.814 -5.844 10.167 1.00 0.00 C ATOM 963 CD GLU A 56 -18.956 -5.019 9.243 1.00 0.00 C ATOM 964 OE1 GLU A 56 -18.667 -5.444 8.111 1.00 0.00 O ATOM 965 OE2 GLU A 56 -18.622 -3.894 9.606 1.00 0.00 O ATOM 0 H GLU A 56 -19.907 -6.541 7.641 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.635 -7.988 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.489 -4.997 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.912 -5.962 10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.789 -5.413 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.403 -6.851 10.243 1.00 0.00 H new ATOM 972 N HIS A 57 -22.849 -5.914 7.150 1.00 0.00 N ATOM 973 CA HIS A 57 -23.985 -5.656 6.319 1.00 0.00 C ATOM 974 C HIS A 57 -23.863 -6.515 5.093 1.00 0.00 C ATOM 975 O HIS A 57 -22.803 -6.558 4.458 1.00 0.00 O ATOM 976 CB HIS A 57 -24.095 -4.171 5.944 1.00 0.00 C ATOM 977 CG HIS A 57 -24.338 -3.271 7.118 1.00 0.00 C ATOM 978 ND1 HIS A 57 -23.550 -2.189 7.443 1.00 0.00 N ATOM 979 CD2 HIS A 57 -25.320 -3.303 8.042 1.00 0.00 C ATOM 980 CE1 HIS A 57 -24.063 -1.610 8.523 1.00 0.00 C ATOM 981 NE2 HIS A 57 -25.146 -2.247 8.934 1.00 0.00 N ATOM 0 H HIS A 57 -22.050 -5.303 6.979 1.00 0.00 H new ATOM 0 HA HIS A 57 -24.897 -5.900 6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -23.177 -3.862 5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -24.906 -4.045 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -26.116 -4.032 8.084 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -23.650 -0.735 9.002 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -25.732 -2.014 9.736 1.00 0.00 H new ATOM 989 N HIS A 58 -24.897 -7.219 4.780 1.00 0.00 N ATOM 990 CA HIS A 58 -24.870 -8.121 3.675 1.00 0.00 C ATOM 991 C HIS A 58 -26.001 -7.775 2.723 1.00 0.00 C ATOM 992 O HIS A 58 -27.180 -7.833 3.108 1.00 0.00 O ATOM 993 CB HIS A 58 -24.971 -9.566 4.195 1.00 0.00 C ATOM 994 CG HIS A 58 -24.786 -10.627 3.158 1.00 0.00 C ATOM 995 ND1 HIS A 58 -25.594 -11.731 3.038 1.00 0.00 N ATOM 996 CD2 HIS A 58 -23.830 -10.757 2.213 1.00 0.00 C ATOM 997 CE1 HIS A 58 -25.123 -12.483 2.049 1.00 0.00 C ATOM 998 NE2 HIS A 58 -24.044 -11.936 1.506 1.00 0.00 N ATOM 0 H HIS A 58 -25.785 -7.187 5.281 1.00 0.00 H new ATOM 0 HA HIS A 58 -23.932 -8.032 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -24.223 -9.708 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -25.947 -9.701 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -23.027 -10.057 2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -25.561 -13.417 1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -23.488 -12.302 0.733 1.00 0.00 H new ATOM 1006 N HIS A 59 -25.622 -7.361 1.517 1.00 0.00 N ATOM 1007 CA HIS A 59 -26.522 -6.956 0.427 1.00 0.00 C ATOM 1008 C HIS A 59 -27.102 -5.570 0.700 1.00 0.00 C ATOM 1009 O HIS A 59 -26.773 -4.606 0.013 1.00 0.00 O ATOM 1010 CB HIS A 59 -27.633 -8.000 0.159 1.00 0.00 C ATOM 1011 CG HIS A 59 -28.468 -7.732 -1.061 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -29.807 -7.434 -1.023 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -28.128 -7.751 -2.373 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -30.237 -7.283 -2.279 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -29.256 -7.466 -3.141 1.00 0.00 N ATOM 0 H HIS A 59 -24.638 -7.294 1.256 1.00 0.00 H new ATOM 0 HA HIS A 59 -25.929 -6.904 -0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -27.172 -8.983 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -28.289 -8.043 1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -27.141 -7.954 -2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -31.254 -7.043 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -29.311 -7.411 -4.158 1.00 0.00 H new ATOM 1023 N HIS A 60 -27.916 -5.469 1.718 1.00 0.00 N ATOM 1024 CA HIS A 60 -28.514 -4.210 2.077 1.00 0.00 C ATOM 1025 C HIS A 60 -27.699 -3.562 3.178 1.00 0.00 C ATOM 1026 O HIS A 60 -27.276 -4.227 4.126 1.00 0.00 O ATOM 1027 CB HIS A 60 -30.013 -4.353 2.468 1.00 0.00 C ATOM 1028 CG HIS A 60 -30.304 -5.223 3.666 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -30.857 -4.758 4.834 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -30.136 -6.554 3.841 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -31.002 -5.786 5.664 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -30.578 -6.908 5.107 1.00 0.00 N ATOM 0 H HIS A 60 -28.182 -6.250 2.317 1.00 0.00 H new ATOM 0 HA HIS A 60 -28.502 -3.562 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -30.414 -3.358 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -30.555 -4.755 1.612 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -31.112 -3.790 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -29.723 -7.234 3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -31.412 -5.715 6.661 1.00 0.00 H new ATOM 1040 N HIS A 61 -27.461 -2.288 3.038 1.00 0.00 N ATOM 1041 CA HIS A 61 -26.644 -1.538 3.988 1.00 0.00 C ATOM 1042 C HIS A 61 -27.431 -1.193 5.250 1.00 0.00 C ATOM 1043 O HIS A 61 -26.856 -0.870 6.286 1.00 0.00 O ATOM 1044 CB HIS A 61 -26.097 -0.246 3.325 1.00 0.00 C ATOM 1045 CG HIS A 61 -27.164 0.737 2.880 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -27.791 0.695 1.655 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -27.724 1.779 3.544 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -28.689 1.680 1.613 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -28.690 2.371 2.737 1.00 0.00 N ATOM 0 H HIS A 61 -27.822 -1.728 2.266 1.00 0.00 H new ATOM 0 HA HIS A 61 -25.806 -2.170 4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -25.432 0.254 4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -25.495 -0.524 2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.461 2.098 4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.331 1.885 0.769 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.277 3.173 2.967 1.00 0.00 H new ATOM 1057 N HIS A 62 -28.726 -1.247 5.152 1.00 0.00 N ATOM 1058 CA HIS A 62 -29.586 -0.884 6.235 1.00 0.00 C ATOM 1059 C HIS A 62 -30.660 -1.931 6.325 1.00 0.00 C ATOM 1060 O HIS A 62 -30.709 -2.675 7.310 1.00 0.00 O ATOM 1061 CB HIS A 62 -30.189 0.506 5.978 1.00 0.00 C ATOM 1062 CG HIS A 62 -30.912 1.104 7.147 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -32.257 1.398 7.156 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -30.428 1.529 8.341 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -32.545 1.985 8.322 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -31.461 2.093 9.082 1.00 0.00 N ATOM 1067 OXT HIS A 62 -31.396 -2.095 5.344 1.00 0.00 O ATOM 0 H HIS A 62 -29.218 -1.547 4.310 1.00 0.00 H new ATOM 0 HA HIS A 62 -29.036 -0.834 7.175 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -29.390 1.183 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -30.880 0.437 5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -29.401 1.443 8.665 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -33.529 2.326 8.608 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -31.399 2.503 10.014 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 10.288 21.945 0.889 1.00 0.00 N ATOM 1077 CA MET B 1 8.860 22.312 0.907 1.00 0.00 C ATOM 1078 C MET B 1 8.126 21.587 -0.198 1.00 0.00 C ATOM 1079 O MET B 1 7.021 21.090 -0.004 1.00 0.00 O ATOM 1080 CB MET B 1 8.692 23.821 0.733 1.00 0.00 C ATOM 1081 CG MET B 1 7.251 24.281 0.811 1.00 0.00 C ATOM 1082 SD MET B 1 7.068 26.048 0.549 1.00 0.00 S ATOM 1083 CE MET B 1 5.289 26.206 0.728 1.00 0.00 C ATOM 0 H1 MET B 1 10.782 22.435 1.662 1.00 0.00 H new ATOM 0 H2 MET B 1 10.384 20.917 1.013 1.00 0.00 H new ATOM 0 H3 MET B 1 10.707 22.224 -0.021 1.00 0.00 H new ATOM 0 HA MET B 1 8.441 22.021 1.870 1.00 0.00 H new ATOM 0 HB2 MET B 1 9.271 24.334 1.501 1.00 0.00 H new ATOM 0 HB3 MET B 1 9.108 24.116 -0.230 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.663 23.745 0.066 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.843 24.019 1.787 1.00 0.00 H new ATOM 0 HE1 MET B 1 5.001 27.249 0.594 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.792 25.593 -0.024 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.992 25.873 1.722 1.00 0.00 H new ATOM 1095 N GLU B 2 8.760 21.541 -1.348 1.00 0.00 N ATOM 1096 CA GLU B 2 8.274 20.887 -2.530 1.00 0.00 C ATOM 1097 C GLU B 2 7.927 19.428 -2.249 1.00 0.00 C ATOM 1098 O GLU B 2 8.784 18.599 -1.907 1.00 0.00 O ATOM 1099 CB GLU B 2 9.310 21.028 -3.685 1.00 0.00 C ATOM 1100 CG GLU B 2 10.712 20.405 -3.458 1.00 0.00 C ATOM 1101 CD GLU B 2 11.466 20.934 -2.244 1.00 0.00 C ATOM 1102 OE1 GLU B 2 11.285 22.121 -1.868 1.00 0.00 O ATOM 1103 OE2 GLU B 2 12.190 20.164 -1.593 1.00 0.00 O ATOM 0 H GLU B 2 9.670 21.981 -1.485 1.00 0.00 H new ATOM 0 HA GLU B 2 7.352 21.374 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.881 20.578 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU B 2 9.442 22.090 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU B 2 10.600 19.326 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU B 2 11.318 20.579 -4.347 1.00 0.00 H new ATOM 1110 N MET B 3 6.674 19.131 -2.347 1.00 0.00 N ATOM 1111 CA MET B 3 6.194 17.799 -2.069 1.00 0.00 C ATOM 1112 C MET B 3 6.202 16.952 -3.310 1.00 0.00 C ATOM 1113 O MET B 3 6.036 15.745 -3.237 1.00 0.00 O ATOM 1114 CB MET B 3 4.821 17.798 -1.393 1.00 0.00 C ATOM 1115 CG MET B 3 4.832 18.372 0.015 1.00 0.00 C ATOM 1116 SD MET B 3 3.204 18.353 0.799 1.00 0.00 S ATOM 1117 CE MET B 3 3.633 18.955 2.436 1.00 0.00 C ATOM 0 H MET B 3 5.949 19.794 -2.620 1.00 0.00 H new ATOM 0 HA MET B 3 6.887 17.355 -1.354 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.125 18.372 -2.004 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.445 16.776 -1.356 1.00 0.00 H new ATOM 0 HG2 MET B 3 5.531 17.803 0.628 1.00 0.00 H new ATOM 0 HG3 MET B 3 5.200 19.397 -0.020 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.735 19.004 3.052 1.00 0.00 H new ATOM 0 HE2 MET B 3 4.352 18.277 2.896 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.072 19.949 2.355 1.00 0.00 H new ATOM 1127 N GLY B 4 6.429 17.585 -4.448 1.00 0.00 N ATOM 1128 CA GLY B 4 6.539 16.865 -5.695 1.00 0.00 C ATOM 1129 C GLY B 4 7.747 15.962 -5.675 1.00 0.00 C ATOM 1130 O GLY B 4 7.674 14.802 -6.057 1.00 0.00 O ATOM 0 H GLY B 4 6.540 18.596 -4.529 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.638 16.275 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.617 17.569 -6.523 1.00 0.00 H new ATOM 1134 N GLN B 5 8.846 16.484 -5.156 1.00 0.00 N ATOM 1135 CA GLN B 5 10.074 15.717 -5.052 1.00 0.00 C ATOM 1136 C GLN B 5 9.961 14.670 -3.958 1.00 0.00 C ATOM 1137 O GLN B 5 10.531 13.591 -4.055 1.00 0.00 O ATOM 1138 CB GLN B 5 11.270 16.625 -4.809 1.00 0.00 C ATOM 1139 CG GLN B 5 11.559 17.585 -5.954 1.00 0.00 C ATOM 1140 CD GLN B 5 11.794 16.859 -7.266 1.00 0.00 C ATOM 1141 OE1 GLN B 5 10.854 16.617 -8.033 1.00 0.00 O ATOM 1142 NE2 GLN B 5 13.022 16.498 -7.529 1.00 0.00 N ATOM 0 H GLN B 5 8.912 17.438 -4.800 1.00 0.00 H new ATOM 0 HA GLN B 5 10.232 15.205 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.097 17.201 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.152 16.009 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.723 18.275 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN B 5 12.436 18.185 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.770 16.716 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.233 15.998 -8.393 1.00 0.00 H new ATOM 1151 N LEU B 6 9.188 14.988 -2.942 1.00 0.00 N ATOM 1152 CA LEU B 6 8.940 14.079 -1.838 1.00 0.00 C ATOM 1153 C LEU B 6 8.104 12.899 -2.355 1.00 0.00 C ATOM 1154 O LEU B 6 8.404 11.740 -2.079 1.00 0.00 O ATOM 1155 CB LEU B 6 8.256 14.866 -0.675 1.00 0.00 C ATOM 1156 CG LEU B 6 7.926 14.137 0.660 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.694 13.265 0.549 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.116 13.321 1.152 1.00 0.00 C ATOM 0 H LEU B 6 8.712 15.886 -2.856 1.00 0.00 H new ATOM 0 HA LEU B 6 9.865 13.666 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.898 15.713 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.322 15.274 -1.063 1.00 0.00 H new ATOM 0 HG LEU B 6 7.710 14.913 1.394 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.505 12.778 1.506 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.836 13.880 0.280 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.852 12.508 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.855 12.824 2.086 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.379 12.573 0.404 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.967 13.982 1.318 1.00 0.00 H new ATOM 1170 N LYS B 7 7.085 13.214 -3.136 1.00 0.00 N ATOM 1171 CA LYS B 7 6.246 12.210 -3.775 1.00 0.00 C ATOM 1172 C LYS B 7 7.043 11.385 -4.754 1.00 0.00 C ATOM 1173 O LYS B 7 6.829 10.188 -4.878 1.00 0.00 O ATOM 1174 CB LYS B 7 5.058 12.864 -4.470 1.00 0.00 C ATOM 1175 CG LYS B 7 3.740 12.574 -3.793 1.00 0.00 C ATOM 1176 CD LYS B 7 3.273 11.136 -4.041 1.00 0.00 C ATOM 1177 CE LYS B 7 2.753 10.952 -5.464 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.086 9.640 -5.649 1.00 0.00 N ATOM 0 H LYS B 7 6.814 14.175 -3.346 1.00 0.00 H new ATOM 0 HA LYS B 7 5.868 11.544 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.213 13.942 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.013 12.517 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.838 12.744 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.984 13.269 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.100 10.448 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.487 10.880 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.051 11.752 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.582 11.039 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.885 9.492 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.710 8.882 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.195 9.625 -5.113 1.00 0.00 H new ATOM 1192 N ASN B 8 7.974 12.031 -5.422 1.00 0.00 N ATOM 1193 CA ASN B 8 8.878 11.377 -6.365 1.00 0.00 C ATOM 1194 C ASN B 8 9.685 10.289 -5.649 1.00 0.00 C ATOM 1195 O ASN B 8 9.969 9.218 -6.215 1.00 0.00 O ATOM 1196 CB ASN B 8 9.820 12.421 -6.990 1.00 0.00 C ATOM 1197 CG ASN B 8 10.822 11.854 -7.981 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.569 10.862 -8.666 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.968 12.478 -8.068 1.00 0.00 N ATOM 0 H ASN B 8 8.132 13.034 -5.330 1.00 0.00 H new ATOM 0 HA ASN B 8 8.294 10.910 -7.158 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.219 13.178 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.364 12.925 -6.191 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.682 12.146 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.148 13.297 -7.487 1.00 0.00 H new ATOM 1206 N LYS B 9 10.040 10.564 -4.405 1.00 0.00 N ATOM 1207 CA LYS B 9 10.748 9.609 -3.577 1.00 0.00 C ATOM 1208 C LYS B 9 9.816 8.506 -3.124 1.00 0.00 C ATOM 1209 O LYS B 9 10.183 7.334 -3.170 1.00 0.00 O ATOM 1210 CB LYS B 9 11.388 10.286 -2.372 1.00 0.00 C ATOM 1211 CG LYS B 9 12.455 11.281 -2.742 1.00 0.00 C ATOM 1212 CD LYS B 9 13.113 11.873 -1.522 1.00 0.00 C ATOM 1213 CE LYS B 9 14.266 12.777 -1.914 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.287 12.060 -2.713 1.00 0.00 N ATOM 0 H LYS B 9 9.845 11.453 -3.944 1.00 0.00 H new ATOM 0 HA LYS B 9 11.544 9.173 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.614 10.792 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.821 9.524 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.208 10.794 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.017 12.078 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.380 12.440 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.476 11.074 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.885 13.622 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.729 13.184 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.182 12.589 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.435 11.111 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.962 11.976 -3.697 1.00 0.00 H new ATOM 1228 N ILE B 10 8.610 8.887 -2.700 1.00 0.00 N ATOM 1229 CA ILE B 10 7.589 7.926 -2.275 1.00 0.00 C ATOM 1230 C ILE B 10 7.309 6.928 -3.388 1.00 0.00 C ATOM 1231 O ILE B 10 7.340 5.725 -3.160 1.00 0.00 O ATOM 1232 CB ILE B 10 6.260 8.625 -1.838 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.491 9.465 -0.577 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.137 7.606 -1.613 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.255 10.172 -0.058 1.00 0.00 C ATOM 0 H ILE B 10 8.314 9.861 -2.641 1.00 0.00 H new ATOM 0 HA ILE B 10 7.984 7.402 -1.405 1.00 0.00 H new ATOM 0 HB ILE B 10 5.946 9.285 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.881 8.818 0.209 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.259 10.210 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.228 8.127 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.951 7.059 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.432 6.906 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.510 10.742 0.835 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.874 10.848 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.491 9.435 0.188 1.00 0.00 H new ATOM 1247 N GLU B 11 7.077 7.445 -4.589 1.00 0.00 N ATOM 1248 CA GLU B 11 6.817 6.622 -5.760 1.00 0.00 C ATOM 1249 C GLU B 11 7.951 5.663 -6.020 1.00 0.00 C ATOM 1250 O GLU B 11 7.737 4.463 -6.133 1.00 0.00 O ATOM 1251 CB GLU B 11 6.590 7.488 -6.999 1.00 0.00 C ATOM 1252 CG GLU B 11 5.315 8.294 -6.961 1.00 0.00 C ATOM 1253 CD GLU B 11 4.116 7.413 -6.827 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.763 6.737 -7.793 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.494 7.378 -5.740 1.00 0.00 O ATOM 0 H GLU B 11 7.064 8.448 -4.777 1.00 0.00 H new ATOM 0 HA GLU B 11 5.913 6.049 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.434 8.168 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.576 6.846 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.350 8.993 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.232 8.889 -7.871 1.00 0.00 H new ATOM 1262 N ASN B 12 9.150 6.197 -6.070 1.00 0.00 N ATOM 1263 CA ASN B 12 10.342 5.415 -6.366 1.00 0.00 C ATOM 1264 C ASN B 12 10.522 4.311 -5.323 1.00 0.00 C ATOM 1265 O ASN B 12 10.676 3.148 -5.677 1.00 0.00 O ATOM 1266 CB ASN B 12 11.577 6.333 -6.403 1.00 0.00 C ATOM 1267 CG ASN B 12 12.826 5.700 -7.031 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.037 4.491 -6.997 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.673 6.528 -7.599 1.00 0.00 N ATOM 0 H ASN B 12 9.333 7.187 -5.907 1.00 0.00 H new ATOM 0 HA ASN B 12 10.227 4.948 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.325 7.236 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.815 6.641 -5.385 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.528 6.170 -8.025 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.475 7.529 -7.615 1.00 0.00 H new ATOM 1276 N LYS B 13 10.415 4.674 -4.049 1.00 0.00 N ATOM 1277 CA LYS B 13 10.609 3.734 -2.942 1.00 0.00 C ATOM 1278 C LYS B 13 9.528 2.651 -2.957 1.00 0.00 C ATOM 1279 O LYS B 13 9.811 1.466 -2.755 1.00 0.00 O ATOM 1280 CB LYS B 13 10.573 4.482 -1.611 1.00 0.00 C ATOM 1281 CG LYS B 13 11.025 3.662 -0.404 1.00 0.00 C ATOM 1282 CD LYS B 13 12.471 3.217 -0.537 1.00 0.00 C ATOM 1283 CE LYS B 13 13.421 4.397 -0.661 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.802 3.956 -0.852 1.00 0.00 N ATOM 0 H LYS B 13 10.192 5.624 -3.752 1.00 0.00 H new ATOM 0 HA LYS B 13 11.581 3.256 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.206 5.366 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.556 4.833 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.909 4.255 0.503 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.383 2.787 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.747 2.619 0.331 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.574 2.575 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.118 5.022 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.356 5.014 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.428 4.785 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.087 3.352 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.875 3.417 -1.738 1.00 0.00 H new ATOM 1298 N LYS B 14 8.303 3.081 -3.206 1.00 0.00 N ATOM 1299 CA LYS B 14 7.139 2.214 -3.322 1.00 0.00 C ATOM 1300 C LYS B 14 7.411 1.159 -4.384 1.00 0.00 C ATOM 1301 O LYS B 14 7.240 -0.026 -4.162 1.00 0.00 O ATOM 1302 CB LYS B 14 5.941 3.077 -3.752 1.00 0.00 C ATOM 1303 CG LYS B 14 4.599 2.372 -3.853 1.00 0.00 C ATOM 1304 CD LYS B 14 3.520 3.321 -4.388 1.00 0.00 C ATOM 1305 CE LYS B 14 3.726 3.640 -5.857 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.815 4.700 -6.345 1.00 0.00 N ATOM 0 H LYS B 14 8.083 4.068 -3.337 1.00 0.00 H new ATOM 0 HA LYS B 14 6.928 1.724 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.842 3.900 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.169 3.518 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.687 1.507 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.306 1.998 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.538 2.869 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.531 4.245 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.758 3.953 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.573 2.736 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.218 5.138 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.889 4.284 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.697 5.423 -5.607 1.00 0.00 H new ATOM 1320 N LYS B 15 7.886 1.619 -5.515 1.00 0.00 N ATOM 1321 CA LYS B 15 8.182 0.775 -6.656 1.00 0.00 C ATOM 1322 C LYS B 15 9.398 -0.109 -6.396 1.00 0.00 C ATOM 1323 O LYS B 15 9.439 -1.244 -6.859 1.00 0.00 O ATOM 1324 CB LYS B 15 8.321 1.628 -7.925 1.00 0.00 C ATOM 1325 CG LYS B 15 7.031 2.388 -8.249 1.00 0.00 C ATOM 1326 CD LYS B 15 7.189 3.405 -9.375 1.00 0.00 C ATOM 1327 CE LYS B 15 7.388 2.752 -10.731 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.427 3.757 -11.811 1.00 0.00 N ATOM 0 H LYS B 15 8.083 2.607 -5.676 1.00 0.00 H new ATOM 0 HA LYS B 15 7.347 0.093 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.138 2.338 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.585 0.987 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.256 1.672 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.687 2.902 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.306 4.043 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.040 4.051 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.317 2.181 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.580 2.045 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.564 3.280 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.531 4.284 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.214 4.416 -11.644 1.00 0.00 H new ATOM 1342 N GLU B 16 10.368 0.401 -5.620 1.00 0.00 N ATOM 1343 CA GLU B 16 11.522 -0.401 -5.201 1.00 0.00 C ATOM 1344 C GLU B 16 11.029 -1.605 -4.414 1.00 0.00 C ATOM 1345 O GLU B 16 11.489 -2.741 -4.618 1.00 0.00 O ATOM 1346 CB GLU B 16 12.514 0.405 -4.326 1.00 0.00 C ATOM 1347 CG GLU B 16 13.256 1.521 -5.028 1.00 0.00 C ATOM 1348 CD GLU B 16 14.299 2.156 -4.138 1.00 0.00 C ATOM 1349 OE1 GLU B 16 13.991 3.115 -3.410 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.455 1.688 -4.144 1.00 0.00 O ATOM 0 H GLU B 16 10.374 1.360 -5.273 1.00 0.00 H new ATOM 0 HA GLU B 16 12.053 -0.712 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.965 0.831 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.246 -0.287 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.735 1.129 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.545 2.281 -5.352 1.00 0.00 H new ATOM 1357 N LEU B 17 10.061 -1.345 -3.547 1.00 0.00 N ATOM 1358 CA LEU B 17 9.441 -2.364 -2.739 1.00 0.00 C ATOM 1359 C LEU B 17 8.654 -3.319 -3.608 1.00 0.00 C ATOM 1360 O LEU B 17 8.790 -4.525 -3.475 1.00 0.00 O ATOM 1361 CB LEU B 17 8.484 -1.745 -1.746 1.00 0.00 C ATOM 1362 CG LEU B 17 7.619 -2.739 -0.994 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.305 -3.394 0.137 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.285 -2.186 -0.669 1.00 0.00 C ATOM 0 H LEU B 17 9.686 -0.409 -3.389 1.00 0.00 H new ATOM 0 HA LEU B 17 10.234 -2.896 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.057 -1.164 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.835 -1.046 -2.274 1.00 0.00 H new ATOM 0 HG LEU B 17 7.431 -3.562 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.621 -4.090 0.624 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.175 -3.938 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.626 -2.639 0.855 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.702 -2.934 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.401 -1.299 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.768 -1.917 -1.590 1.00 0.00 H new ATOM 1376 N ILE B 18 7.819 -2.762 -4.483 1.00 0.00 N ATOM 1377 CA ILE B 18 6.975 -3.550 -5.378 1.00 0.00 C ATOM 1378 C ILE B 18 7.809 -4.537 -6.165 1.00 0.00 C ATOM 1379 O ILE B 18 7.471 -5.694 -6.232 1.00 0.00 O ATOM 1380 CB ILE B 18 6.150 -2.656 -6.351 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.191 -1.768 -5.557 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.368 -3.516 -7.370 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.590 -0.645 -6.361 1.00 0.00 C ATOM 0 H ILE B 18 7.709 -1.754 -4.591 1.00 0.00 H new ATOM 0 HA ILE B 18 6.268 -4.093 -4.751 1.00 0.00 H new ATOM 0 HB ILE B 18 6.843 -2.025 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.387 -2.386 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.724 -1.347 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.801 -2.865 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.068 -4.113 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.683 -4.177 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.922 -0.061 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.385 -0.002 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.028 -1.058 -7.199 1.00 0.00 H new ATOM 1395 N GLN B 19 8.926 -4.072 -6.701 1.00 0.00 N ATOM 1396 CA GLN B 19 9.840 -4.919 -7.456 1.00 0.00 C ATOM 1397 C GLN B 19 10.399 -6.069 -6.594 1.00 0.00 C ATOM 1398 O GLN B 19 10.708 -7.149 -7.104 1.00 0.00 O ATOM 1399 CB GLN B 19 10.973 -4.090 -8.065 1.00 0.00 C ATOM 1400 CG GLN B 19 10.521 -3.114 -9.158 1.00 0.00 C ATOM 1401 CD GLN B 19 11.674 -2.340 -9.786 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.826 -2.968 -9.885 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 11.515 -1.187 -10.226 1.00 0.00 N flip ATOM 0 H GLN B 19 9.226 -3.100 -6.626 1.00 0.00 H new ATOM 0 HA GLN B 19 9.271 -5.370 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.463 -3.527 -7.271 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.719 -4.766 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.997 -3.668 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.807 -2.408 -8.733 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.610 -0.726 -10.134 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.290 -0.702 -10.679 1.00 0.00 H new ATOM 1412 N LEU B 20 10.498 -5.841 -5.295 1.00 0.00 N ATOM 1413 CA LEU B 20 10.961 -6.860 -4.364 1.00 0.00 C ATOM 1414 C LEU B 20 9.837 -7.856 -4.061 1.00 0.00 C ATOM 1415 O LEU B 20 10.047 -9.066 -4.120 1.00 0.00 O ATOM 1416 CB LEU B 20 11.499 -6.234 -3.069 1.00 0.00 C ATOM 1417 CG LEU B 20 12.718 -5.315 -3.213 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.086 -4.709 -1.874 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.906 -6.072 -3.791 1.00 0.00 C ATOM 0 H LEU B 20 10.262 -4.951 -4.857 1.00 0.00 H new ATOM 0 HA LEU B 20 11.784 -7.397 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.694 -5.664 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.757 -7.039 -2.381 1.00 0.00 H new ATOM 0 HG LEU B 20 12.455 -4.512 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.953 -4.060 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.246 -4.126 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.324 -5.504 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.757 -5.398 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU B 20 14.167 -6.898 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.645 -6.463 -4.774 1.00 0.00 H new ATOM 1431 N VAL B 21 8.643 -7.342 -3.748 1.00 0.00 N ATOM 1432 CA VAL B 21 7.473 -8.186 -3.508 1.00 0.00 C ATOM 1433 C VAL B 21 7.143 -9.007 -4.789 1.00 0.00 C ATOM 1434 O VAL B 21 6.803 -10.186 -4.729 1.00 0.00 O ATOM 1435 CB VAL B 21 6.248 -7.303 -3.104 1.00 0.00 C ATOM 1436 CG1 VAL B 21 5.074 -8.140 -2.656 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.621 -6.322 -2.009 1.00 0.00 C ATOM 0 H VAL B 21 8.464 -6.342 -3.655 1.00 0.00 H new ATOM 0 HA VAL B 21 7.692 -8.875 -2.692 1.00 0.00 H new ATOM 0 HB VAL B 21 5.953 -6.749 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.244 -7.487 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.766 -8.799 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.363 -8.739 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.750 -5.721 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.961 -6.870 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.420 -5.670 -2.362 1.00 0.00 H new ATOM 1447 N ALA B 22 7.310 -8.366 -5.933 1.00 0.00 N ATOM 1448 CA ALA B 22 7.058 -8.952 -7.241 1.00 0.00 C ATOM 1449 C ALA B 22 7.983 -10.124 -7.535 1.00 0.00 C ATOM 1450 O ALA B 22 7.526 -11.210 -7.910 1.00 0.00 O ATOM 1451 CB ALA B 22 7.214 -7.902 -8.326 1.00 0.00 C ATOM 0 H ALA B 22 7.633 -7.400 -5.981 1.00 0.00 H new ATOM 0 HA ALA B 22 6.035 -9.327 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.023 -8.354 -9.299 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.503 -7.094 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.228 -7.504 -8.304 1.00 0.00 H new ATOM 1457 N ARG B 23 9.282 -9.919 -7.319 1.00 0.00 N ATOM 1458 CA ARG B 23 10.293 -10.937 -7.633 1.00 0.00 C ATOM 1459 C ARG B 23 10.187 -12.144 -6.712 1.00 0.00 C ATOM 1460 O ARG B 23 10.765 -13.190 -6.980 1.00 0.00 O ATOM 1461 CB ARG B 23 11.713 -10.353 -7.583 1.00 0.00 C ATOM 1462 CG ARG B 23 12.155 -9.872 -6.210 1.00 0.00 C ATOM 1463 CD ARG B 23 13.534 -9.240 -6.257 1.00 0.00 C ATOM 1464 NE ARG B 23 13.575 -8.097 -7.182 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.651 -7.338 -7.424 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.754 -7.465 -6.684 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.610 -6.433 -8.389 1.00 0.00 N ATOM 0 H ARG B 23 9.663 -9.057 -6.928 1.00 0.00 H new ATOM 0 HA ARG B 23 10.094 -11.272 -8.651 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.415 -11.111 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.773 -9.519 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.435 -9.148 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.162 -10.711 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.818 -8.910 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.266 -9.986 -6.567 1.00 0.00 H new ATOM 0 HE ARG B 23 12.715 -7.864 -7.679 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.783 -8.146 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.568 -6.881 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.762 -6.317 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG B 23 15.427 -5.852 -8.578 1.00 0.00 H new ATOM 1481 N HIS B 24 9.454 -11.985 -5.635 1.00 0.00 N ATOM 1482 CA HIS B 24 9.250 -13.044 -4.676 1.00 0.00 C ATOM 1483 C HIS B 24 8.405 -14.198 -5.265 1.00 0.00 C ATOM 1484 O HIS B 24 8.511 -15.356 -4.826 1.00 0.00 O ATOM 1485 CB HIS B 24 8.625 -12.474 -3.387 1.00 0.00 C ATOM 1486 CG HIS B 24 8.290 -13.522 -2.359 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.216 -14.168 -1.561 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.101 -14.062 -2.055 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.564 -15.068 -0.820 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.265 -15.045 -1.083 1.00 0.00 N ATOM 0 H HIS B 24 8.980 -11.113 -5.399 1.00 0.00 H new ATOM 0 HA HIS B 24 10.221 -13.472 -4.425 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.315 -11.754 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.717 -11.928 -3.645 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.158 -13.777 -2.498 1.00 0.00 H new ATOM 0 HE1 HIS B 24 9.032 -15.726 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.539 -15.625 -0.662 1.00 0.00 H new ATOM 1498 N GLY B 25 7.594 -13.901 -6.255 1.00 0.00 N ATOM 1499 CA GLY B 25 6.772 -14.942 -6.819 1.00 0.00 C ATOM 1500 C GLY B 25 5.539 -14.419 -7.480 1.00 0.00 C ATOM 1501 O GLY B 25 4.854 -15.158 -8.207 1.00 0.00 O ATOM 0 H GLY B 25 7.488 -12.977 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.357 -15.505 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.487 -15.639 -6.031 1.00 0.00 H new ATOM 1505 N LEU B 26 5.220 -13.171 -7.210 1.00 0.00 N ATOM 1506 CA LEU B 26 4.119 -12.512 -7.810 1.00 0.00 C ATOM 1507 C LEU B 26 4.198 -12.523 -9.311 1.00 0.00 C ATOM 1508 O LEU B 26 5.261 -12.321 -9.910 1.00 0.00 O ATOM 1509 CB LEU B 26 4.026 -11.101 -7.293 1.00 0.00 C ATOM 1510 CG LEU B 26 3.266 -10.912 -5.989 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.849 -11.701 -4.841 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.116 -9.448 -5.657 1.00 0.00 C ATOM 0 H LEU B 26 5.740 -12.590 -6.552 1.00 0.00 H new ATOM 0 HA LEU B 26 3.216 -13.058 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.038 -10.718 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.552 -10.486 -8.058 1.00 0.00 H new ATOM 0 HG LEU B 26 2.268 -11.323 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.261 -11.522 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.829 -12.764 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.879 -11.387 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.569 -9.342 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.102 -8.995 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.568 -8.948 -6.456 1.00 0.00 H new ATOM 1524 N ASP B 27 3.088 -12.813 -9.901 1.00 0.00 N ATOM 1525 CA ASP B 27 2.968 -12.822 -11.339 1.00 0.00 C ATOM 1526 C ASP B 27 2.680 -11.421 -11.799 1.00 0.00 C ATOM 1527 O ASP B 27 2.482 -10.536 -10.972 1.00 0.00 O ATOM 1528 CB ASP B 27 1.874 -13.787 -11.817 1.00 0.00 C ATOM 1529 CG ASP B 27 2.159 -15.226 -11.455 1.00 0.00 C ATOM 1530 OD1 ASP B 27 3.077 -15.838 -12.039 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.471 -15.780 -10.580 1.00 0.00 O ATOM 0 H ASP B 27 2.229 -13.053 -9.407 1.00 0.00 H new ATOM 0 HA ASP B 27 3.904 -13.176 -11.771 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.920 -13.490 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.771 -13.704 -12.899 1.00 0.00 H new ATOM 1536 N HIS B 28 2.609 -11.218 -13.087 1.00 0.00 N ATOM 1537 CA HIS B 28 2.437 -9.879 -13.651 1.00 0.00 C ATOM 1538 C HIS B 28 1.154 -9.210 -13.178 1.00 0.00 C ATOM 1539 O HIS B 28 1.162 -8.037 -12.803 1.00 0.00 O ATOM 1540 CB HIS B 28 2.540 -9.904 -15.183 1.00 0.00 C ATOM 1541 CG HIS B 28 3.911 -10.279 -15.665 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.299 -11.564 -15.997 1.00 0.00 N ATOM 1543 CD2 HIS B 28 5.007 -9.506 -15.840 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.585 -11.529 -16.346 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.066 -10.299 -16.268 1.00 0.00 N ATOM 0 H HIS B 28 2.667 -11.962 -13.783 1.00 0.00 H new ATOM 0 HA HIS B 28 3.257 -9.266 -13.276 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.813 -10.612 -15.580 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.277 -8.922 -15.577 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.053 -8.440 -15.673 1.00 0.00 H new ATOM 0 HE1 HIS B 28 6.159 -12.391 -16.652 1.00 0.00 H new ATOM 0 HE2 HIS B 28 7.017 -9.995 -16.478 1.00 0.00 H new ATOM 1553 N ASP B 29 0.080 -9.975 -13.115 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.214 -9.464 -12.671 1.00 0.00 C ATOM 1555 C ASP B 29 -1.154 -9.103 -11.193 1.00 0.00 C ATOM 1556 O ASP B 29 -1.698 -8.081 -10.768 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.319 -10.488 -12.936 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.695 -10.003 -12.536 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.343 -9.279 -13.335 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.182 -10.360 -11.463 1.00 0.00 O ATOM 0 H ASP B 29 0.074 -10.963 -13.367 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.448 -8.564 -13.239 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.324 -10.740 -13.997 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.093 -11.405 -12.392 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.426 -9.920 -10.438 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.198 -9.709 -9.008 1.00 0.00 C ATOM 1567 C LYS B 30 0.506 -8.379 -8.769 1.00 0.00 C ATOM 1568 O LYS B 30 0.116 -7.615 -7.891 1.00 0.00 O ATOM 1569 CB LYS B 30 0.670 -10.829 -8.450 1.00 0.00 C ATOM 1570 CG LYS B 30 0.015 -12.190 -8.381 1.00 0.00 C ATOM 1571 CD LYS B 30 -0.809 -12.360 -7.121 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.520 -13.704 -7.111 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.276 -13.927 -5.863 1.00 0.00 N ATOM 0 H LYS B 30 0.028 -10.757 -10.804 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.166 -9.702 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.568 -10.908 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.992 -10.549 -7.447 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.623 -12.330 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.782 -12.964 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.163 -12.280 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.542 -11.556 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.201 -13.759 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.788 -14.501 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.744 -14.855 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.624 -13.901 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.993 -13.182 -5.754 1.00 0.00 H new ATOM 1587 N VAL B 31 1.528 -8.101 -9.580 1.00 0.00 N ATOM 1588 CA VAL B 31 2.302 -6.872 -9.465 1.00 0.00 C ATOM 1589 C VAL B 31 1.407 -5.681 -9.750 1.00 0.00 C ATOM 1590 O VAL B 31 1.441 -4.680 -9.032 1.00 0.00 O ATOM 1591 CB VAL B 31 3.505 -6.847 -10.452 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.383 -5.625 -10.232 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.319 -8.119 -10.355 1.00 0.00 C ATOM 0 H VAL B 31 1.838 -8.720 -10.329 1.00 0.00 H new ATOM 0 HA VAL B 31 2.695 -6.824 -8.449 1.00 0.00 H new ATOM 0 HB VAL B 31 3.096 -6.784 -11.460 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.213 -5.641 -10.939 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.793 -4.721 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.773 -5.636 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.152 -8.072 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.704 -8.228 -9.341 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.688 -8.974 -10.598 1.00 0.00 H new ATOM 1603 N LEU B 32 0.586 -5.810 -10.783 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.339 -4.756 -11.174 1.00 0.00 C ATOM 1605 C LEU B 32 -1.319 -4.458 -10.054 1.00 0.00 C ATOM 1606 O LEU B 32 -1.516 -3.308 -9.692 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.095 -5.134 -12.446 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.239 -5.421 -13.680 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.117 -5.743 -14.867 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.687 -4.254 -13.994 1.00 0.00 C ATOM 0 H LEU B 32 0.542 -6.643 -11.370 1.00 0.00 H new ATOM 0 HA LEU B 32 0.246 -3.859 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.700 -6.016 -12.236 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.785 -4.325 -12.688 1.00 0.00 H new ATOM 0 HG LEU B 32 0.384 -6.289 -13.464 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.493 -5.945 -15.737 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.723 -6.621 -14.644 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.770 -4.896 -15.077 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.282 -4.489 -14.876 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.094 -3.360 -14.184 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.349 -4.077 -13.147 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.892 -5.508 -9.484 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.847 -5.377 -8.383 1.00 0.00 C ATOM 1624 C LEU B 33 -2.194 -4.755 -7.170 1.00 0.00 C ATOM 1625 O LEU B 33 -2.688 -3.769 -6.625 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.414 -6.736 -7.997 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.261 -7.449 -9.036 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.547 -8.857 -8.576 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.563 -6.698 -9.272 1.00 0.00 C ATOM 0 H LEU B 33 -1.712 -6.471 -9.767 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.654 -4.730 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.581 -7.388 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.017 -6.609 -7.098 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.711 -7.483 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.155 -9.367 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.608 -9.394 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.085 -8.828 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.156 -7.224 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.124 -6.640 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.343 -5.691 -9.627 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.066 -5.312 -6.779 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.348 -4.856 -5.614 1.00 0.00 C ATOM 1643 C PHE B 34 0.052 -3.388 -5.742 1.00 0.00 C ATOM 1644 O PHE B 34 -0.201 -2.607 -4.842 1.00 0.00 O ATOM 1645 CB PHE B 34 0.874 -5.748 -5.343 1.00 0.00 C ATOM 1646 CG PHE B 34 1.693 -5.318 -4.162 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.234 -5.525 -2.874 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.913 -4.689 -4.342 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.978 -5.116 -1.792 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.659 -4.277 -3.263 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.194 -4.489 -1.988 1.00 0.00 C ATOM 0 H PHE B 34 -0.624 -6.094 -7.262 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.018 -4.934 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.536 -6.772 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.509 -5.756 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.283 -6.012 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.283 -4.520 -5.342 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.612 -5.285 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.609 -3.787 -3.418 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.778 -4.166 -1.139 1.00 0.00 H new ATOM 1661 N SER B 35 0.608 -3.013 -6.884 1.00 0.00 N ATOM 1662 CA SER B 35 1.081 -1.656 -7.086 1.00 0.00 C ATOM 1663 C SER B 35 -0.052 -0.624 -7.018 1.00 0.00 C ATOM 1664 O SER B 35 0.080 0.406 -6.345 1.00 0.00 O ATOM 1665 CB SER B 35 1.860 -1.546 -8.403 1.00 0.00 C ATOM 1666 OG SER B 35 1.104 -2.038 -9.491 1.00 0.00 O ATOM 0 H SER B 35 0.742 -3.631 -7.684 1.00 0.00 H new ATOM 0 HA SER B 35 1.759 -1.424 -6.264 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.126 -0.505 -8.584 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.793 -2.104 -8.324 1.00 0.00 H new ATOM 0 HG SER B 35 1.078 -3.017 -9.455 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.169 -0.926 -7.659 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.281 0.004 -7.720 1.00 0.00 C ATOM 1674 C ARG B 36 -2.995 0.117 -6.370 1.00 0.00 C ATOM 1675 O ARG B 36 -3.396 1.207 -5.951 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.253 -0.390 -8.849 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.944 -1.725 -8.651 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.626 -2.190 -9.913 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.668 -1.275 -10.353 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.928 -0.957 -11.625 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -5.075 -1.274 -12.594 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.019 -0.275 -11.903 1.00 0.00 N ATOM 0 H ARG B 36 -1.328 -1.809 -8.144 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.884 0.993 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.012 0.386 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.704 -0.416 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.214 -2.470 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.678 -1.640 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -3.884 -2.298 -10.704 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.060 -3.176 -9.746 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.246 -0.841 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.210 -1.766 -12.371 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -5.286 -1.025 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.652 0.003 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.232 -0.025 -12.869 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.092 -0.987 -5.657 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.812 -0.990 -4.397 1.00 0.00 C ATOM 1698 C ASP B 37 -2.940 -0.378 -3.301 1.00 0.00 C ATOM 1699 O ASP B 37 -3.436 0.251 -2.360 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.258 -2.405 -4.036 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.574 -2.415 -3.295 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.644 -2.254 -3.964 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.589 -2.583 -2.073 1.00 0.00 O ATOM 0 H ASP B 37 -2.687 -1.885 -5.923 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.711 -0.382 -4.496 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.350 -2.999 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.493 -2.880 -3.422 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.634 -0.545 -3.454 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.642 0.067 -2.577 1.00 0.00 C ATOM 1710 C LEU B 38 -0.641 1.580 -2.759 1.00 0.00 C ATOM 1711 O LEU B 38 -0.653 2.330 -1.781 1.00 0.00 O ATOM 1712 CB LEU B 38 0.751 -0.530 -2.871 1.00 0.00 C ATOM 1713 CG LEU B 38 1.978 0.154 -2.253 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.848 0.282 -0.760 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.230 -0.630 -2.591 1.00 0.00 C ATOM 0 H LEU B 38 -1.228 -1.114 -4.197 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.896 -0.146 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.745 -1.568 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.886 -0.543 -3.952 1.00 0.00 H new ATOM 0 HG LEU B 38 2.046 1.158 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.735 0.771 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.966 0.877 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.748 -0.709 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.097 -0.139 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.144 -1.641 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.350 -0.674 -3.673 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.646 2.012 -4.012 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.673 3.439 -4.371 1.00 0.00 C ATOM 1729 C ASP B 39 -1.846 4.120 -3.682 1.00 0.00 C ATOM 1730 O ASP B 39 -1.692 5.129 -2.985 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.819 3.575 -5.891 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.811 5.004 -6.365 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.286 5.548 -6.606 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.882 5.604 -6.526 1.00 0.00 O ATOM 0 H ASP B 39 -0.632 1.387 -4.818 1.00 0.00 H new ATOM 0 HA ASP B 39 0.254 3.913 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.007 3.034 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.750 3.101 -6.203 1.00 0.00 H new ATOM 1739 N LYS B 40 -2.987 3.509 -3.844 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.241 3.893 -3.287 1.00 0.00 C ATOM 1741 C LYS B 40 -4.167 4.050 -1.767 1.00 0.00 C ATOM 1742 O LYS B 40 -4.686 5.021 -1.204 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.129 2.756 -3.625 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.563 2.883 -3.257 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.280 1.567 -3.551 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.107 1.190 -5.011 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.598 -0.148 -5.340 1.00 0.00 N ATOM 0 H LYS B 40 -3.063 2.666 -4.413 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.580 4.855 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.070 2.589 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.734 1.863 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.658 3.134 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.024 3.695 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.881 0.777 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.340 1.662 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.630 1.920 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.050 1.252 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.509 -0.309 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.038 -0.859 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.597 -0.229 -5.063 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.531 3.090 -1.118 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.390 3.083 0.327 1.00 0.00 C ATOM 1763 C LEU B 41 -2.537 4.253 0.788 1.00 0.00 C ATOM 1764 O LEU B 41 -2.836 4.898 1.795 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.777 1.764 0.792 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.577 1.601 2.296 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.904 1.681 3.033 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.879 0.293 2.587 1.00 0.00 C ATOM 0 H LEU B 41 -3.097 2.291 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.381 3.185 0.770 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.412 0.950 0.442 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.809 1.646 0.304 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.950 2.418 2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.734 1.562 4.103 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.367 2.650 2.845 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.564 0.889 2.680 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.741 0.186 3.663 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.485 -0.533 2.215 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.907 0.282 2.093 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.503 4.536 0.033 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.619 5.639 0.348 1.00 0.00 C ATOM 1782 C ILE B 42 -1.376 6.954 0.228 1.00 0.00 C ATOM 1783 O ILE B 42 -1.458 7.701 1.195 1.00 0.00 O ATOM 1784 CB ILE B 42 0.657 5.633 -0.534 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.435 4.339 -0.291 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.536 6.844 -0.229 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.704 4.211 -1.093 1.00 0.00 C ATOM 0 H ILE B 42 -1.250 4.017 -0.808 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.280 5.522 1.377 1.00 0.00 H new ATOM 0 HB ILE B 42 0.361 5.689 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.682 4.272 0.769 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.788 3.493 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.424 6.817 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.977 7.759 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.835 6.822 0.819 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.190 3.264 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.467 4.242 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.375 5.034 -0.846 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.982 7.184 -0.939 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.825 8.384 -1.215 1.00 0.00 C ATOM 1801 C ASN B 43 -3.855 8.601 -0.117 1.00 0.00 C ATOM 1802 O ASN B 43 -4.109 9.736 0.291 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.574 8.266 -2.562 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.714 8.473 -3.805 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.593 9.579 -4.317 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.119 7.442 -4.295 1.00 0.00 N ATOM 0 H ASN B 43 -1.911 6.548 -1.734 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.140 9.231 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.034 7.279 -2.618 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.383 8.996 -2.574 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.534 7.537 -5.125 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.233 6.530 -3.853 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.418 7.497 0.369 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.408 7.502 1.441 1.00 0.00 C ATOM 1815 C LYS B 44 -4.856 8.180 2.683 1.00 0.00 C ATOM 1816 O LYS B 44 -5.472 9.089 3.232 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.796 6.064 1.793 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.835 5.935 2.900 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.070 4.481 3.295 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.489 3.643 2.106 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.813 2.258 2.485 1.00 0.00 N ATOM 0 H LYS B 44 -4.196 6.563 0.025 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.282 8.053 1.094 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.178 5.576 0.896 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.898 5.523 2.092 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.507 6.500 3.773 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.775 6.377 2.569 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.159 4.069 3.729 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.840 4.432 4.065 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.357 4.100 1.630 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.687 3.637 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.094 1.723 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.978 1.811 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.596 2.260 3.169 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.691 7.750 3.099 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.077 8.267 4.296 1.00 0.00 C ATOM 1837 C PHE B 45 -2.442 9.622 4.090 1.00 0.00 C ATOM 1838 O PHE B 45 -2.430 10.446 4.997 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.109 7.259 4.900 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.811 6.203 5.699 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.409 5.107 5.086 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.885 6.318 7.075 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.065 4.153 5.837 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.539 5.369 7.827 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.131 4.284 7.209 1.00 0.00 C ATOM 0 H PHE B 45 -3.144 7.035 2.620 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.877 8.424 5.020 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.536 6.787 4.102 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.396 7.781 5.539 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.359 5.002 4.012 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.424 7.163 7.565 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.526 3.305 5.352 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.590 5.472 8.901 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.645 3.540 7.799 1.00 0.00 H new ATOM 1855 N MET B 46 -1.958 9.871 2.886 1.00 0.00 N ATOM 1856 CA MET B 46 -1.363 11.169 2.548 1.00 0.00 C ATOM 1857 C MET B 46 -2.446 12.227 2.581 1.00 0.00 C ATOM 1858 O MET B 46 -2.190 13.395 2.855 1.00 0.00 O ATOM 1859 CB MET B 46 -0.793 11.162 1.120 1.00 0.00 C ATOM 1860 CG MET B 46 0.242 10.101 0.826 1.00 0.00 C ATOM 1861 SD MET B 46 0.922 10.242 -0.834 1.00 0.00 S ATOM 1862 CE MET B 46 1.734 11.828 -0.719 1.00 0.00 C ATOM 0 H MET B 46 -1.961 9.197 2.120 1.00 0.00 H new ATOM 0 HA MET B 46 -0.568 11.371 3.266 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.620 11.039 0.420 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.350 12.138 0.922 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.050 10.175 1.554 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.208 9.116 0.948 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.260 12.530 -1.405 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.652 12.206 0.300 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.786 11.718 -0.982 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.659 11.768 2.234 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.888 12.567 2.058 1.00 0.00 C ATOM 1874 C ASN B 47 -4.821 13.301 0.724 1.00 0.00 C ATOM 1875 O ASN B 47 -5.771 13.965 0.272 1.00 0.00 O ATOM 1876 CB ASN B 47 -5.187 13.512 3.240 1.00 0.00 C ATOM 1877 CG ASN B 47 -6.583 14.123 3.164 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -7.520 13.509 2.626 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -6.742 15.305 3.695 1.00 0.00 N ATOM 0 H ASN B 47 -3.820 10.776 2.059 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.735 11.881 2.045 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -5.086 12.961 4.175 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -4.445 14.311 3.259 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -7.658 15.753 3.676 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -5.950 15.780 4.128 1.00 0.00 H new ATOM 1886 N VAL B 48 -3.708 13.097 0.069 1.00 0.00 N ATOM 1887 CA VAL B 48 -3.426 13.636 -1.218 1.00 0.00 C ATOM 1888 C VAL B 48 -3.859 12.629 -2.212 1.00 0.00 C ATOM 1889 O VAL B 48 -3.142 11.698 -2.556 1.00 0.00 O ATOM 1890 CB VAL B 48 -1.941 13.948 -1.430 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -1.707 14.624 -2.782 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -1.400 14.794 -0.307 1.00 0.00 C ATOM 0 H VAL B 48 -2.948 12.527 0.440 1.00 0.00 H new ATOM 0 HA VAL B 48 -3.956 14.583 -1.322 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.400 13.002 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -0.644 14.834 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -2.041 13.963 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -2.268 15.558 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -0.344 15.000 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -1.951 15.734 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.513 14.261 0.637 1.00 0.00 H new ATOM 1902 N LYS B 49 -5.036 12.797 -2.601 1.00 0.00 N ATOM 1903 CA LYS B 49 -5.716 11.935 -3.508 1.00 0.00 C ATOM 1904 C LYS B 49 -6.162 12.801 -4.659 1.00 0.00 C ATOM 1905 O LYS B 49 -7.117 12.494 -5.389 1.00 0.00 O ATOM 1906 CB LYS B 49 -6.884 11.305 -2.749 1.00 0.00 C ATOM 1907 CG LYS B 49 -7.741 12.321 -2.006 1.00 0.00 C ATOM 1908 CD LYS B 49 -8.726 11.647 -1.068 1.00 0.00 C ATOM 1909 CE LYS B 49 -9.689 12.649 -0.433 1.00 0.00 C ATOM 1910 NZ LYS B 49 -9.001 13.734 0.317 1.00 0.00 N ATOM 0 H LYS B 49 -5.609 13.582 -2.290 1.00 0.00 H new ATOM 0 HA LYS B 49 -5.101 11.124 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.511 10.757 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.495 10.579 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -7.098 12.992 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.285 12.934 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.294 10.896 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -8.179 11.123 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.307 13.092 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.360 12.119 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.709 14.388 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.445 13.321 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.368 14.252 -0.325 1.00 0.00 H new ATOM 1924 N ASP B 50 -5.345 13.837 -4.833 1.00 0.00 N ATOM 1925 CA ASP B 50 -5.494 14.946 -5.743 1.00 0.00 C ATOM 1926 C ASP B 50 -6.484 15.951 -5.166 1.00 0.00 C ATOM 1927 O ASP B 50 -7.087 15.705 -4.116 1.00 0.00 O ATOM 1928 CB ASP B 50 -5.820 14.504 -7.169 1.00 0.00 C ATOM 1929 CG ASP B 50 -5.456 15.559 -8.186 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -6.286 16.419 -8.500 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -4.302 15.566 -8.653 1.00 0.00 O ATOM 0 H ASP B 50 -4.488 13.919 -4.286 1.00 0.00 H new ATOM 0 HA ASP B 50 -4.533 15.451 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -5.283 13.583 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -6.884 14.280 -7.245 1.00 0.00 H new ATOM 1936 N LYS B 51 -6.674 17.052 -5.831 1.00 0.00 N ATOM 1937 CA LYS B 51 -7.475 18.144 -5.299 1.00 0.00 C ATOM 1938 C LYS B 51 -8.932 18.022 -5.721 1.00 0.00 C ATOM 1939 O LYS B 51 -9.728 18.960 -5.590 1.00 0.00 O ATOM 1940 CB LYS B 51 -6.864 19.491 -5.696 1.00 0.00 C ATOM 1941 CG LYS B 51 -6.670 19.677 -7.192 1.00 0.00 C ATOM 1942 CD LYS B 51 -5.950 20.985 -7.543 1.00 0.00 C ATOM 1943 CE LYS B 51 -4.431 20.972 -7.258 1.00 0.00 C ATOM 1944 NZ LYS B 51 -4.070 20.909 -5.821 1.00 0.00 N ATOM 0 H LYS B 51 -6.284 17.230 -6.757 1.00 0.00 H new ATOM 0 HA LYS B 51 -7.465 18.085 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -7.504 20.290 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -5.899 19.598 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -6.099 18.837 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -7.642 19.660 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -6.108 21.200 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -6.406 21.799 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.987 20.117 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.986 21.868 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.197 21.450 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.840 21.314 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.919 19.918 -5.544 1.00 0.00 H new ATOM 1958 N VAL B 52 -9.267 16.859 -6.194 1.00 0.00 N ATOM 1959 CA VAL B 52 -10.591 16.511 -6.605 1.00 0.00 C ATOM 1960 C VAL B 52 -10.940 15.163 -6.005 1.00 0.00 C ATOM 1961 O VAL B 52 -10.068 14.482 -5.442 1.00 0.00 O ATOM 1962 CB VAL B 52 -10.720 16.424 -8.157 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -10.540 17.787 -8.805 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -9.723 15.421 -8.746 1.00 0.00 C ATOM 0 H VAL B 52 -8.598 16.098 -6.308 1.00 0.00 H new ATOM 0 HA VAL B 52 -11.272 17.289 -6.259 1.00 0.00 H new ATOM 0 HB VAL B 52 -11.728 16.072 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -10.636 17.691 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -11.303 18.471 -8.432 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -9.552 18.178 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -9.840 15.385 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -8.707 15.731 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -9.912 14.432 -8.328 1.00 0.00 H new ATOM 1974 N HIS B 53 -12.179 14.788 -6.110 1.00 0.00 N ATOM 1975 CA HIS B 53 -12.633 13.494 -5.665 1.00 0.00 C ATOM 1976 C HIS B 53 -13.377 12.831 -6.798 1.00 0.00 C ATOM 1977 O HIS B 53 -14.600 12.920 -6.915 1.00 0.00 O ATOM 1978 CB HIS B 53 -13.449 13.550 -4.335 1.00 0.00 C ATOM 1979 CG HIS B 53 -14.598 14.530 -4.303 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -15.923 14.177 -4.442 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -14.591 15.868 -4.102 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -16.660 15.279 -4.324 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -15.897 16.342 -4.112 1.00 0.00 N ATOM 0 H HIS B 53 -12.914 15.372 -6.509 1.00 0.00 H new ATOM 0 HA HIS B 53 -11.767 12.884 -5.408 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -13.842 12.554 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -12.765 13.796 -3.523 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -13.708 16.473 -3.957 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -17.738 15.304 -4.392 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -16.204 17.306 -3.983 1.00 0.00 H new ATOM 1991 N LYS B 54 -12.612 12.235 -7.676 1.00 0.00 N ATOM 1992 CA LYS B 54 -13.128 11.673 -8.893 1.00 0.00 C ATOM 1993 C LYS B 54 -13.983 10.456 -8.641 1.00 0.00 C ATOM 1994 O LYS B 54 -13.537 9.497 -8.002 1.00 0.00 O ATOM 1995 CB LYS B 54 -11.996 11.287 -9.844 1.00 0.00 C ATOM 1996 CG LYS B 54 -12.524 10.786 -11.168 1.00 0.00 C ATOM 1997 CD LYS B 54 -11.449 10.269 -12.084 1.00 0.00 C ATOM 1998 CE LYS B 54 -12.067 9.848 -13.399 1.00 0.00 C ATOM 1999 NZ LYS B 54 -13.013 8.720 -13.232 1.00 0.00 N ATOM 0 H LYS B 54 -11.604 12.126 -7.563 1.00 0.00 H new ATOM 0 HA LYS B 54 -13.746 12.447 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -11.352 12.150 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -11.380 10.515 -9.382 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -13.248 9.992 -10.985 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -13.058 11.595 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -10.698 11.041 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.939 9.424 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -12.589 10.696 -13.842 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.279 9.560 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -13.323 8.386 -14.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -12.542 7.944 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -13.839 9.038 -12.687 1.00 0.00 H new ATOM 2013 N LEU B 55 -15.208 10.498 -9.130 1.00 0.00 N ATOM 2014 CA LEU B 55 -16.032 9.329 -9.114 1.00 0.00 C ATOM 2015 C LEU B 55 -15.454 8.357 -10.125 1.00 0.00 C ATOM 2016 O LEU B 55 -15.116 8.740 -11.263 1.00 0.00 O ATOM 2017 CB LEU B 55 -17.541 9.612 -9.399 1.00 0.00 C ATOM 2018 CG LEU B 55 -17.964 10.120 -10.805 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -19.476 10.100 -10.923 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -17.466 11.532 -11.073 1.00 0.00 C ATOM 0 H LEU B 55 -15.642 11.326 -9.537 1.00 0.00 H new ATOM 0 HA LEU B 55 -16.021 8.910 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -18.090 8.691 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -17.881 10.346 -8.669 1.00 0.00 H new ATOM 0 HG LEU B 55 -17.514 9.454 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -19.769 10.457 -11.910 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -19.838 9.082 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -19.909 10.747 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -17.784 11.848 -12.067 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -17.879 12.211 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -16.378 11.551 -11.018 1.00 0.00 H new ATOM 2032 N GLU B 56 -15.249 7.160 -9.705 1.00 0.00 N ATOM 2033 CA GLU B 56 -14.659 6.178 -10.551 1.00 0.00 C ATOM 2034 C GLU B 56 -15.490 4.905 -10.562 1.00 0.00 C ATOM 2035 O GLU B 56 -15.782 4.367 -11.623 1.00 0.00 O ATOM 2036 CB GLU B 56 -13.222 5.905 -10.103 1.00 0.00 C ATOM 2037 CG GLU B 56 -12.418 5.054 -11.061 1.00 0.00 C ATOM 2038 CD GLU B 56 -12.289 5.687 -12.409 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -11.513 6.645 -12.561 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -12.979 5.263 -13.333 1.00 0.00 O ATOM 0 H GLU B 56 -15.484 6.831 -8.768 1.00 0.00 H new ATOM 0 HA GLU B 56 -14.634 6.557 -11.573 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -12.710 6.858 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.245 5.413 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -11.425 4.883 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -12.893 4.078 -11.164 1.00 0.00 H new ATOM 2047 N HIS B 57 -15.904 4.437 -9.393 1.00 0.00 N ATOM 2048 CA HIS B 57 -16.675 3.207 -9.336 1.00 0.00 C ATOM 2049 C HIS B 57 -17.745 3.318 -8.244 1.00 0.00 C ATOM 2050 O HIS B 57 -18.860 3.753 -8.521 1.00 0.00 O ATOM 2051 CB HIS B 57 -15.735 2.008 -9.116 1.00 0.00 C ATOM 2052 CG HIS B 57 -16.292 0.671 -9.482 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -16.106 0.086 -10.717 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -16.993 -0.219 -8.750 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -16.684 -1.111 -10.702 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -17.241 -1.352 -9.523 1.00 0.00 N ATOM 0 H HIS B 57 -15.724 4.879 -8.492 1.00 0.00 H new ATOM 0 HA HIS B 57 -17.189 3.044 -10.283 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -14.825 2.172 -9.694 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -15.446 1.985 -8.065 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -17.311 -0.076 -7.728 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -16.698 -1.795 -11.538 1.00 0.00 H new ATOM 0 HE2 HIS B 57 -17.746 -2.192 -9.240 1.00 0.00 H new ATOM 2064 N HIS B 58 -17.394 2.992 -7.003 1.00 0.00 N ATOM 2065 CA HIS B 58 -18.336 3.160 -5.886 1.00 0.00 C ATOM 2066 C HIS B 58 -18.233 4.596 -5.391 1.00 0.00 C ATOM 2067 O HIS B 58 -19.230 5.281 -5.149 1.00 0.00 O ATOM 2068 CB HIS B 58 -18.106 2.105 -4.749 1.00 0.00 C ATOM 2069 CG HIS B 58 -16.699 2.027 -4.186 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -15.753 1.114 -4.604 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -16.091 2.772 -3.229 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -14.632 1.330 -3.916 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -14.783 2.329 -3.065 1.00 0.00 N ATOM 0 H HIS B 58 -16.482 2.616 -6.742 1.00 0.00 H new ATOM 0 HA HIS B 58 -19.353 2.974 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -18.791 2.327 -3.931 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -18.377 1.122 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -16.550 3.581 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -13.721 0.763 -4.038 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -14.084 2.699 -2.421 1.00 0.00 H new ATOM 2081 N HIS B 59 -17.014 5.023 -5.285 1.00 0.00 N ATOM 2082 CA HIS B 59 -16.644 6.372 -5.022 1.00 0.00 C ATOM 2083 C HIS B 59 -15.449 6.592 -5.904 1.00 0.00 C ATOM 2084 O HIS B 59 -15.586 7.036 -7.027 1.00 0.00 O ATOM 2085 CB HIS B 59 -16.332 6.606 -3.518 1.00 0.00 C ATOM 2086 CG HIS B 59 -15.850 7.998 -3.170 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -16.674 9.026 -2.785 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -14.592 8.506 -3.140 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -15.922 10.096 -2.539 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -14.643 9.834 -2.740 1.00 0.00 N ATOM 0 H HIS B 59 -16.210 4.404 -5.386 1.00 0.00 H new ATOM 0 HA HIS B 59 -17.445 7.080 -5.235 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -17.231 6.395 -2.939 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -15.575 5.887 -3.204 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -13.692 7.962 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -16.307 11.053 -2.217 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -13.857 10.474 -2.625 1.00 0.00 H new ATOM 2098 N HIS B 60 -14.315 6.131 -5.463 1.00 0.00 N ATOM 2099 CA HIS B 60 -13.136 6.151 -6.267 1.00 0.00 C ATOM 2100 C HIS B 60 -12.797 4.685 -6.560 1.00 0.00 C ATOM 2101 O HIS B 60 -13.527 3.785 -6.101 1.00 0.00 O ATOM 2102 CB HIS B 60 -11.981 6.894 -5.544 1.00 0.00 C ATOM 2103 CG HIS B 60 -10.775 7.158 -6.414 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -9.507 6.680 -6.154 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -10.680 7.849 -7.576 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -8.703 7.080 -7.145 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -9.370 7.794 -8.036 1.00 0.00 N ATOM 0 H HIS B 60 -14.185 5.731 -4.534 1.00 0.00 H new ATOM 0 HA HIS B 60 -13.291 6.697 -7.198 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -12.356 7.844 -5.165 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -11.670 6.306 -4.680 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -11.494 8.362 -8.067 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -7.650 6.851 -7.209 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -8.999 8.218 -8.887 1.00 0.00 H new ATOM 2115 N HIS B 61 -11.761 4.446 -7.328 1.00 0.00 N ATOM 2116 CA HIS B 61 -11.339 3.121 -7.708 1.00 0.00 C ATOM 2117 C HIS B 61 -10.017 3.242 -8.424 1.00 0.00 C ATOM 2118 O HIS B 61 -9.810 4.180 -9.205 1.00 0.00 O ATOM 2119 CB HIS B 61 -12.402 2.471 -8.626 1.00 0.00 C ATOM 2120 CG HIS B 61 -12.089 1.104 -9.178 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -12.567 -0.076 -8.650 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -11.390 0.757 -10.278 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -12.156 -1.075 -9.428 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -11.438 -0.620 -10.436 1.00 0.00 N ATOM 0 H HIS B 61 -11.175 5.186 -7.715 1.00 0.00 H new ATOM 0 HA HIS B 61 -11.226 2.487 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -13.336 2.405 -8.068 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -12.580 3.142 -9.466 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -10.874 1.444 -10.933 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -12.380 -2.117 -9.257 1.00 0.00 H new ATOM 0 HE2 HIS B 61 -11.006 -1.169 -11.180 1.00 0.00 H new ATOM 2132 N HIS B 62 -9.142 2.340 -8.139 1.00 0.00 N ATOM 2133 CA HIS B 62 -7.873 2.273 -8.782 1.00 0.00 C ATOM 2134 C HIS B 62 -7.461 0.827 -8.720 1.00 0.00 C ATOM 2135 O HIS B 62 -6.702 0.430 -7.848 1.00 0.00 O ATOM 2136 CB HIS B 62 -6.841 3.226 -8.115 1.00 0.00 C ATOM 2137 CG HIS B 62 -5.541 3.380 -8.870 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -4.308 2.885 -8.606 1.00 0.00 N flip ATOM 2139 CD2 HIS B 62 -5.409 4.116 -10.027 1.00 0.00 C flip ATOM 2140 CE1 HIS B 62 -3.416 3.308 -9.593 1.00 0.00 C flip ATOM 2141 NE2 HIS B 62 -4.137 4.047 -10.423 1.00 0.00 N flip ATOM 2142 OXT HIS B 62 -8.017 0.046 -9.481 1.00 0.00 O ATOM 0 H HIS B 62 -9.291 1.613 -7.439 1.00 0.00 H new ATOM 0 HA HIS B 62 -7.925 2.611 -9.817 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -7.297 4.209 -8.000 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -6.622 2.857 -7.113 1.00 0.00 H new ATOM 0 HD1 HIS B 62 -4.068 2.295 -7.809 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -6.199 4.656 -10.527 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -2.363 3.081 -9.665 1.00 0.00 H new TER 2150 HIS B 62