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 57 HIS : no HD1:sc= 0.332 K(o=0.58,f=-2.1) USER MOD Set 1.2: B 59 HIS : no HD1:sc= 0.245 K(o=0.58,f=-2.4) USER MOD Set 2.1: A 24 HIS : no HE2:sc= -1.46 K(o=-3.6,f=-2.7) USER MOD Set 2.2: B 3 MET CE :methyl -139:sc= -0.183 (180deg=-0.971) USER MOD Set 2.3: B 46 MET CE :methyl 166:sc= -1.96 (180deg=-2.73) USER MOD Set 3.1: A 46 MET CE :methyl 149:sc= -2.55 (180deg=-5.47!) USER MOD Set 3.2: B 24 HIS : no HD1:sc= -0.702 K(o=-3.3,f=-2.3) USER MOD Set 4.1: A 5 GLN : amide:sc= 0.0128 K(o=1.3,f=-1.9) USER MOD Set 4.2: A 8 ASN : amide:sc= 0.164 K(o=1.3,f=-1.6!) USER MOD Set 4.3: A 12 ASN : amide:sc= 1.11 K(o=1.3,f=0.22) USER MOD Set 5.1: A 7 LYS NZ :NH3+ 166:sc= 2.94 (180deg=1.95) USER MOD Set 5.2: A 43 ASN : amide:sc= 0.336 K(o=3.3,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.36 (180deg=1.08) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0932 (180deg=-0.525) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc=-0.00496 (180deg=-0.102) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 1.9 (180deg=1.73) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.56) USER MOD Single : A 19 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.825 (180deg=0.344) USER MOD Single : A 35 SER OG : rot -95:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0.321 (180deg=-0.889!) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.0135 (180deg=-0.112) USER MOD Single : A 47 ASN : amide:sc=-0.00467 K(o=-0.0047,f=-0.63) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0624 (180deg=-0.367) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= 1.41 (180deg=-0.626) 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) USER MOD Single : A 58 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.15) USER MOD Single : A 60 HIS : no HE2:sc= -0.42 K(o=-0.42,f=-5.5!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.025) USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.03) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 13 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.21) USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 1.15 (180deg=0.968) USER MOD Single : B 15 LYS NZ :NH3+ -175:sc= 0.686 (180deg=0.611) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 28 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.05) USER MOD Single : B 35 SER OG : rot -80:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ 150:sc= -1.39! (180deg=-3.01!) USER MOD Single : B 43 ASN : amide:sc=-0.00177 K(o=-0.0018,f=-0.6) USER MOD Single : B 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0268) USER MOD Single : B 47 ASN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc= -0.0157 (180deg=-0.125) USER MOD Single : B 51 LYS NZ :NH3+ -167:sc= -0.0458 (180deg=-0.272) USER MOD Single : B 53 HIS : no HD1:sc= 0.0185 K(o=0.019,f=-0.49) USER MOD Single : B 54 LYS NZ :NH3+ -172:sc= 0.626 (180deg=0.4) USER MOD Single : B 58 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.037) USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 61 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0055) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.933 -12.377 -2.003 1.00 0.00 N ATOM 2 CA MET A 1 20.226 -13.621 -2.290 1.00 0.00 C ATOM 3 C MET A 1 19.554 -14.106 -1.028 1.00 0.00 C ATOM 4 O MET A 1 19.490 -13.344 -0.054 1.00 0.00 O ATOM 5 CB MET A 1 21.185 -14.682 -2.861 1.00 0.00 C ATOM 6 CG MET A 1 21.683 -14.401 -4.274 1.00 0.00 C ATOM 7 SD MET A 1 22.665 -12.892 -4.410 1.00 0.00 S ATOM 8 CE MET A 1 22.974 -12.860 -6.178 1.00 0.00 C ATOM 0 H1 MET A 1 21.656 -12.213 -2.732 1.00 0.00 H new ATOM 0 H2 MET A 1 20.257 -11.586 -2.001 1.00 0.00 H new ATOM 0 H3 MET A 1 21.390 -12.444 -1.071 1.00 0.00 H new ATOM 0 HA MET A 1 19.466 -13.440 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.046 -14.767 -2.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.681 -15.648 -2.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.282 -15.246 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.826 -14.328 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.572 -11.983 -6.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.513 -13.762 -6.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.025 -12.815 -6.712 1.00 0.00 H new ATOM 20 N GLU A 2 19.018 -15.352 -1.058 1.00 0.00 N ATOM 21 CA GLU A 2 18.327 -15.999 0.077 1.00 0.00 C ATOM 22 C GLU A 2 16.903 -15.381 0.248 1.00 0.00 C ATOM 23 O GLU A 2 16.712 -14.161 0.145 1.00 0.00 O ATOM 24 CB GLU A 2 19.223 -15.936 1.361 1.00 0.00 C ATOM 25 CG GLU A 2 18.941 -16.963 2.466 1.00 0.00 C ATOM 26 CD GLU A 2 17.636 -16.770 3.145 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.517 -15.854 3.947 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.685 -17.531 2.867 1.00 0.00 O ATOM 0 H GLU A 2 19.057 -15.943 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 2 18.172 -17.060 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.263 -16.049 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 2 19.124 -14.940 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.971 -17.964 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 2 19.737 -16.912 3.209 1.00 0.00 H new ATOM 35 N MET A 3 15.913 -16.237 0.475 1.00 0.00 N ATOM 36 CA MET A 3 14.503 -15.818 0.513 1.00 0.00 C ATOM 37 C MET A 3 14.109 -15.174 1.848 1.00 0.00 C ATOM 38 O MET A 3 13.195 -14.344 1.901 1.00 0.00 O ATOM 39 CB MET A 3 13.555 -16.978 0.154 1.00 0.00 C ATOM 40 CG MET A 3 13.614 -18.174 1.098 1.00 0.00 C ATOM 41 SD MET A 3 12.484 -19.505 0.620 1.00 0.00 S ATOM 42 CE MET A 3 13.141 -19.966 -0.987 1.00 0.00 C ATOM 0 H MET A 3 16.055 -17.234 0.637 1.00 0.00 H new ATOM 0 HA MET A 3 14.396 -15.047 -0.250 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.533 -16.599 0.135 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.788 -17.319 -0.855 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.633 -18.561 1.123 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.373 -17.845 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.771 -20.954 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.821 -19.239 -1.733 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.230 -19.985 -0.943 1.00 0.00 H new ATOM 52 N GLY A 4 14.799 -15.532 2.901 1.00 0.00 N ATOM 53 CA GLY A 4 14.539 -14.931 4.194 1.00 0.00 C ATOM 54 C GLY A 4 15.043 -13.514 4.197 1.00 0.00 C ATOM 55 O GLY A 4 14.362 -12.591 4.651 1.00 0.00 O ATOM 0 H GLY A 4 15.541 -16.231 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.470 -14.949 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.030 -15.505 4.980 1.00 0.00 H new ATOM 59 N GLN A 5 16.234 -13.344 3.644 1.00 0.00 N ATOM 60 CA GLN A 5 16.827 -12.029 3.449 1.00 0.00 C ATOM 61 C GLN A 5 16.034 -11.210 2.439 1.00 0.00 C ATOM 62 O GLN A 5 16.085 -9.982 2.446 1.00 0.00 O ATOM 63 CB GLN A 5 18.290 -12.141 3.035 1.00 0.00 C ATOM 64 CG GLN A 5 19.188 -12.652 4.145 1.00 0.00 C ATOM 65 CD GLN A 5 19.204 -11.711 5.333 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.389 -11.823 6.251 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.120 -10.779 5.333 1.00 0.00 N ATOM 0 H GLN A 5 16.818 -14.114 3.317 1.00 0.00 H new ATOM 0 HA GLN A 5 16.789 -11.505 4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.368 -12.809 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.645 -11.163 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.846 -13.636 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.202 -12.775 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.780 -10.713 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.175 -10.118 6.108 1.00 0.00 H new ATOM 76 N LEU A 6 15.299 -11.897 1.585 1.00 0.00 N ATOM 77 CA LEU A 6 14.410 -11.263 0.630 1.00 0.00 C ATOM 78 C LEU A 6 13.262 -10.607 1.411 1.00 0.00 C ATOM 79 O LEU A 6 12.960 -9.435 1.210 1.00 0.00 O ATOM 80 CB LEU A 6 13.924 -12.327 -0.413 1.00 0.00 C ATOM 81 CG LEU A 6 13.009 -11.902 -1.598 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.584 -11.642 -1.163 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.576 -10.697 -2.333 1.00 0.00 C ATOM 0 H LEU A 6 15.302 -12.916 1.534 1.00 0.00 H new ATOM 0 HA LEU A 6 14.914 -10.482 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.813 -12.789 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.396 -13.104 0.140 1.00 0.00 H new ATOM 0 HG LEU A 6 12.986 -12.745 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.988 -11.349 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.166 -12.548 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.570 -10.841 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.913 -10.427 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.661 -9.857 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.562 -10.943 -2.728 1.00 0.00 H new ATOM 95 N LYS A 7 12.678 -11.356 2.349 1.00 0.00 N ATOM 96 CA LYS A 7 11.617 -10.827 3.218 1.00 0.00 C ATOM 97 C LYS A 7 12.155 -9.733 4.107 1.00 0.00 C ATOM 98 O LYS A 7 11.473 -8.753 4.374 1.00 0.00 O ATOM 99 CB LYS A 7 10.986 -11.933 4.066 1.00 0.00 C ATOM 100 CG LYS A 7 9.547 -12.238 3.689 1.00 0.00 C ATOM 101 CD LYS A 7 8.564 -11.119 4.112 1.00 0.00 C ATOM 102 CE LYS A 7 8.219 -11.189 5.590 1.00 0.00 C ATOM 103 NZ LYS A 7 7.113 -10.268 5.965 1.00 0.00 N ATOM 0 H LYS A 7 12.920 -12.331 2.528 1.00 0.00 H new ATOM 0 HA LYS A 7 10.842 -10.410 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.580 -12.841 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.025 -11.642 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.482 -12.383 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.245 -13.176 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.004 -10.147 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.650 -11.198 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.938 -12.211 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.104 -10.946 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.759 -10.518 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.464 -9.289 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.342 -10.352 5.273 1.00 0.00 H new ATOM 117 N ASN A 8 13.392 -9.911 4.540 1.00 0.00 N ATOM 118 CA ASN A 8 14.094 -8.935 5.374 1.00 0.00 C ATOM 119 C ASN A 8 14.181 -7.597 4.617 1.00 0.00 C ATOM 120 O ASN A 8 13.889 -6.525 5.173 1.00 0.00 O ATOM 121 CB ASN A 8 15.517 -9.462 5.698 1.00 0.00 C ATOM 122 CG ASN A 8 16.301 -8.639 6.729 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.095 -7.439 6.898 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.236 -9.269 7.387 1.00 0.00 N ATOM 0 H ASN A 8 13.946 -10.740 4.324 1.00 0.00 H new ATOM 0 HA ASN A 8 13.553 -8.784 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.433 -10.486 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.093 -9.499 4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.815 -8.765 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.388 -10.265 7.229 1.00 0.00 H new ATOM 131 N LYS A 9 14.554 -7.673 3.343 1.00 0.00 N ATOM 132 CA LYS A 9 14.629 -6.494 2.497 1.00 0.00 C ATOM 133 C LYS A 9 13.253 -5.921 2.210 1.00 0.00 C ATOM 134 O LYS A 9 13.100 -4.709 2.147 1.00 0.00 O ATOM 135 CB LYS A 9 15.391 -6.760 1.203 1.00 0.00 C ATOM 136 CG LYS A 9 16.875 -6.995 1.407 1.00 0.00 C ATOM 137 CD LYS A 9 17.587 -7.171 0.082 1.00 0.00 C ATOM 138 CE LYS A 9 19.089 -7.334 0.266 1.00 0.00 C ATOM 139 NZ LYS A 9 19.431 -8.547 1.041 1.00 0.00 N ATOM 0 H LYS A 9 14.809 -8.543 2.876 1.00 0.00 H new ATOM 0 HA LYS A 9 15.192 -5.747 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.959 -7.631 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.255 -5.913 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.309 -6.153 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.024 -7.881 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.187 -8.044 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.390 -6.308 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.569 -7.382 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.488 -6.456 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.461 -8.690 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.112 -8.432 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.961 -9.373 0.619 1.00 0.00 H new ATOM 153 N ILE A 10 12.258 -6.788 2.042 1.00 0.00 N ATOM 154 CA ILE A 10 10.874 -6.343 1.858 1.00 0.00 C ATOM 155 C ILE A 10 10.432 -5.504 3.049 1.00 0.00 C ATOM 156 O ILE A 10 9.925 -4.394 2.872 1.00 0.00 O ATOM 157 CB ILE A 10 9.883 -7.532 1.631 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.150 -8.183 0.270 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.419 -7.083 1.742 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.235 -9.339 -0.058 1.00 0.00 C ATOM 0 H ILE A 10 12.381 -7.801 2.029 1.00 0.00 H new ATOM 0 HA ILE A 10 10.849 -5.735 0.954 1.00 0.00 H new ATOM 0 HB ILE A 10 10.054 -8.267 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.051 -7.425 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.182 -8.533 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.763 -7.938 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.239 -6.672 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.215 -6.320 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.493 -9.741 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.349 -10.119 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.201 -8.993 -0.068 1.00 0.00 H new ATOM 172 N GLU A 11 10.672 -6.024 4.252 1.00 0.00 N ATOM 173 CA GLU A 11 10.360 -5.318 5.490 1.00 0.00 C ATOM 174 C GLU A 11 11.036 -3.955 5.519 1.00 0.00 C ATOM 175 O GLU A 11 10.388 -2.934 5.740 1.00 0.00 O ATOM 176 CB GLU A 11 10.794 -6.136 6.714 1.00 0.00 C ATOM 177 CG GLU A 11 10.036 -7.441 6.908 1.00 0.00 C ATOM 178 CD GLU A 11 8.564 -7.211 7.057 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.149 -6.552 8.026 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.774 -7.666 6.201 1.00 0.00 O ATOM 0 H GLU A 11 11.087 -6.945 4.394 1.00 0.00 H new ATOM 0 HA GLU A 11 9.280 -5.179 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.857 -6.359 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.669 -5.523 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.217 -8.097 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.415 -7.954 7.792 1.00 0.00 H new ATOM 187 N ASN A 12 12.323 -3.955 5.257 1.00 0.00 N ATOM 188 CA ASN A 12 13.136 -2.775 5.240 1.00 0.00 C ATOM 189 C ASN A 12 12.701 -1.761 4.205 1.00 0.00 C ATOM 190 O ASN A 12 12.552 -0.598 4.530 1.00 0.00 O ATOM 191 CB ASN A 12 14.591 -3.148 5.040 1.00 0.00 C ATOM 192 CG ASN A 12 15.309 -3.445 6.334 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.900 -2.556 6.941 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.284 -4.671 6.768 1.00 0.00 N ATOM 0 H ASN A 12 12.843 -4.806 5.044 1.00 0.00 H new ATOM 0 HA ASN A 12 13.009 -2.294 6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.650 -4.021 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.102 -2.333 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.764 -4.915 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.785 -5.388 6.242 1.00 0.00 H new ATOM 201 N LYS A 13 12.465 -2.204 2.979 1.00 0.00 N ATOM 202 CA LYS A 13 12.110 -1.305 1.880 1.00 0.00 C ATOM 203 C LYS A 13 10.724 -0.692 2.121 1.00 0.00 C ATOM 204 O LYS A 13 10.493 0.483 1.838 1.00 0.00 O ATOM 205 CB LYS A 13 12.177 -2.057 0.535 1.00 0.00 C ATOM 206 CG LYS A 13 12.186 -1.161 -0.709 1.00 0.00 C ATOM 207 CD LYS A 13 13.379 -0.194 -0.706 1.00 0.00 C ATOM 208 CE LYS A 13 14.740 -0.893 -0.756 1.00 0.00 C ATOM 209 NZ LYS A 13 15.013 -1.511 -2.069 1.00 0.00 N ATOM 0 H LYS A 13 12.512 -3.188 2.714 1.00 0.00 H new ATOM 0 HA LYS A 13 12.829 -0.487 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.075 -2.675 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.324 -2.733 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.224 -1.782 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.257 -0.592 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.294 0.477 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.331 0.425 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.524 -0.171 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.779 -1.660 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.879 -2.083 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.214 -2.119 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.138 -0.766 -2.784 1.00 0.00 H new ATOM 223 N LYS A 14 9.829 -1.506 2.663 1.00 0.00 N ATOM 224 CA LYS A 14 8.510 -1.101 3.094 1.00 0.00 C ATOM 225 C LYS A 14 8.659 0.013 4.119 1.00 0.00 C ATOM 226 O LYS A 14 8.077 1.076 3.981 1.00 0.00 O ATOM 227 CB LYS A 14 7.838 -2.322 3.732 1.00 0.00 C ATOM 228 CG LYS A 14 6.445 -2.122 4.295 1.00 0.00 C ATOM 229 CD LYS A 14 5.927 -3.415 4.933 1.00 0.00 C ATOM 230 CE LYS A 14 6.725 -3.801 6.166 1.00 0.00 C ATOM 231 NZ LYS A 14 6.337 -5.131 6.685 1.00 0.00 N ATOM 0 H LYS A 14 10.013 -2.497 2.817 1.00 0.00 H new ATOM 0 HA LYS A 14 7.908 -0.739 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.791 -3.113 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.480 -2.681 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.459 -1.324 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.768 -1.806 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.879 -3.291 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.974 -4.223 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.788 -3.803 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.576 -3.051 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.952 -5.384 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.347 -5.104 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.439 -5.841 5.932 1.00 0.00 H new ATOM 245 N LYS A 15 9.485 -0.243 5.127 1.00 0.00 N ATOM 246 CA LYS A 15 9.778 0.721 6.180 1.00 0.00 C ATOM 247 C LYS A 15 10.410 1.991 5.638 1.00 0.00 C ATOM 248 O LYS A 15 10.083 3.080 6.095 1.00 0.00 O ATOM 249 CB LYS A 15 10.639 0.076 7.256 1.00 0.00 C ATOM 250 CG LYS A 15 9.864 -0.877 8.149 1.00 0.00 C ATOM 251 CD LYS A 15 10.792 -1.811 8.889 1.00 0.00 C ATOM 252 CE LYS A 15 10.086 -2.545 10.016 1.00 0.00 C ATOM 253 NZ LYS A 15 9.519 -1.621 11.034 1.00 0.00 N ATOM 0 H LYS A 15 9.973 -1.132 5.237 1.00 0.00 H new ATOM 0 HA LYS A 15 8.832 1.023 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.458 -0.465 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.087 0.857 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.271 -0.307 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.165 -1.457 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.209 -2.536 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.629 -1.243 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.286 -3.157 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.789 -3.224 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.389 -2.131 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.171 -0.824 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.601 -1.262 10.703 1.00 0.00 H new ATOM 267 N GLU A 16 11.291 1.848 4.654 1.00 0.00 N ATOM 268 CA GLU A 16 11.908 2.990 3.984 1.00 0.00 C ATOM 269 C GLU A 16 10.841 3.890 3.391 1.00 0.00 C ATOM 270 O GLU A 16 10.913 5.115 3.506 1.00 0.00 O ATOM 271 CB GLU A 16 12.871 2.531 2.893 1.00 0.00 C ATOM 272 CG GLU A 16 14.145 1.903 3.410 1.00 0.00 C ATOM 273 CD GLU A 16 14.996 2.896 4.154 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.649 3.732 3.494 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.031 2.864 5.404 1.00 0.00 O ATOM 0 H GLU A 16 11.597 0.942 4.299 1.00 0.00 H new ATOM 0 HA GLU A 16 12.476 3.551 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.360 1.812 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.129 3.387 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.898 1.070 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.712 1.492 2.575 1.00 0.00 H new ATOM 282 N LEU A 17 9.838 3.269 2.801 1.00 0.00 N ATOM 283 CA LEU A 17 8.722 3.979 2.243 1.00 0.00 C ATOM 284 C LEU A 17 7.907 4.620 3.338 1.00 0.00 C ATOM 285 O LEU A 17 7.549 5.791 3.230 1.00 0.00 O ATOM 286 CB LEU A 17 7.884 3.041 1.313 1.00 0.00 C ATOM 287 CG LEU A 17 6.396 3.389 1.008 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.474 2.985 2.131 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.203 4.845 0.604 1.00 0.00 C ATOM 0 H LEU A 17 9.781 2.256 2.699 1.00 0.00 H new ATOM 0 HA LEU A 17 9.084 4.791 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.406 2.977 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.902 2.044 1.754 1.00 0.00 H new ATOM 0 HG LEU A 17 6.117 2.792 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.448 3.248 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.544 1.909 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.763 3.506 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.148 5.030 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.538 5.494 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.785 5.054 -0.294 1.00 0.00 H new ATOM 301 N ILE A 18 7.630 3.866 4.392 1.00 0.00 N ATOM 302 CA ILE A 18 6.814 4.360 5.488 1.00 0.00 C ATOM 303 C ILE A 18 7.429 5.621 6.069 1.00 0.00 C ATOM 304 O ILE A 18 6.736 6.576 6.320 1.00 0.00 O ATOM 305 CB ILE A 18 6.613 3.314 6.607 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.032 2.026 6.028 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.649 3.883 7.643 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.038 0.858 6.986 1.00 0.00 C ATOM 0 H ILE A 18 7.960 2.908 4.510 1.00 0.00 H new ATOM 0 HA ILE A 18 5.830 4.580 5.073 1.00 0.00 H new ATOM 0 HB ILE A 18 7.574 3.089 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.007 2.214 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.598 1.754 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.498 3.154 8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.065 4.798 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.693 4.104 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.609 -0.016 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.063 0.639 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.447 1.107 7.867 1.00 0.00 H new ATOM 320 N GLN A 19 8.743 5.619 6.218 1.00 0.00 N ATOM 321 CA GLN A 19 9.486 6.782 6.701 1.00 0.00 C ATOM 322 C GLN A 19 9.261 7.992 5.776 1.00 0.00 C ATOM 323 O GLN A 19 9.078 9.118 6.246 1.00 0.00 O ATOM 324 CB GLN A 19 10.970 6.441 6.776 1.00 0.00 C ATOM 325 CG GLN A 19 11.287 5.342 7.785 1.00 0.00 C ATOM 326 CD GLN A 19 12.689 4.767 7.653 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.282 4.324 8.641 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.220 4.757 6.460 1.00 0.00 N ATOM 0 H GLN A 19 9.330 4.812 6.008 1.00 0.00 H new ATOM 0 HA GLN A 19 9.126 7.045 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.314 6.129 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.529 7.339 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.162 5.740 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.562 4.536 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.700 5.132 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.155 4.374 6.321 1.00 0.00 H new ATOM 337 N LEU A 20 9.224 7.734 4.477 1.00 0.00 N ATOM 338 CA LEU A 20 9.016 8.768 3.473 1.00 0.00 C ATOM 339 C LEU A 20 7.583 9.306 3.506 1.00 0.00 C ATOM 340 O LEU A 20 7.375 10.517 3.497 1.00 0.00 O ATOM 341 CB LEU A 20 9.387 8.263 2.075 1.00 0.00 C ATOM 342 CG LEU A 20 10.856 7.865 1.876 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.067 7.315 0.483 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.783 9.052 2.122 1.00 0.00 C ATOM 0 H LEU A 20 9.338 6.798 4.088 1.00 0.00 H new ATOM 0 HA LEU A 20 9.680 9.598 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.762 7.401 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.139 9.040 1.351 1.00 0.00 H new ATOM 0 HG LEU A 20 11.098 7.089 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.113 7.037 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.438 6.436 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.802 8.075 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.818 8.742 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.541 9.853 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.654 9.409 3.144 1.00 0.00 H new ATOM 356 N VAL A 21 6.593 8.428 3.533 1.00 0.00 N ATOM 357 CA VAL A 21 5.218 8.895 3.673 1.00 0.00 C ATOM 358 C VAL A 21 4.946 9.511 5.065 1.00 0.00 C ATOM 359 O VAL A 21 4.170 10.442 5.198 1.00 0.00 O ATOM 360 CB VAL A 21 4.164 7.837 3.228 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.448 6.482 3.762 1.00 0.00 C ATOM 362 CG2 VAL A 21 2.732 8.260 3.516 1.00 0.00 C ATOM 0 H VAL A 21 6.706 7.417 3.462 1.00 0.00 H new ATOM 0 HA VAL A 21 5.095 9.715 2.965 1.00 0.00 H new ATOM 0 HB VAL A 21 4.260 7.780 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.681 5.788 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.424 6.149 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.448 6.513 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.048 7.480 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.608 8.418 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.512 9.186 2.985 1.00 0.00 H new ATOM 372 N ALA A 22 5.616 9.015 6.070 1.00 0.00 N ATOM 373 CA ALA A 22 5.505 9.561 7.424 1.00 0.00 C ATOM 374 C ALA A 22 5.968 11.023 7.480 1.00 0.00 C ATOM 375 O ALA A 22 5.207 11.897 7.920 1.00 0.00 O ATOM 376 CB ALA A 22 6.286 8.721 8.418 1.00 0.00 C ATOM 0 H ALA A 22 6.255 8.224 5.989 1.00 0.00 H new ATOM 0 HA ALA A 22 4.451 9.530 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.186 9.150 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.896 7.703 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.338 8.706 8.134 1.00 0.00 H new ATOM 382 N ARG A 23 7.191 11.297 6.960 1.00 0.00 N ATOM 383 CA ARG A 23 7.774 12.665 6.951 1.00 0.00 C ATOM 384 C ARG A 23 6.917 13.642 6.148 1.00 0.00 C ATOM 385 O ARG A 23 7.052 14.863 6.280 1.00 0.00 O ATOM 386 CB ARG A 23 9.235 12.688 6.441 1.00 0.00 C ATOM 387 CG ARG A 23 9.430 12.102 5.054 1.00 0.00 C ATOM 388 CD ARG A 23 10.827 12.349 4.490 1.00 0.00 C ATOM 389 NE ARG A 23 11.025 13.757 4.108 1.00 0.00 N ATOM 390 CZ ARG A 23 11.819 14.197 3.110 1.00 0.00 C ATOM 391 NH1 ARG A 23 12.645 13.367 2.475 1.00 0.00 N ATOM 392 NH2 ARG A 23 11.806 15.475 2.783 1.00 0.00 N ATOM 0 H ARG A 23 7.794 10.589 6.541 1.00 0.00 H new ATOM 0 HA ARG A 23 7.785 12.990 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.589 13.719 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.860 12.138 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.244 11.029 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.691 12.531 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.573 12.066 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.985 11.711 3.620 1.00 0.00 H new ATOM 0 HE ARG A 23 10.518 14.461 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.684 12.383 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.239 13.715 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.198 16.123 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.404 15.815 2.030 1.00 0.00 H new ATOM 406 N HIS A 24 6.061 13.095 5.290 1.00 0.00 N ATOM 407 CA HIS A 24 5.116 13.877 4.517 1.00 0.00 C ATOM 408 C HIS A 24 4.203 14.709 5.442 1.00 0.00 C ATOM 409 O HIS A 24 3.806 15.829 5.094 1.00 0.00 O ATOM 410 CB HIS A 24 4.272 12.955 3.604 1.00 0.00 C ATOM 411 CG HIS A 24 3.146 13.653 2.900 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.849 13.642 3.341 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.156 14.433 1.799 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.136 14.402 2.522 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.882 14.910 1.565 1.00 0.00 N ATOM 0 H HIS A 24 6.007 12.092 5.114 1.00 0.00 H new ATOM 0 HA HIS A 24 5.678 14.567 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.926 12.502 2.859 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.863 12.143 4.205 1.00 0.00 H new ATOM 0 HD1 HIS A 24 1.495 13.139 4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.025 14.650 1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.076 14.582 2.627 1.00 0.00 H new ATOM 423 N GLY A 25 3.897 14.184 6.613 1.00 0.00 N ATOM 424 CA GLY A 25 3.033 14.912 7.505 1.00 0.00 C ATOM 425 C GLY A 25 2.155 14.033 8.348 1.00 0.00 C ATOM 426 O GLY A 25 1.351 14.537 9.123 1.00 0.00 O ATOM 0 H GLY A 25 4.226 13.282 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.643 15.535 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.405 15.584 6.920 1.00 0.00 H new ATOM 430 N LEU A 26 2.268 12.734 8.175 1.00 0.00 N ATOM 431 CA LEU A 26 1.534 11.788 8.963 1.00 0.00 C ATOM 432 C LEU A 26 1.900 11.845 10.430 1.00 0.00 C ATOM 433 O LEU A 26 3.051 12.125 10.799 1.00 0.00 O ATOM 434 CB LEU A 26 1.757 10.380 8.447 1.00 0.00 C ATOM 435 CG LEU A 26 0.906 9.937 7.269 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.170 10.707 5.996 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.009 8.448 7.063 1.00 0.00 C ATOM 0 H LEU A 26 2.878 12.309 7.477 1.00 0.00 H new ATOM 0 HA LEU A 26 0.482 12.058 8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.805 10.285 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.585 9.686 9.270 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.125 10.177 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.524 10.331 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.964 11.765 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.213 10.581 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.391 8.155 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.047 8.179 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.664 7.932 7.959 1.00 0.00 H new ATOM 449 N ASP A 27 0.921 11.586 11.250 1.00 0.00 N ATOM 450 CA ASP A 27 1.096 11.542 12.695 1.00 0.00 C ATOM 451 C ASP A 27 1.561 10.147 13.044 1.00 0.00 C ATOM 452 O ASP A 27 1.571 9.272 12.176 1.00 0.00 O ATOM 453 CB ASP A 27 -0.228 11.757 13.432 1.00 0.00 C ATOM 454 CG ASP A 27 -1.036 12.945 12.994 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.859 14.045 13.554 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.891 12.798 12.096 1.00 0.00 O ATOM 0 H ASP A 27 -0.033 11.396 10.943 1.00 0.00 H new ATOM 0 HA ASP A 27 1.799 12.323 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.838 10.862 13.311 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.017 11.858 14.497 1.00 0.00 H new ATOM 461 N HIS A 28 1.868 9.900 14.305 1.00 0.00 N ATOM 462 CA HIS A 28 2.309 8.570 14.714 1.00 0.00 C ATOM 463 C HIS A 28 1.201 7.548 14.551 1.00 0.00 C ATOM 464 O HIS A 28 1.450 6.435 14.103 1.00 0.00 O ATOM 465 CB HIS A 28 2.882 8.538 16.140 1.00 0.00 C ATOM 466 CG HIS A 28 4.229 9.186 16.271 1.00 0.00 C ATOM 467 ND1 HIS A 28 5.421 8.486 16.274 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.566 10.492 16.410 1.00 0.00 C ATOM 469 CE1 HIS A 28 6.414 9.359 16.413 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.952 10.598 16.499 1.00 0.00 N ATOM 0 H HIS A 28 1.823 10.588 15.056 1.00 0.00 H new ATOM 0 HA HIS A 28 3.127 8.302 14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.184 9.036 16.812 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.956 7.501 16.468 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.871 11.318 16.446 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.460 9.093 16.451 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.498 11.452 16.608 1.00 0.00 H new ATOM 478 N ASP A 29 -0.035 7.951 14.858 1.00 0.00 N ATOM 479 CA ASP A 29 -1.189 7.057 14.714 1.00 0.00 C ATOM 480 C ASP A 29 -1.357 6.682 13.253 1.00 0.00 C ATOM 481 O ASP A 29 -1.604 5.535 12.928 1.00 0.00 O ATOM 482 CB ASP A 29 -2.502 7.693 15.253 1.00 0.00 C ATOM 483 CG ASP A 29 -3.096 8.783 14.362 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.467 9.825 14.187 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.220 8.614 13.832 1.00 0.00 O ATOM 0 H ASP A 29 -0.262 8.883 15.205 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.995 6.167 15.312 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.244 6.905 15.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.307 8.115 16.239 1.00 0.00 H new ATOM 490 N LYS A 30 -1.135 7.657 12.385 1.00 0.00 N ATOM 491 CA LYS A 30 -1.256 7.476 10.953 1.00 0.00 C ATOM 492 C LYS A 30 -0.242 6.478 10.466 1.00 0.00 C ATOM 493 O LYS A 30 -0.569 5.585 9.693 1.00 0.00 O ATOM 494 CB LYS A 30 -1.036 8.789 10.227 1.00 0.00 C ATOM 495 CG LYS A 30 -1.970 9.893 10.633 1.00 0.00 C ATOM 496 CD LYS A 30 -3.410 9.569 10.356 1.00 0.00 C ATOM 497 CE LYS A 30 -4.304 10.706 10.829 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.036 11.071 12.245 1.00 0.00 N ATOM 0 H LYS A 30 -0.864 8.601 12.660 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.262 7.111 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.011 9.117 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.140 8.618 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.846 10.095 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.699 10.806 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.554 9.403 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.686 8.644 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.149 11.578 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.349 10.415 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.762 11.739 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.060 10.215 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.099 11.516 12.317 1.00 0.00 H new ATOM 512 N VAL A 31 0.980 6.612 10.956 1.00 0.00 N ATOM 513 CA VAL A 31 2.064 5.742 10.568 1.00 0.00 C ATOM 514 C VAL A 31 1.766 4.313 11.008 1.00 0.00 C ATOM 515 O VAL A 31 1.959 3.375 10.244 1.00 0.00 O ATOM 516 CB VAL A 31 3.430 6.238 11.134 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.564 5.299 10.769 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.724 7.634 10.619 1.00 0.00 C ATOM 0 H VAL A 31 1.242 7.328 11.633 1.00 0.00 H new ATOM 0 HA VAL A 31 2.148 5.761 9.481 1.00 0.00 H new ATOM 0 HB VAL A 31 3.354 6.257 12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.498 5.679 11.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.363 4.309 11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.647 5.233 9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.679 7.975 11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.770 7.618 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.934 8.314 10.939 1.00 0.00 H new ATOM 528 N LEU A 32 1.237 4.165 12.212 1.00 0.00 N ATOM 529 CA LEU A 32 0.854 2.863 12.750 1.00 0.00 C ATOM 530 C LEU A 32 -0.220 2.222 11.902 1.00 0.00 C ATOM 531 O LEU A 32 -0.062 1.093 11.459 1.00 0.00 O ATOM 532 CB LEU A 32 0.368 2.998 14.189 1.00 0.00 C ATOM 533 CG LEU A 32 1.374 3.575 15.181 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.767 3.653 16.557 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.662 2.764 15.204 1.00 0.00 C ATOM 0 H LEU A 32 1.060 4.943 12.847 1.00 0.00 H new ATOM 0 HA LEU A 32 1.736 2.223 12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.521 3.629 14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.062 2.013 14.543 1.00 0.00 H new ATOM 0 HG LEU A 32 1.628 4.583 14.854 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.496 4.066 17.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.114 4.295 16.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.478 2.654 16.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.356 3.203 15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.440 1.737 15.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.114 2.770 14.212 1.00 0.00 H new ATOM 547 N LEU A 33 -1.273 2.964 11.632 1.00 0.00 N ATOM 548 CA LEU A 33 -2.405 2.457 10.863 1.00 0.00 C ATOM 549 C LEU A 33 -1.990 2.099 9.452 1.00 0.00 C ATOM 550 O LEU A 33 -2.391 1.053 8.923 1.00 0.00 O ATOM 551 CB LEU A 33 -3.511 3.488 10.806 1.00 0.00 C ATOM 552 CG LEU A 33 -4.016 4.013 12.145 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.032 5.115 11.940 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.585 2.895 13.000 1.00 0.00 C ATOM 0 H LEU A 33 -1.375 3.933 11.935 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.766 1.559 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.159 4.335 10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.355 3.055 10.268 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.165 4.432 12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.379 5.475 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.572 5.937 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.878 4.729 11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.936 3.304 13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.418 2.425 12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.810 2.152 13.190 1.00 0.00 H new ATOM 566 N PHE A 34 -1.197 2.961 8.856 1.00 0.00 N ATOM 567 CA PHE A 34 -0.699 2.757 7.522 1.00 0.00 C ATOM 568 C PHE A 34 0.180 1.524 7.460 1.00 0.00 C ATOM 569 O PHE A 34 -0.091 0.617 6.686 1.00 0.00 O ATOM 570 CB PHE A 34 0.059 4.003 7.035 1.00 0.00 C ATOM 571 CG PHE A 34 0.734 3.848 5.700 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.002 3.893 4.530 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.104 3.641 5.622 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.623 3.744 3.309 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.722 3.491 4.402 1.00 0.00 C ATOM 576 CZ PHE A 34 1.983 3.538 3.251 1.00 0.00 C ATOM 0 H PHE A 34 -0.880 3.828 9.290 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.547 2.595 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.640 4.837 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.811 4.267 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.066 4.046 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.691 3.597 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.044 3.789 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.790 3.336 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.468 3.413 2.294 1.00 0.00 H new ATOM 586 N SER A 35 1.193 1.471 8.314 1.00 0.00 N ATOM 587 CA SER A 35 2.154 0.387 8.294 1.00 0.00 C ATOM 588 C SER A 35 1.509 -0.971 8.539 1.00 0.00 C ATOM 589 O SER A 35 1.824 -1.930 7.848 1.00 0.00 O ATOM 590 CB SER A 35 3.298 0.654 9.276 1.00 0.00 C ATOM 591 OG SER A 35 2.807 0.909 10.576 1.00 0.00 O ATOM 0 H SER A 35 1.367 2.174 9.033 1.00 0.00 H new ATOM 0 HA SER A 35 2.573 0.349 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.968 -0.205 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.884 1.506 8.932 1.00 0.00 H new ATOM 0 HG SER A 35 2.730 1.876 10.713 1.00 0.00 H new ATOM 597 N ARG A 36 0.570 -1.043 9.477 1.00 0.00 N ATOM 598 CA ARG A 36 -0.074 -2.307 9.787 1.00 0.00 C ATOM 599 C ARG A 36 -0.981 -2.784 8.653 1.00 0.00 C ATOM 600 O ARG A 36 -1.046 -3.993 8.368 1.00 0.00 O ATOM 601 CB ARG A 36 -0.825 -2.255 11.121 1.00 0.00 C ATOM 602 CG ARG A 36 -1.947 -1.234 11.190 1.00 0.00 C ATOM 603 CD ARG A 36 -2.549 -1.198 12.569 1.00 0.00 C ATOM 604 NE ARG A 36 -3.186 -2.482 12.890 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.181 -3.099 14.075 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.533 -2.584 15.113 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.842 -4.237 14.210 1.00 0.00 N ATOM 0 H ARG A 36 0.243 -0.249 10.028 1.00 0.00 H new ATOM 0 HA ARG A 36 0.722 -3.044 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.240 -3.242 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.110 -2.040 11.915 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.564 -0.247 10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.716 -1.481 10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.775 -0.976 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.285 -0.396 12.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.682 -2.950 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.028 -1.703 15.013 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.540 -3.069 16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.346 -4.631 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.848 -4.720 15.108 1.00 0.00 H new ATOM 621 N ASP A 37 -1.659 -1.851 7.984 1.00 0.00 N ATOM 622 CA ASP A 37 -2.545 -2.229 6.885 1.00 0.00 C ATOM 623 C ASP A 37 -1.722 -2.580 5.654 1.00 0.00 C ATOM 624 O ASP A 37 -2.025 -3.535 4.931 1.00 0.00 O ATOM 625 CB ASP A 37 -3.552 -1.124 6.576 1.00 0.00 C ATOM 626 CG ASP A 37 -4.707 -1.630 5.739 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.387 -2.597 6.170 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.014 -1.054 4.693 1.00 0.00 O ATOM 0 H ASP A 37 -1.614 -0.851 8.178 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.115 -3.108 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.934 -0.710 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.050 -0.313 6.049 1.00 0.00 H new ATOM 633 N LEU A 38 -0.659 -1.819 5.460 1.00 0.00 N ATOM 634 CA LEU A 38 0.327 -2.030 4.398 1.00 0.00 C ATOM 635 C LEU A 38 0.972 -3.402 4.538 1.00 0.00 C ATOM 636 O LEU A 38 1.106 -4.150 3.567 1.00 0.00 O ATOM 637 CB LEU A 38 1.396 -0.925 4.509 1.00 0.00 C ATOM 638 CG LEU A 38 2.697 -1.092 3.725 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.450 -1.181 2.247 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.632 0.054 4.025 1.00 0.00 C ATOM 0 H LEU A 38 -0.446 -1.014 6.049 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.159 -1.986 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.938 0.013 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.654 -0.818 5.562 1.00 0.00 H new ATOM 0 HG LEU A 38 3.156 -2.029 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.400 -1.299 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.811 -2.039 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.959 -0.270 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.556 -0.074 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.159 0.994 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.856 0.071 5.092 1.00 0.00 H new ATOM 652 N ASP A 39 1.345 -3.715 5.756 1.00 0.00 N ATOM 653 CA ASP A 39 1.995 -4.969 6.108 1.00 0.00 C ATOM 654 C ASP A 39 1.138 -6.162 5.706 1.00 0.00 C ATOM 655 O ASP A 39 1.630 -7.120 5.101 1.00 0.00 O ATOM 656 CB ASP A 39 2.255 -4.982 7.606 1.00 0.00 C ATOM 657 CG ASP A 39 3.008 -6.176 8.073 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.244 -6.197 7.911 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.392 -7.087 8.644 1.00 0.00 O ATOM 0 H ASP A 39 1.205 -3.095 6.553 1.00 0.00 H new ATOM 0 HA ASP A 39 2.939 -5.047 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.811 -4.084 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.301 -4.937 8.132 1.00 0.00 H new ATOM 664 N LYS A 40 -0.160 -6.064 5.987 1.00 0.00 N ATOM 665 CA LYS A 40 -1.099 -7.124 5.639 1.00 0.00 C ATOM 666 C LYS A 40 -1.222 -7.271 4.132 1.00 0.00 C ATOM 667 O LYS A 40 -1.239 -8.380 3.620 1.00 0.00 O ATOM 668 CB LYS A 40 -2.496 -6.872 6.228 1.00 0.00 C ATOM 669 CG LYS A 40 -2.573 -6.909 7.743 1.00 0.00 C ATOM 670 CD LYS A 40 -4.016 -6.764 8.292 1.00 0.00 C ATOM 671 CE LYS A 40 -4.663 -5.389 8.020 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.170 -5.211 6.625 1.00 0.00 N ATOM 0 H LYS A 40 -0.583 -5.262 6.454 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.699 -8.043 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.847 -5.899 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.182 -7.618 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.150 -7.849 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.956 -6.108 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.640 -7.540 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.003 -6.940 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.490 -5.246 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.932 -4.609 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.855 -4.291 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.799 -5.972 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.209 -5.246 6.626 1.00 0.00 H new ATOM 686 N LEU A 41 -1.291 -6.141 3.441 1.00 0.00 N ATOM 687 CA LEU A 41 -1.457 -6.111 1.989 1.00 0.00 C ATOM 688 C LEU A 41 -0.308 -6.834 1.289 1.00 0.00 C ATOM 689 O LEU A 41 -0.527 -7.627 0.360 1.00 0.00 O ATOM 690 CB LEU A 41 -1.591 -4.649 1.508 1.00 0.00 C ATOM 691 CG LEU A 41 -1.711 -4.404 -0.006 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.834 -5.228 -0.602 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.968 -2.935 -0.270 1.00 0.00 C ATOM 0 H LEU A 41 -1.234 -5.217 3.869 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.372 -6.642 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.469 -4.217 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.724 -4.096 1.870 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.774 -4.704 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.897 -5.036 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.637 -6.287 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.777 -4.955 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.052 -2.768 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.895 -2.634 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.142 -2.344 0.126 1.00 0.00 H new ATOM 705 N ILE A 42 0.890 -6.607 1.773 1.00 0.00 N ATOM 706 CA ILE A 42 2.064 -7.225 1.200 1.00 0.00 C ATOM 707 C ILE A 42 2.059 -8.728 1.443 1.00 0.00 C ATOM 708 O ILE A 42 2.044 -9.505 0.487 1.00 0.00 O ATOM 709 CB ILE A 42 3.369 -6.578 1.733 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.387 -5.100 1.340 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.602 -7.301 1.183 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.612 -4.345 1.771 1.00 0.00 C ATOM 0 H ILE A 42 1.079 -5.995 2.567 1.00 0.00 H new ATOM 0 HA ILE A 42 2.033 -7.055 0.124 1.00 0.00 H new ATOM 0 HB ILE A 42 3.397 -6.665 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.295 -5.026 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.510 -4.615 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.504 -6.828 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.578 -8.346 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.602 -7.243 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.533 -3.307 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.698 -4.381 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.496 -4.798 1.322 1.00 0.00 H new ATOM 724 N ASN A 43 1.989 -9.124 2.706 1.00 0.00 N ATOM 725 CA ASN A 43 1.987 -10.549 3.108 1.00 0.00 C ATOM 726 C ASN A 43 0.845 -11.327 2.449 1.00 0.00 C ATOM 727 O ASN A 43 0.967 -12.541 2.190 1.00 0.00 O ATOM 728 CB ASN A 43 1.909 -10.698 4.640 1.00 0.00 C ATOM 729 CG ASN A 43 3.176 -10.253 5.373 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.309 -10.392 4.869 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.005 -9.715 6.552 1.00 0.00 N ATOM 0 H ASN A 43 1.931 -8.476 3.492 1.00 0.00 H new ATOM 0 HA ASN A 43 2.930 -10.973 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.065 -10.116 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.708 -11.741 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.811 -9.394 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.065 -9.616 6.936 1.00 0.00 H new ATOM 738 N LYS A 44 -0.249 -10.629 2.168 1.00 0.00 N ATOM 739 CA LYS A 44 -1.400 -11.205 1.494 1.00 0.00 C ATOM 740 C LYS A 44 -1.018 -11.635 0.078 1.00 0.00 C ATOM 741 O LYS A 44 -1.245 -12.786 -0.313 1.00 0.00 O ATOM 742 CB LYS A 44 -2.530 -10.172 1.423 1.00 0.00 C ATOM 743 CG LYS A 44 -3.832 -10.683 0.818 1.00 0.00 C ATOM 744 CD LYS A 44 -4.866 -9.573 0.695 1.00 0.00 C ATOM 745 CE LYS A 44 -5.282 -9.012 2.052 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.908 -10.030 2.928 1.00 0.00 N ATOM 0 H LYS A 44 -0.360 -9.643 2.404 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.737 -12.076 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.733 -9.808 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.186 -9.319 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.635 -11.108 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.231 -11.486 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.460 -8.769 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.746 -9.956 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.407 -8.598 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.982 -8.190 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.292 -9.568 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.678 -10.504 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.195 -10.733 3.208 1.00 0.00 H new ATOM 760 N PHE A 45 -0.389 -10.727 -0.657 1.00 0.00 N ATOM 761 CA PHE A 45 0.015 -10.985 -2.030 1.00 0.00 C ATOM 762 C PHE A 45 1.186 -11.929 -2.120 1.00 0.00 C ATOM 763 O PHE A 45 1.282 -12.704 -3.070 1.00 0.00 O ATOM 764 CB PHE A 45 0.295 -9.697 -2.797 1.00 0.00 C ATOM 765 CG PHE A 45 -0.933 -9.071 -3.386 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.813 -8.338 -2.608 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.206 -9.227 -4.735 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.942 -7.774 -3.168 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.333 -8.664 -5.298 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.202 -7.938 -4.513 1.00 0.00 C ATOM 0 H PHE A 45 -0.146 -9.796 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.834 -11.477 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.772 -8.981 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.005 -9.907 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.615 -8.206 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.528 -9.796 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.622 -7.204 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.533 -8.792 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.086 -7.498 -4.950 1.00 0.00 H new ATOM 780 N MET A 46 2.067 -11.871 -1.136 1.00 0.00 N ATOM 781 CA MET A 46 3.215 -12.780 -1.059 1.00 0.00 C ATOM 782 C MET A 46 2.723 -14.220 -0.973 1.00 0.00 C ATOM 783 O MET A 46 3.343 -15.138 -1.519 1.00 0.00 O ATOM 784 CB MET A 46 4.038 -12.484 0.196 1.00 0.00 C ATOM 785 CG MET A 46 4.562 -11.065 0.299 1.00 0.00 C ATOM 786 SD MET A 46 5.714 -10.847 1.657 1.00 0.00 S ATOM 787 CE MET A 46 6.998 -11.950 1.117 1.00 0.00 C ATOM 0 H MET A 46 2.014 -11.200 -0.369 1.00 0.00 H new ATOM 0 HA MET A 46 3.828 -12.638 -1.949 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.424 -12.693 1.072 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.884 -13.171 0.228 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.054 -10.795 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.723 -10.381 0.427 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.964 -11.582 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.820 -12.944 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.999 -12.002 0.028 1.00 0.00 H new ATOM 797 N ASN A 47 1.570 -14.379 -0.324 1.00 0.00 N ATOM 798 CA ASN A 47 0.948 -15.670 -0.039 1.00 0.00 C ATOM 799 C ASN A 47 1.850 -16.479 0.867 1.00 0.00 C ATOM 800 O ASN A 47 2.450 -17.488 0.474 1.00 0.00 O ATOM 801 CB ASN A 47 0.528 -16.465 -1.305 1.00 0.00 C ATOM 802 CG ASN A 47 -0.239 -17.751 -0.965 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.941 -17.828 0.050 1.00 0.00 O ATOM 804 ND2 ASN A 47 -0.109 -18.759 -1.792 1.00 0.00 N ATOM 0 H ASN A 47 1.028 -13.590 0.028 1.00 0.00 H new ATOM 0 HA ASN A 47 0.009 -15.466 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.094 -15.832 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.417 -16.718 -1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.594 -19.637 -1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.477 -18.666 -2.622 1.00 0.00 H new ATOM 811 N VAL A 48 2.006 -15.965 2.059 1.00 0.00 N ATOM 812 CA VAL A 48 2.806 -16.537 3.079 1.00 0.00 C ATOM 813 C VAL A 48 2.121 -16.258 4.371 1.00 0.00 C ATOM 814 O VAL A 48 1.188 -15.437 4.427 1.00 0.00 O ATOM 815 CB VAL A 48 4.255 -15.946 3.150 1.00 0.00 C ATOM 816 CG1 VAL A 48 5.095 -16.336 1.950 1.00 0.00 C ATOM 817 CG2 VAL A 48 4.236 -14.426 3.320 1.00 0.00 C ATOM 0 H VAL A 48 1.553 -15.097 2.345 1.00 0.00 H new ATOM 0 HA VAL A 48 2.916 -17.601 2.867 1.00 0.00 H new ATOM 0 HB VAL A 48 4.721 -16.383 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.090 -15.902 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.176 -17.422 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.624 -15.965 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.259 -14.052 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.721 -13.972 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.715 -14.170 4.242 1.00 0.00 H new ATOM 827 N LYS A 49 2.574 -16.889 5.391 1.00 0.00 N ATOM 828 CA LYS A 49 2.022 -16.733 6.711 1.00 0.00 C ATOM 829 C LYS A 49 3.093 -16.062 7.560 1.00 0.00 C ATOM 830 O LYS A 49 3.085 -16.121 8.801 1.00 0.00 O ATOM 831 CB LYS A 49 1.686 -18.121 7.236 1.00 0.00 C ATOM 832 CG LYS A 49 0.913 -18.956 6.214 1.00 0.00 C ATOM 833 CD LYS A 49 0.605 -20.356 6.725 1.00 0.00 C ATOM 834 CE LYS A 49 -0.434 -20.343 7.837 1.00 0.00 C ATOM 835 NZ LYS A 49 -1.735 -19.812 7.369 1.00 0.00 N ATOM 0 H LYS A 49 3.354 -17.544 5.344 1.00 0.00 H new ATOM 0 HA LYS A 49 1.116 -16.127 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.607 -18.639 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.096 -18.029 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.019 -18.449 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.493 -19.027 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.245 -20.972 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.522 -20.818 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.571 -21.355 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.071 -19.736 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.478 -20.064 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.678 -18.777 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.964 -20.222 6.441 1.00 0.00 H new ATOM 849 N ASP A 50 3.972 -15.384 6.826 1.00 0.00 N ATOM 850 CA ASP A 50 5.170 -14.703 7.286 1.00 0.00 C ATOM 851 C ASP A 50 6.211 -15.685 7.784 1.00 0.00 C ATOM 852 O ASP A 50 5.956 -16.518 8.658 1.00 0.00 O ATOM 853 CB ASP A 50 4.905 -13.595 8.289 1.00 0.00 C ATOM 854 CG ASP A 50 6.179 -12.853 8.627 1.00 0.00 C ATOM 855 OD1 ASP A 50 6.995 -13.380 9.390 1.00 0.00 O ATOM 856 OD2 ASP A 50 6.408 -11.760 8.075 1.00 0.00 O ATOM 0 H ASP A 50 3.852 -15.292 5.817 1.00 0.00 H new ATOM 0 HA ASP A 50 5.577 -14.199 6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.172 -12.899 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.474 -14.017 9.197 1.00 0.00 H new ATOM 861 N LYS A 51 7.386 -15.588 7.224 1.00 0.00 N ATOM 862 CA LYS A 51 8.430 -16.527 7.517 1.00 0.00 C ATOM 863 C LYS A 51 9.617 -15.873 8.203 1.00 0.00 C ATOM 864 O LYS A 51 10.711 -16.443 8.267 1.00 0.00 O ATOM 865 CB LYS A 51 8.814 -17.290 6.253 1.00 0.00 C ATOM 866 CG LYS A 51 9.239 -16.413 5.076 1.00 0.00 C ATOM 867 CD LYS A 51 9.363 -17.232 3.799 1.00 0.00 C ATOM 868 CE LYS A 51 10.399 -18.345 3.908 1.00 0.00 C ATOM 869 NZ LYS A 51 10.348 -19.235 2.737 1.00 0.00 N ATOM 0 H LYS A 51 7.644 -14.861 6.557 1.00 0.00 H new ATOM 0 HA LYS A 51 8.052 -17.252 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.630 -17.972 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.967 -17.902 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.510 -15.616 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.193 -15.936 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.393 -17.667 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.631 -16.572 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.395 -17.911 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.222 -18.923 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.098 -20.197 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.632 -18.887 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.278 -19.250 2.272 1.00 0.00 H new ATOM 883 N VAL A 52 9.405 -14.701 8.743 1.00 0.00 N ATOM 884 CA VAL A 52 10.428 -14.053 9.527 1.00 0.00 C ATOM 885 C VAL A 52 10.020 -14.114 10.986 1.00 0.00 C ATOM 886 O VAL A 52 10.849 -14.122 11.887 1.00 0.00 O ATOM 887 CB VAL A 52 10.783 -12.608 9.068 1.00 0.00 C ATOM 888 CG1 VAL A 52 11.377 -12.621 7.669 1.00 0.00 C ATOM 889 CG2 VAL A 52 9.594 -11.674 9.126 1.00 0.00 C ATOM 0 H VAL A 52 8.535 -14.175 8.656 1.00 0.00 H new ATOM 0 HA VAL A 52 11.360 -14.598 9.373 1.00 0.00 H new ATOM 0 HB VAL A 52 11.526 -12.227 9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.618 -11.602 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.284 -13.225 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.655 -13.045 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.896 -10.680 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.805 -12.049 8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.224 -11.619 10.150 1.00 0.00 H new ATOM 899 N HIS A 53 8.735 -14.167 11.199 1.00 0.00 N ATOM 900 CA HIS A 53 8.180 -14.445 12.475 1.00 0.00 C ATOM 901 C HIS A 53 7.702 -15.890 12.440 1.00 0.00 C ATOM 902 O HIS A 53 6.542 -16.179 12.108 1.00 0.00 O ATOM 903 CB HIS A 53 7.032 -13.463 12.816 1.00 0.00 C ATOM 904 CG HIS A 53 6.352 -13.722 14.139 1.00 0.00 C ATOM 905 ND1 HIS A 53 4.995 -13.913 14.278 1.00 0.00 N ATOM 906 CD2 HIS A 53 6.867 -13.798 15.390 1.00 0.00 C ATOM 907 CE1 HIS A 53 4.728 -14.096 15.565 1.00 0.00 C ATOM 908 NE2 HIS A 53 5.833 -14.034 16.293 1.00 0.00 N ATOM 0 H HIS A 53 8.038 -14.014 10.470 1.00 0.00 H new ATOM 0 HA HIS A 53 8.923 -14.312 13.261 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.430 -12.448 12.820 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.285 -13.510 12.024 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.911 -13.693 15.646 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.741 -14.272 15.966 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.911 -14.138 17.305 1.00 0.00 H new ATOM 916 N LYS A 54 8.624 -16.784 12.675 1.00 0.00 N ATOM 917 CA LYS A 54 8.370 -18.197 12.674 1.00 0.00 C ATOM 918 C LYS A 54 9.133 -18.795 13.826 1.00 0.00 C ATOM 919 O LYS A 54 10.189 -18.276 14.202 1.00 0.00 O ATOM 920 CB LYS A 54 8.819 -18.839 11.336 1.00 0.00 C ATOM 921 CG LYS A 54 8.622 -20.363 11.277 1.00 0.00 C ATOM 922 CD LYS A 54 9.095 -20.981 9.967 1.00 0.00 C ATOM 923 CE LYS A 54 8.239 -20.551 8.783 1.00 0.00 C ATOM 924 NZ LYS A 54 8.655 -21.222 7.523 1.00 0.00 N ATOM 0 H LYS A 54 9.594 -16.543 12.877 1.00 0.00 H new ATOM 0 HA LYS A 54 7.302 -18.387 12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.263 -18.379 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.872 -18.612 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.161 -20.824 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.566 -20.592 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.131 -20.695 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.074 -22.067 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.194 -20.781 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.309 -19.470 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.047 -20.902 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.645 -20.982 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.564 -22.252 7.632 1.00 0.00 H new ATOM 938 N LEU A 55 8.590 -19.828 14.409 1.00 0.00 N ATOM 939 CA LEU A 55 9.240 -20.502 15.495 1.00 0.00 C ATOM 940 C LEU A 55 10.215 -21.525 14.945 1.00 0.00 C ATOM 941 O LEU A 55 9.946 -22.168 13.922 1.00 0.00 O ATOM 942 CB LEU A 55 8.228 -21.195 16.448 1.00 0.00 C ATOM 943 CG LEU A 55 7.329 -20.298 17.339 1.00 0.00 C ATOM 944 CD1 LEU A 55 6.313 -19.501 16.534 1.00 0.00 C ATOM 945 CD2 LEU A 55 6.633 -21.135 18.401 1.00 0.00 C ATOM 0 H LEU A 55 7.688 -20.224 14.145 1.00 0.00 H new ATOM 0 HA LEU A 55 9.773 -19.752 16.079 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.575 -21.823 15.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.790 -21.860 17.104 1.00 0.00 H new ATOM 0 HG LEU A 55 7.983 -19.573 17.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.712 -18.892 17.209 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.834 -18.854 15.828 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.664 -20.185 15.988 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.006 -20.492 19.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.014 -21.892 17.920 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.380 -21.622 19.027 1.00 0.00 H new ATOM 957 N GLU A 56 11.352 -21.642 15.585 1.00 0.00 N ATOM 958 CA GLU A 56 12.326 -22.632 15.209 1.00 0.00 C ATOM 959 C GLU A 56 11.829 -23.982 15.741 1.00 0.00 C ATOM 960 O GLU A 56 11.182 -24.028 16.796 1.00 0.00 O ATOM 961 CB GLU A 56 13.687 -22.269 15.815 1.00 0.00 C ATOM 962 CG GLU A 56 14.841 -23.106 15.308 1.00 0.00 C ATOM 963 CD GLU A 56 15.060 -22.941 13.823 1.00 0.00 C ATOM 964 OE1 GLU A 56 15.825 -22.037 13.420 1.00 0.00 O ATOM 965 OE2 GLU A 56 14.491 -23.731 13.030 1.00 0.00 O ATOM 0 H GLU A 56 11.626 -21.058 16.375 1.00 0.00 H new ATOM 0 HA GLU A 56 12.448 -22.680 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.896 -21.220 15.606 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.628 -22.372 16.898 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.750 -22.827 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.651 -24.156 15.530 1.00 0.00 H new ATOM 972 N HIS A 57 12.081 -25.054 15.030 1.00 0.00 N ATOM 973 CA HIS A 57 11.566 -26.360 15.439 1.00 0.00 C ATOM 974 C HIS A 57 12.687 -27.362 15.598 1.00 0.00 C ATOM 975 O HIS A 57 13.625 -27.373 14.806 1.00 0.00 O ATOM 976 CB HIS A 57 10.533 -26.879 14.434 1.00 0.00 C ATOM 977 CG HIS A 57 9.281 -26.048 14.336 1.00 0.00 C ATOM 978 ND1 HIS A 57 9.053 -25.099 13.360 1.00 0.00 N ATOM 979 CD2 HIS A 57 8.170 -26.049 15.112 1.00 0.00 C ATOM 980 CE1 HIS A 57 7.850 -24.568 13.566 1.00 0.00 C ATOM 981 NE2 HIS A 57 7.267 -25.111 14.622 1.00 0.00 N ATOM 0 H HIS A 57 12.633 -25.060 14.172 1.00 0.00 H new ATOM 0 HA HIS A 57 11.078 -26.234 16.406 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.997 -26.930 13.449 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.257 -27.897 14.709 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.011 -26.679 15.975 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.409 -23.796 12.953 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.346 -24.888 14.999 1.00 0.00 H new ATOM 989 N HIS A 58 12.591 -28.207 16.605 1.00 0.00 N ATOM 990 CA HIS A 58 13.637 -29.178 16.876 1.00 0.00 C ATOM 991 C HIS A 58 13.336 -30.528 16.228 1.00 0.00 C ATOM 992 O HIS A 58 14.216 -31.378 16.122 1.00 0.00 O ATOM 993 CB HIS A 58 13.896 -29.347 18.405 1.00 0.00 C ATOM 994 CG HIS A 58 12.784 -30.019 19.207 1.00 0.00 C ATOM 995 ND1 HIS A 58 11.925 -29.356 20.052 1.00 0.00 N ATOM 996 CD2 HIS A 58 12.441 -31.333 19.297 1.00 0.00 C ATOM 997 CE1 HIS A 58 11.111 -30.250 20.613 1.00 0.00 C ATOM 998 NE2 HIS A 58 11.380 -31.474 20.186 1.00 0.00 N ATOM 0 H HIS A 58 11.801 -28.243 17.250 1.00 0.00 H new ATOM 0 HA HIS A 58 14.549 -28.785 16.427 1.00 0.00 H new ATOM 0 HB2 HIS A 58 14.810 -29.926 18.536 1.00 0.00 H new ATOM 0 HB3 HIS A 58 14.079 -28.361 18.832 1.00 0.00 H new ATOM 0 HD2 HIS A 58 12.918 -32.141 18.762 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.334 -30.008 21.323 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.909 -32.338 20.453 1.00 0.00 H new ATOM 1006 N HIS A 59 12.096 -30.717 15.791 1.00 0.00 N ATOM 1007 CA HIS A 59 11.662 -32.004 15.218 1.00 0.00 C ATOM 1008 C HIS A 59 12.283 -32.295 13.842 1.00 0.00 C ATOM 1009 O HIS A 59 12.094 -33.372 13.285 1.00 0.00 O ATOM 1010 CB HIS A 59 10.115 -32.127 15.167 1.00 0.00 C ATOM 1011 CG HIS A 59 9.400 -31.123 14.287 1.00 0.00 C ATOM 1012 ND1 HIS A 59 8.611 -30.100 14.762 1.00 0.00 N ATOM 1013 CD2 HIS A 59 9.330 -31.039 12.939 1.00 0.00 C ATOM 1014 CE1 HIS A 59 8.101 -29.446 13.724 1.00 0.00 C ATOM 1015 NE2 HIS A 59 8.506 -29.976 12.588 1.00 0.00 N ATOM 0 H HIS A 59 11.369 -30.003 15.819 1.00 0.00 H new ATOM 0 HA HIS A 59 12.038 -32.767 15.899 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.861 -33.129 14.822 1.00 0.00 H new ATOM 0 HB3 HIS A 59 9.729 -32.032 16.182 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.835 -31.694 12.245 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.442 -28.594 13.801 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.265 -29.670 11.645 1.00 0.00 H new ATOM 1023 N HIS A 60 13.002 -31.349 13.306 1.00 0.00 N ATOM 1024 CA HIS A 60 13.643 -31.522 12.036 1.00 0.00 C ATOM 1025 C HIS A 60 15.058 -31.006 12.133 1.00 0.00 C ATOM 1026 O HIS A 60 15.336 -30.062 12.886 1.00 0.00 O ATOM 1027 CB HIS A 60 12.867 -30.803 10.884 1.00 0.00 C ATOM 1028 CG HIS A 60 12.858 -29.288 10.940 1.00 0.00 C ATOM 1029 ND1 HIS A 60 13.382 -28.473 9.951 1.00 0.00 N ATOM 1030 CD2 HIS A 60 12.367 -28.451 11.883 1.00 0.00 C ATOM 1031 CE1 HIS A 60 13.205 -27.209 10.319 1.00 0.00 C ATOM 1032 NE2 HIS A 60 12.591 -27.133 11.488 1.00 0.00 N ATOM 0 H HIS A 60 13.159 -30.438 13.738 1.00 0.00 H new ATOM 0 HA HIS A 60 13.650 -32.584 11.790 1.00 0.00 H new ATOM 0 HB2 HIS A 60 13.301 -31.110 9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.835 -31.154 10.892 1.00 0.00 H new ATOM 0 HD1 HIS A 60 13.827 -28.789 9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.879 -28.756 12.797 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.521 -26.355 9.739 1.00 0.00 H new ATOM 1040 N HIS A 61 15.954 -31.645 11.450 1.00 0.00 N ATOM 1041 CA HIS A 61 17.313 -31.158 11.376 1.00 0.00 C ATOM 1042 C HIS A 61 17.401 -30.232 10.196 1.00 0.00 C ATOM 1043 O HIS A 61 18.013 -29.166 10.255 1.00 0.00 O ATOM 1044 CB HIS A 61 18.332 -32.298 11.241 1.00 0.00 C ATOM 1045 CG HIS A 61 18.445 -33.185 12.449 1.00 0.00 C ATOM 1046 ND1 HIS A 61 19.247 -32.904 13.533 1.00 0.00 N ATOM 1047 CD2 HIS A 61 17.857 -34.375 12.718 1.00 0.00 C ATOM 1048 CE1 HIS A 61 19.133 -33.904 14.406 1.00 0.00 C ATOM 1049 NE2 HIS A 61 18.296 -34.829 13.961 1.00 0.00 N ATOM 0 H HIS A 61 15.779 -32.506 10.932 1.00 0.00 H new ATOM 0 HA HIS A 61 17.558 -30.637 12.301 1.00 0.00 H new ATOM 0 HB2 HIS A 61 18.060 -32.911 10.381 1.00 0.00 H new ATOM 0 HB3 HIS A 61 19.311 -31.869 11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 61 17.160 -34.890 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 61 19.654 -33.954 15.351 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.028 -35.694 14.430 1.00 0.00 H new ATOM 1057 N HIS A 62 16.733 -30.630 9.156 1.00 0.00 N ATOM 1058 CA HIS A 62 16.630 -29.895 7.937 1.00 0.00 C ATOM 1059 C HIS A 62 15.171 -29.920 7.517 1.00 0.00 C ATOM 1060 O HIS A 62 14.536 -28.869 7.482 1.00 0.00 O ATOM 1061 CB HIS A 62 17.585 -30.459 6.837 1.00 0.00 C ATOM 1062 CG HIS A 62 17.409 -31.923 6.491 1.00 0.00 C ATOM 1063 ND1 HIS A 62 18.045 -32.955 7.149 1.00 0.00 N ATOM 1064 CD2 HIS A 62 16.664 -32.510 5.528 1.00 0.00 C ATOM 1065 CE1 HIS A 62 17.678 -34.102 6.585 1.00 0.00 C ATOM 1066 NE2 HIS A 62 16.838 -33.892 5.592 1.00 0.00 N ATOM 1067 OXT HIS A 62 14.614 -31.026 7.367 1.00 0.00 O ATOM 0 H HIS A 62 16.224 -31.514 9.135 1.00 0.00 H new ATOM 0 HA HIS A 62 16.950 -28.864 8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 62 17.447 -29.872 5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.614 -30.304 7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.034 -31.991 4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 62 18.023 -35.076 6.899 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.404 -34.595 4.994 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 9.630 20.693 2.168 1.00 0.00 N ATOM 1077 CA MET B 1 8.846 21.833 1.682 1.00 0.00 C ATOM 1078 C MET B 1 8.111 21.459 0.407 1.00 0.00 C ATOM 1079 O MET B 1 6.882 21.457 0.377 1.00 0.00 O ATOM 1080 CB MET B 1 9.747 23.084 1.478 1.00 0.00 C ATOM 1081 CG MET B 1 9.022 24.373 1.041 1.00 0.00 C ATOM 1082 SD MET B 1 8.475 24.372 -0.687 1.00 0.00 S ATOM 1083 CE MET B 1 7.599 25.924 -0.765 1.00 0.00 C ATOM 0 H1 MET B 1 10.128 20.961 3.041 1.00 0.00 H new ATOM 0 H2 MET B 1 8.995 19.893 2.364 1.00 0.00 H new ATOM 0 H3 MET B 1 10.324 20.415 1.445 1.00 0.00 H new ATOM 0 HA MET B 1 8.103 22.092 2.436 1.00 0.00 H new ATOM 0 HB2 MET B 1 10.273 23.285 2.411 1.00 0.00 H new ATOM 0 HB3 MET B 1 10.504 22.845 0.731 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.155 24.524 1.684 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.688 25.222 1.199 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.202 26.068 -1.770 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.778 25.915 -0.048 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.281 26.739 -0.525 1.00 0.00 H new ATOM 1095 N GLU B 2 8.851 21.144 -0.645 1.00 0.00 N ATOM 1096 CA GLU B 2 8.253 20.804 -1.910 1.00 0.00 C ATOM 1097 C GLU B 2 7.773 19.351 -1.805 1.00 0.00 C ATOM 1098 O GLU B 2 8.429 18.516 -1.167 1.00 0.00 O ATOM 1099 CB GLU B 2 9.296 21.017 -3.028 1.00 0.00 C ATOM 1100 CG GLU B 2 8.737 21.276 -4.432 1.00 0.00 C ATOM 1101 CD GLU B 2 7.964 20.132 -5.007 1.00 0.00 C ATOM 1102 OE1 GLU B 2 8.585 19.189 -5.538 1.00 0.00 O ATOM 1103 OE2 GLU B 2 6.716 20.131 -4.917 1.00 0.00 O ATOM 0 H GLU B 2 9.871 21.119 -0.639 1.00 0.00 H new ATOM 0 HA GLU B 2 7.398 21.434 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU B 2 9.929 21.859 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU B 2 9.937 20.137 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.092 22.154 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU B 2 9.564 21.514 -5.101 1.00 0.00 H new ATOM 1110 N MET B 3 6.653 19.049 -2.402 1.00 0.00 N ATOM 1111 CA MET B 3 6.049 17.748 -2.208 1.00 0.00 C ATOM 1112 C MET B 3 6.146 16.864 -3.424 1.00 0.00 C ATOM 1113 O MET B 3 5.986 15.663 -3.301 1.00 0.00 O ATOM 1114 CB MET B 3 4.592 17.841 -1.740 1.00 0.00 C ATOM 1115 CG MET B 3 3.650 18.486 -2.764 1.00 0.00 C ATOM 1116 SD MET B 3 1.910 18.466 -2.265 1.00 0.00 S ATOM 1117 CE MET B 3 1.605 16.706 -2.148 1.00 0.00 C ATOM 0 H MET B 3 6.140 19.675 -3.022 1.00 0.00 H new ATOM 0 HA MET B 3 6.634 17.283 -1.414 1.00 0.00 H new ATOM 0 HB2 MET B 3 4.230 16.839 -1.509 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.554 18.415 -0.814 1.00 0.00 H new ATOM 0 HG2 MET B 3 3.959 19.518 -2.930 1.00 0.00 H new ATOM 0 HG3 MET B 3 3.752 17.966 -3.716 1.00 0.00 H new ATOM 0 HE1 MET B 3 0.624 16.478 -2.564 1.00 0.00 H new ATOM 0 HE2 MET B 3 2.370 16.166 -2.706 1.00 0.00 H new ATOM 0 HE3 MET B 3 1.635 16.400 -1.102 1.00 0.00 H new ATOM 1127 N GLY B 4 6.405 17.436 -4.578 1.00 0.00 N ATOM 1128 CA GLY B 4 6.544 16.629 -5.775 1.00 0.00 C ATOM 1129 C GLY B 4 7.743 15.735 -5.639 1.00 0.00 C ATOM 1130 O GLY B 4 7.669 14.533 -5.883 1.00 0.00 O ATOM 0 H GLY B 4 6.523 18.440 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY B 4 5.646 16.030 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY B 4 6.653 17.271 -6.649 1.00 0.00 H new ATOM 1134 N GLN B 5 8.835 16.325 -5.183 1.00 0.00 N ATOM 1135 CA GLN B 5 10.061 15.589 -4.904 1.00 0.00 C ATOM 1136 C GLN B 5 9.835 14.493 -3.870 1.00 0.00 C ATOM 1137 O GLN B 5 10.310 13.371 -4.021 1.00 0.00 O ATOM 1138 CB GLN B 5 11.176 16.523 -4.438 1.00 0.00 C ATOM 1139 CG GLN B 5 10.802 17.488 -3.332 1.00 0.00 C ATOM 1140 CD GLN B 5 12.003 18.232 -2.799 1.00 0.00 C ATOM 1141 OE1 GLN B 5 12.635 17.798 -1.844 1.00 0.00 O ATOM 1142 NE2 GLN B 5 12.360 19.318 -3.428 1.00 0.00 N ATOM 0 H GLN B 5 8.899 17.326 -4.995 1.00 0.00 H new ATOM 0 HA GLN B 5 10.368 15.120 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN B 5 12.015 15.916 -4.098 1.00 0.00 H new ATOM 0 HB3 GLN B 5 11.525 17.099 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.070 18.203 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN B 5 10.325 16.940 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN B 5 11.811 19.652 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN B 5 13.188 19.833 -3.128 1.00 0.00 H new ATOM 1151 N LEU B 6 9.079 14.822 -2.855 1.00 0.00 N ATOM 1152 CA LEU B 6 8.795 13.922 -1.768 1.00 0.00 C ATOM 1153 C LEU B 6 7.905 12.768 -2.255 1.00 0.00 C ATOM 1154 O LEU B 6 8.182 11.595 -1.989 1.00 0.00 O ATOM 1155 CB LEU B 6 8.170 14.750 -0.600 1.00 0.00 C ATOM 1156 CG LEU B 6 7.743 14.036 0.701 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.446 13.281 0.525 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.839 13.107 1.201 1.00 0.00 C ATOM 0 H LEU B 6 8.637 15.736 -2.759 1.00 0.00 H new ATOM 0 HA LEU B 6 9.704 13.452 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.889 15.522 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.291 15.259 -0.996 1.00 0.00 H new ATOM 0 HG LEU B 6 7.578 14.808 1.452 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.179 12.792 1.462 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.656 13.976 0.241 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.566 12.529 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.511 12.618 2.118 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.051 12.353 0.443 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.742 13.684 1.401 1.00 0.00 H new ATOM 1170 N LYS B 7 6.881 13.111 -3.007 1.00 0.00 N ATOM 1171 CA LYS B 7 5.925 12.148 -3.535 1.00 0.00 C ATOM 1172 C LYS B 7 6.635 11.214 -4.513 1.00 0.00 C ATOM 1173 O LYS B 7 6.322 10.027 -4.598 1.00 0.00 O ATOM 1174 CB LYS B 7 4.780 12.909 -4.219 1.00 0.00 C ATOM 1175 CG LYS B 7 3.370 12.398 -3.909 1.00 0.00 C ATOM 1176 CD LYS B 7 2.995 11.096 -4.616 1.00 0.00 C ATOM 1177 CE LYS B 7 2.946 11.271 -6.127 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.276 10.138 -6.791 1.00 0.00 N ATOM 0 H LYS B 7 6.683 14.075 -3.274 1.00 0.00 H new ATOM 0 HA LYS B 7 5.507 11.542 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.839 13.958 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.933 12.868 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.280 12.251 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.650 13.167 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.720 10.322 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.024 10.753 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.421 12.195 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.960 11.370 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.675 10.008 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.423 9.273 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.257 10.333 -6.866 1.00 0.00 H new ATOM 1192 N ASN B 8 7.610 11.760 -5.225 1.00 0.00 N ATOM 1193 CA ASN B 8 8.428 10.992 -6.154 1.00 0.00 C ATOM 1194 C ASN B 8 9.248 9.944 -5.406 1.00 0.00 C ATOM 1195 O ASN B 8 9.337 8.812 -5.842 1.00 0.00 O ATOM 1196 CB ASN B 8 9.351 11.914 -6.964 1.00 0.00 C ATOM 1197 CG ASN B 8 10.213 11.172 -7.982 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.819 10.137 -8.534 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.383 11.692 -8.244 1.00 0.00 N ATOM 0 H ASN B 8 7.857 12.748 -5.175 1.00 0.00 H new ATOM 0 HA ASN B 8 7.761 10.482 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.745 12.655 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.000 12.458 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.001 11.243 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.679 12.546 -7.772 1.00 0.00 H new ATOM 1206 N LYS B 9 9.819 10.325 -4.253 1.00 0.00 N ATOM 1207 CA LYS B 9 10.620 9.382 -3.435 1.00 0.00 C ATOM 1208 C LYS B 9 9.717 8.256 -2.925 1.00 0.00 C ATOM 1209 O LYS B 9 10.122 7.100 -2.852 1.00 0.00 O ATOM 1210 CB LYS B 9 11.252 10.077 -2.210 1.00 0.00 C ATOM 1211 CG LYS B 9 12.052 11.335 -2.495 1.00 0.00 C ATOM 1212 CD LYS B 9 13.210 11.100 -3.449 1.00 0.00 C ATOM 1213 CE LYS B 9 13.936 12.406 -3.710 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.036 12.265 -4.681 1.00 0.00 N ATOM 0 H LYS B 9 9.747 11.265 -3.864 1.00 0.00 H new ATOM 0 HA LYS B 9 11.416 8.995 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.456 10.328 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.904 9.362 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.390 12.092 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.437 11.734 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.899 10.369 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.841 10.685 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.224 13.144 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.334 12.789 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.496 13.187 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.732 11.582 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.657 11.926 -5.588 1.00 0.00 H new ATOM 1228 N ILE B 10 8.502 8.625 -2.564 1.00 0.00 N ATOM 1229 CA ILE B 10 7.490 7.683 -2.118 1.00 0.00 C ATOM 1230 C ILE B 10 7.155 6.700 -3.227 1.00 0.00 C ATOM 1231 O ILE B 10 7.124 5.489 -2.995 1.00 0.00 O ATOM 1232 CB ILE B 10 6.242 8.444 -1.633 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.602 9.145 -0.326 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.026 7.527 -1.470 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.497 9.939 0.275 1.00 0.00 C ATOM 0 H ILE B 10 8.186 9.595 -2.572 1.00 0.00 H new ATOM 0 HA ILE B 10 7.879 7.107 -1.278 1.00 0.00 H new ATOM 0 HB ILE B 10 5.950 9.178 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.927 8.396 0.395 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.451 9.805 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.173 8.112 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.787 7.065 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.251 6.750 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.842 10.401 1.200 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.185 10.715 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.653 9.283 0.490 1.00 0.00 H new ATOM 1247 N GLU B 11 6.941 7.220 -4.440 1.00 0.00 N ATOM 1248 CA GLU B 11 6.723 6.369 -5.607 1.00 0.00 C ATOM 1249 C GLU B 11 7.915 5.465 -5.797 1.00 0.00 C ATOM 1250 O GLU B 11 7.772 4.258 -5.917 1.00 0.00 O ATOM 1251 CB GLU B 11 6.519 7.190 -6.887 1.00 0.00 C ATOM 1252 CG GLU B 11 5.256 8.023 -6.932 1.00 0.00 C ATOM 1253 CD GLU B 11 4.001 7.197 -6.816 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.931 6.083 -7.400 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.058 7.634 -6.118 1.00 0.00 O ATOM 0 H GLU B 11 6.915 8.221 -4.636 1.00 0.00 H new ATOM 0 HA GLU B 11 5.819 5.788 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.375 7.853 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.515 6.509 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.280 8.753 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.230 8.584 -7.866 1.00 0.00 H new ATOM 1262 N ASN B 12 9.068 6.080 -5.769 1.00 0.00 N ATOM 1263 CA ASN B 12 10.367 5.449 -5.942 1.00 0.00 C ATOM 1264 C ASN B 12 10.549 4.246 -5.020 1.00 0.00 C ATOM 1265 O ASN B 12 10.834 3.130 -5.481 1.00 0.00 O ATOM 1266 CB ASN B 12 11.456 6.501 -5.651 1.00 0.00 C ATOM 1267 CG ASN B 12 12.874 5.980 -5.670 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.386 5.491 -4.665 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.533 6.143 -6.769 1.00 0.00 N ATOM 0 H ASN B 12 9.139 7.086 -5.618 1.00 0.00 H new ATOM 0 HA ASN B 12 10.443 5.081 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.370 7.302 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.261 6.942 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.512 5.862 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.074 6.552 -7.583 1.00 0.00 H new ATOM 1276 N LYS B 13 10.340 4.471 -3.745 1.00 0.00 N ATOM 1277 CA LYS B 13 10.592 3.475 -2.739 1.00 0.00 C ATOM 1278 C LYS B 13 9.536 2.374 -2.779 1.00 0.00 C ATOM 1279 O LYS B 13 9.855 1.192 -2.637 1.00 0.00 O ATOM 1280 CB LYS B 13 10.660 4.140 -1.370 1.00 0.00 C ATOM 1281 CG LYS B 13 11.477 3.376 -0.340 1.00 0.00 C ATOM 1282 CD LYS B 13 12.915 3.133 -0.823 1.00 0.00 C ATOM 1283 CE LYS B 13 13.629 4.413 -1.235 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.979 4.142 -1.762 1.00 0.00 N ATOM 0 H LYS B 13 9.989 5.355 -3.377 1.00 0.00 H new ATOM 0 HA LYS B 13 11.552 2.999 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.084 5.138 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.646 4.267 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.497 3.934 0.596 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.997 2.420 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.482 2.647 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.897 2.445 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.040 4.930 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.701 5.081 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.561 5.000 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.417 3.374 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.912 3.861 -2.761 1.00 0.00 H new ATOM 1298 N LYS B 14 8.290 2.773 -2.983 1.00 0.00 N ATOM 1299 CA LYS B 14 7.183 1.861 -3.162 1.00 0.00 C ATOM 1300 C LYS B 14 7.461 0.949 -4.339 1.00 0.00 C ATOM 1301 O LYS B 14 7.307 -0.243 -4.242 1.00 0.00 O ATOM 1302 CB LYS B 14 5.910 2.656 -3.427 1.00 0.00 C ATOM 1303 CG LYS B 14 4.704 1.813 -3.808 1.00 0.00 C ATOM 1304 CD LYS B 14 3.493 2.675 -4.148 1.00 0.00 C ATOM 1305 CE LYS B 14 3.766 3.590 -5.327 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.604 4.443 -5.667 1.00 0.00 N ATOM 0 H LYS B 14 8.021 3.756 -3.029 1.00 0.00 H new ATOM 0 HA LYS B 14 7.059 1.261 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.666 3.233 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.104 3.371 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.955 1.186 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.454 1.144 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.642 2.033 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.217 3.273 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.623 4.224 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.036 2.988 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.819 4.999 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.773 3.843 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.403 5.087 -4.875 1.00 0.00 H new ATOM 1320 N LYS B 15 7.891 1.535 -5.439 1.00 0.00 N ATOM 1321 CA LYS B 15 8.211 0.798 -6.646 1.00 0.00 C ATOM 1322 C LYS B 15 9.354 -0.175 -6.421 1.00 0.00 C ATOM 1323 O LYS B 15 9.308 -1.299 -6.912 1.00 0.00 O ATOM 1324 CB LYS B 15 8.447 1.760 -7.807 1.00 0.00 C ATOM 1325 CG LYS B 15 7.145 2.349 -8.366 1.00 0.00 C ATOM 1326 CD LYS B 15 7.393 3.627 -9.150 1.00 0.00 C ATOM 1327 CE LYS B 15 6.185 4.035 -10.006 1.00 0.00 C ATOM 1328 NZ LYS B 15 4.931 4.268 -9.225 1.00 0.00 N ATOM 0 H LYS B 15 8.029 2.542 -5.521 1.00 0.00 H new ATOM 0 HA LYS B 15 7.356 0.179 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.094 2.572 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.976 1.237 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.662 1.615 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.457 2.554 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.633 4.434 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.262 3.492 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.433 4.944 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.999 3.257 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.145 4.456 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.714 3.425 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.061 5.086 -8.596 1.00 0.00 H new ATOM 1342 N GLU B 16 10.347 0.232 -5.634 1.00 0.00 N ATOM 1343 CA GLU B 16 11.428 -0.672 -5.240 1.00 0.00 C ATOM 1344 C GLU B 16 10.871 -1.860 -4.467 1.00 0.00 C ATOM 1345 O GLU B 16 11.312 -3.007 -4.636 1.00 0.00 O ATOM 1346 CB GLU B 16 12.475 0.033 -4.383 1.00 0.00 C ATOM 1347 CG GLU B 16 13.368 0.989 -5.119 1.00 0.00 C ATOM 1348 CD GLU B 16 14.484 1.465 -4.236 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.269 0.617 -3.761 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.587 2.674 -3.974 1.00 0.00 O ATOM 0 H GLU B 16 10.427 1.177 -5.257 1.00 0.00 H new ATOM 0 HA GLU B 16 11.907 -1.016 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.964 0.577 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.097 -0.723 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.780 0.501 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.786 1.842 -5.468 1.00 0.00 H new ATOM 1357 N LEU B 17 9.901 -1.580 -3.635 1.00 0.00 N ATOM 1358 CA LEU B 17 9.244 -2.586 -2.851 1.00 0.00 C ATOM 1359 C LEU B 17 8.409 -3.492 -3.734 1.00 0.00 C ATOM 1360 O LEU B 17 8.442 -4.709 -3.573 1.00 0.00 O ATOM 1361 CB LEU B 17 8.416 -1.918 -1.723 1.00 0.00 C ATOM 1362 CG LEU B 17 7.405 -2.778 -0.933 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.126 -3.009 -1.687 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.029 -4.067 -0.419 1.00 0.00 C ATOM 0 H LEU B 17 9.544 -0.637 -3.483 1.00 0.00 H new ATOM 0 HA LEU B 17 9.990 -3.222 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.118 -1.492 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.867 -1.086 -2.165 1.00 0.00 H new ATOM 0 HG LEU B 17 7.127 -2.199 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.453 -3.619 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.652 -2.051 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.343 -3.525 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.281 -4.639 0.130 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.391 -4.657 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.862 -3.829 0.243 1.00 0.00 H new ATOM 1376 N ILE B 18 7.654 -2.897 -4.644 1.00 0.00 N ATOM 1377 CA ILE B 18 6.807 -3.646 -5.561 1.00 0.00 C ATOM 1378 C ILE B 18 7.647 -4.670 -6.312 1.00 0.00 C ATOM 1379 O ILE B 18 7.255 -5.819 -6.444 1.00 0.00 O ATOM 1380 CB ILE B 18 6.072 -2.715 -6.566 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.165 -1.742 -5.813 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.247 -3.534 -7.574 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.613 -0.629 -6.668 1.00 0.00 C ATOM 0 H ILE B 18 7.610 -1.886 -4.768 1.00 0.00 H new ATOM 0 HA ILE B 18 6.044 -4.155 -4.972 1.00 0.00 H new ATOM 0 HB ILE B 18 6.822 -2.150 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.334 -2.298 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.725 -1.307 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.743 -2.859 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.908 -4.197 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.505 -4.127 -7.040 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.980 0.017 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.436 -0.046 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.024 -1.053 -7.481 1.00 0.00 H new ATOM 1395 N GLN B 19 8.831 -4.242 -6.739 1.00 0.00 N ATOM 1396 CA GLN B 19 9.791 -5.113 -7.407 1.00 0.00 C ATOM 1397 C GLN B 19 10.167 -6.304 -6.513 1.00 0.00 C ATOM 1398 O GLN B 19 10.303 -7.436 -6.992 1.00 0.00 O ATOM 1399 CB GLN B 19 11.054 -4.338 -7.783 1.00 0.00 C ATOM 1400 CG GLN B 19 10.849 -3.238 -8.809 1.00 0.00 C ATOM 1401 CD GLN B 19 12.133 -2.487 -9.116 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.020 -2.350 -8.262 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.253 -2.006 -10.324 1.00 0.00 N ATOM 0 H GLN B 19 9.152 -3.280 -6.631 1.00 0.00 H new ATOM 0 HA GLN B 19 9.319 -5.489 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.475 -3.897 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.792 -5.041 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.456 -3.671 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.100 -2.537 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.503 -2.137 -11.002 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.097 -1.499 -10.589 1.00 0.00 H new ATOM 1412 N LEU B 20 10.314 -6.048 -5.222 1.00 0.00 N ATOM 1413 CA LEU B 20 10.659 -7.084 -4.250 1.00 0.00 C ATOM 1414 C LEU B 20 9.505 -8.054 -4.058 1.00 0.00 C ATOM 1415 O LEU B 20 9.701 -9.268 -4.114 1.00 0.00 O ATOM 1416 CB LEU B 20 11.072 -6.487 -2.904 1.00 0.00 C ATOM 1417 CG LEU B 20 12.318 -5.604 -2.899 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.560 -5.055 -1.510 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.538 -6.378 -3.381 1.00 0.00 C ATOM 0 H LEU B 20 10.199 -5.120 -4.815 1.00 0.00 H new ATOM 0 HA LEU B 20 11.514 -7.627 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.237 -5.900 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.233 -7.306 -2.203 1.00 0.00 H new ATOM 0 HG LEU B 20 12.152 -4.774 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.451 -4.427 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.700 -4.462 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.704 -5.880 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.411 -5.726 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.711 -7.230 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.366 -6.733 -4.397 1.00 0.00 H new ATOM 1431 N VAL B 21 8.303 -7.526 -3.824 1.00 0.00 N ATOM 1432 CA VAL B 21 7.117 -8.376 -3.698 1.00 0.00 C ATOM 1433 C VAL B 21 6.903 -9.188 -4.994 1.00 0.00 C ATOM 1434 O VAL B 21 6.583 -10.372 -4.959 1.00 0.00 O ATOM 1435 CB VAL B 21 5.849 -7.538 -3.390 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.655 -8.424 -3.067 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.114 -6.582 -2.259 1.00 0.00 C ATOM 0 H VAL B 21 8.125 -6.527 -3.719 1.00 0.00 H new ATOM 0 HA VAL B 21 7.285 -9.058 -2.865 1.00 0.00 H new ATOM 0 HB VAL B 21 5.604 -6.968 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.786 -7.801 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.441 -9.070 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.882 -9.036 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.214 -6.001 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.394 -7.142 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.926 -5.909 -2.534 1.00 0.00 H new ATOM 1447 N ALA B 22 7.131 -8.547 -6.121 1.00 0.00 N ATOM 1448 CA ALA B 22 6.994 -9.167 -7.427 1.00 0.00 C ATOM 1449 C ALA B 22 7.953 -10.347 -7.603 1.00 0.00 C ATOM 1450 O ALA B 22 7.540 -11.441 -8.011 1.00 0.00 O ATOM 1451 CB ALA B 22 7.214 -8.139 -8.516 1.00 0.00 C ATOM 0 H ALA B 22 7.420 -7.570 -6.159 1.00 0.00 H new ATOM 0 HA ALA B 22 5.980 -9.559 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.109 -8.614 -9.491 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.476 -7.343 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.215 -7.719 -8.423 1.00 0.00 H new ATOM 1457 N ARG B 23 9.222 -10.152 -7.237 1.00 0.00 N ATOM 1458 CA ARG B 23 10.237 -11.201 -7.396 1.00 0.00 C ATOM 1459 C ARG B 23 10.068 -12.305 -6.359 1.00 0.00 C ATOM 1460 O ARG B 23 10.771 -13.310 -6.394 1.00 0.00 O ATOM 1461 CB ARG B 23 11.662 -10.626 -7.351 1.00 0.00 C ATOM 1462 CG ARG B 23 12.059 -10.011 -6.018 1.00 0.00 C ATOM 1463 CD ARG B 23 13.400 -9.293 -6.099 1.00 0.00 C ATOM 1464 NE ARG B 23 14.506 -10.192 -6.440 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.359 -10.026 -7.459 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.192 -9.031 -8.332 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.371 -10.869 -7.604 1.00 0.00 N ATOM 0 H ARG B 23 9.572 -9.284 -6.831 1.00 0.00 H new ATOM 0 HA ARG B 23 10.087 -11.640 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.367 -11.421 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.758 -9.868 -8.128 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.290 -9.308 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.111 -10.792 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.338 -8.501 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.609 -8.814 -5.142 1.00 0.00 H new ATOM 0 HE ARG B 23 14.637 -11.014 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG B 23 14.408 -8.387 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.848 -8.915 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.495 -11.636 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.026 -10.751 -8.377 1.00 0.00 H new ATOM 1481 N HIS B 24 9.142 -12.105 -5.438 1.00 0.00 N ATOM 1482 CA HIS B 24 8.834 -13.104 -4.444 1.00 0.00 C ATOM 1483 C HIS B 24 8.080 -14.280 -5.087 1.00 0.00 C ATOM 1484 O HIS B 24 8.213 -15.429 -4.648 1.00 0.00 O ATOM 1485 CB HIS B 24 8.009 -12.494 -3.281 1.00 0.00 C ATOM 1486 CG HIS B 24 7.618 -13.494 -2.224 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.411 -14.160 -2.178 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.329 -13.957 -1.184 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.447 -14.990 -1.134 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.593 -14.909 -0.495 1.00 0.00 N ATOM 0 H HIS B 24 8.589 -11.251 -5.362 1.00 0.00 H new ATOM 0 HA HIS B 24 9.771 -13.476 -4.030 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.588 -11.696 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.107 -12.038 -3.688 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.326 -13.636 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.637 -15.646 -0.850 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.880 -15.434 0.331 1.00 0.00 H new ATOM 1498 N GLY B 25 7.313 -14.002 -6.132 1.00 0.00 N ATOM 1499 CA GLY B 25 6.558 -15.069 -6.759 1.00 0.00 C ATOM 1500 C GLY B 25 5.291 -14.610 -7.444 1.00 0.00 C ATOM 1501 O GLY B 25 4.620 -15.406 -8.101 1.00 0.00 O ATOM 0 H GLY B 25 7.200 -13.078 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.194 -15.567 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.301 -15.810 -6.003 1.00 0.00 H new ATOM 1505 N LEU B 26 4.939 -13.349 -7.262 1.00 0.00 N ATOM 1506 CA LEU B 26 3.773 -12.759 -7.871 1.00 0.00 C ATOM 1507 C LEU B 26 3.709 -12.883 -9.382 1.00 0.00 C ATOM 1508 O LEU B 26 4.723 -12.807 -10.089 1.00 0.00 O ATOM 1509 CB LEU B 26 3.649 -11.300 -7.474 1.00 0.00 C ATOM 1510 CG LEU B 26 2.967 -11.017 -6.146 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.678 -11.627 -4.966 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.733 -9.539 -5.968 1.00 0.00 C ATOM 0 H LEU B 26 5.467 -12.702 -6.677 1.00 0.00 H new ATOM 0 HA LEU B 26 2.932 -13.337 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.649 -10.868 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.100 -10.778 -8.258 1.00 0.00 H new ATOM 0 HG LEU B 26 1.996 -11.511 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.137 -11.386 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.721 -12.709 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.690 -11.228 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.244 -9.361 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.688 -9.014 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.098 -9.172 -6.774 1.00 0.00 H new ATOM 1524 N ASP B 27 2.498 -13.079 -9.851 1.00 0.00 N ATOM 1525 CA ASP B 27 2.179 -13.124 -11.276 1.00 0.00 C ATOM 1526 C ASP B 27 2.238 -11.706 -11.824 1.00 0.00 C ATOM 1527 O ASP B 27 2.322 -10.744 -11.054 1.00 0.00 O ATOM 1528 CB ASP B 27 0.738 -13.647 -11.528 1.00 0.00 C ATOM 1529 CG ASP B 27 0.437 -15.032 -11.003 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.746 -16.024 -11.687 1.00 0.00 O ATOM 1531 OD2 ASP B 27 -0.161 -15.151 -9.898 1.00 0.00 O ATOM 0 H ASP B 27 1.686 -13.215 -9.249 1.00 0.00 H new ATOM 0 HA ASP B 27 2.893 -13.791 -11.759 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.034 -12.948 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.552 -13.638 -12.602 1.00 0.00 H new ATOM 1536 N HIS B 28 2.134 -11.580 -13.125 1.00 0.00 N ATOM 1537 CA HIS B 28 2.134 -10.285 -13.816 1.00 0.00 C ATOM 1538 C HIS B 28 0.998 -9.409 -13.266 1.00 0.00 C ATOM 1539 O HIS B 28 1.218 -8.274 -12.829 1.00 0.00 O ATOM 1540 CB HIS B 28 1.940 -10.524 -15.335 1.00 0.00 C ATOM 1541 CG HIS B 28 2.025 -9.308 -16.227 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.946 -9.168 -17.242 1.00 0.00 N ATOM 1543 CD2 HIS B 28 1.246 -8.199 -16.282 1.00 0.00 C ATOM 1544 CE1 HIS B 28 2.712 -8.017 -17.862 1.00 0.00 C ATOM 1545 NE2 HIS B 28 1.684 -7.382 -17.318 1.00 0.00 N ATOM 0 H HIS B 28 2.045 -12.377 -13.755 1.00 0.00 H new ATOM 0 HA HIS B 28 3.082 -9.774 -13.650 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.690 -11.242 -15.665 1.00 0.00 H new ATOM 0 HB3 HIS B 28 0.966 -10.989 -15.485 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.416 -7.985 -15.625 1.00 0.00 H new ATOM 0 HE1 HIS B 28 3.285 -7.647 -18.700 1.00 0.00 H new ATOM 0 HE2 HIS B 28 1.295 -6.482 -17.600 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.195 -9.971 -13.244 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.377 -9.256 -12.776 1.00 0.00 C ATOM 1555 C ASP B 29 -1.318 -9.005 -11.289 1.00 0.00 C ATOM 1556 O ASP B 29 -1.837 -8.019 -10.803 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.673 -9.976 -13.149 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.985 -9.931 -14.629 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.629 -8.957 -15.083 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.591 -10.876 -15.371 1.00 0.00 O ATOM 0 H ASP B 29 -0.377 -10.928 -13.546 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.379 -8.292 -13.286 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.605 -11.017 -12.832 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.500 -9.528 -12.598 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.647 -9.882 -10.576 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.470 -9.740 -9.134 1.00 0.00 C ATOM 1567 C LYS B 30 0.287 -8.465 -8.809 1.00 0.00 C ATOM 1568 O LYS B 30 -0.078 -7.746 -7.889 1.00 0.00 O ATOM 1569 CB LYS B 30 0.259 -10.947 -8.579 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.582 -12.196 -8.529 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.280 -12.346 -7.196 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.294 -13.482 -7.230 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.658 -14.797 -7.524 1.00 0.00 N ATOM 0 H LYS B 30 -0.207 -10.713 -10.970 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.453 -9.678 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.142 -11.139 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.611 -10.717 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.324 -12.168 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.048 -13.067 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.543 -12.536 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.783 -11.414 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.809 -13.536 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.050 -13.269 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.378 -15.547 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.232 -14.772 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.919 -14.991 -6.818 1.00 0.00 H new ATOM 1587 N VAL B 31 1.319 -8.179 -9.598 1.00 0.00 N ATOM 1588 CA VAL B 31 2.110 -6.974 -9.442 1.00 0.00 C ATOM 1589 C VAL B 31 1.225 -5.753 -9.708 1.00 0.00 C ATOM 1590 O VAL B 31 1.305 -4.740 -9.007 1.00 0.00 O ATOM 1591 CB VAL B 31 3.323 -6.977 -10.423 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.198 -5.749 -10.242 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.143 -8.244 -10.253 1.00 0.00 C ATOM 0 H VAL B 31 1.626 -8.780 -10.363 1.00 0.00 H new ATOM 0 HA VAL B 31 2.497 -6.934 -8.424 1.00 0.00 H new ATOM 0 HB VAL B 31 2.924 -6.949 -11.437 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.031 -5.789 -10.944 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.609 -4.851 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.583 -5.724 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.985 -8.228 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.516 -8.302 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.518 -9.112 -10.461 1.00 0.00 H new ATOM 1603 N LEU B 32 0.346 -5.888 -10.689 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.574 -4.827 -11.064 1.00 0.00 C ATOM 1605 C LEU B 32 -1.572 -4.533 -9.943 1.00 0.00 C ATOM 1606 O LEU B 32 -1.684 -3.389 -9.501 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.302 -5.182 -12.354 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.415 -5.421 -13.575 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.259 -5.774 -14.770 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.446 -4.200 -13.874 1.00 0.00 C ATOM 0 H LEU B 32 0.251 -6.736 -11.247 1.00 0.00 H new ATOM 0 HA LEU B 32 0.010 -3.922 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.896 -6.079 -12.179 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.000 -4.378 -12.588 1.00 0.00 H new ATOM 0 HG LEU B 32 0.250 -6.256 -13.354 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.615 -5.942 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.827 -6.680 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.947 -4.956 -14.984 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.067 -4.398 -14.748 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.196 -3.342 -14.072 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.084 -3.986 -13.016 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.268 -5.563 -9.461 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.231 -5.383 -8.367 1.00 0.00 C ATOM 1624 C LEU B 33 -2.561 -4.868 -7.114 1.00 0.00 C ATOM 1625 O LEU B 33 -3.065 -3.942 -6.474 1.00 0.00 O ATOM 1626 CB LEU B 33 -4.037 -6.660 -8.036 1.00 0.00 C ATOM 1627 CG LEU B 33 -5.238 -7.023 -8.929 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -6.230 -5.878 -9.016 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -4.818 -7.502 -10.303 1.00 0.00 C ATOM 0 H LEU B 33 -2.187 -6.520 -9.804 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.939 -4.639 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.345 -7.502 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.401 -6.566 -7.013 1.00 0.00 H new ATOM 0 HG LEU B 33 -5.741 -7.863 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.065 -6.168 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.600 -5.641 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.738 -5.002 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -5.704 -7.744 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.253 -6.717 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -4.194 -8.391 -10.204 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.418 -5.441 -6.784 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.685 -5.049 -5.603 1.00 0.00 C ATOM 1643 C PHE B 34 -0.292 -3.574 -5.649 1.00 0.00 C ATOM 1644 O PHE B 34 -0.607 -2.810 -4.724 1.00 0.00 O ATOM 1645 CB PHE B 34 0.562 -5.934 -5.404 1.00 0.00 C ATOM 1646 CG PHE B 34 1.421 -5.475 -4.273 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.020 -5.667 -2.965 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.612 -4.804 -4.520 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.781 -5.196 -1.931 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.378 -4.344 -3.482 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.959 -4.537 -2.195 1.00 0.00 C ATOM 0 H PHE B 34 -0.978 -6.185 -7.325 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.348 -5.192 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.248 -6.962 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.149 -5.938 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.100 -6.192 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.936 -4.644 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.458 -5.341 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.308 -3.832 -3.679 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.560 -4.168 -1.377 1.00 0.00 H new ATOM 1661 N SER B 35 0.344 -3.173 -6.736 1.00 0.00 N ATOM 1662 CA SER B 35 0.863 -1.835 -6.864 1.00 0.00 C ATOM 1663 C SER B 35 -0.230 -0.774 -6.772 1.00 0.00 C ATOM 1664 O SER B 35 -0.094 0.198 -6.023 1.00 0.00 O ATOM 1665 CB SER B 35 1.679 -1.691 -8.154 1.00 0.00 C ATOM 1666 OG SER B 35 0.929 -2.074 -9.288 1.00 0.00 O ATOM 0 H SER B 35 0.511 -3.768 -7.548 1.00 0.00 H new ATOM 0 HA SER B 35 1.528 -1.665 -6.018 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.006 -0.657 -8.265 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.578 -2.304 -8.087 1.00 0.00 H new ATOM 0 HG SER B 35 0.926 -3.051 -9.364 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.322 -0.979 -7.481 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.385 0.003 -7.517 1.00 0.00 C ATOM 1674 C ARG B 36 -3.189 0.033 -6.219 1.00 0.00 C ATOM 1675 O ARG B 36 -3.746 1.062 -5.850 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.295 -0.214 -8.721 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.077 -1.517 -8.706 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.851 -1.689 -9.992 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.715 -0.535 -10.269 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.474 -0.382 -11.354 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.474 -1.306 -12.320 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.204 0.715 -11.486 1.00 0.00 N ATOM 0 H ARG B 36 -1.496 -1.815 -8.039 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.911 0.979 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.000 0.615 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.689 -0.181 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.394 -2.356 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.763 -1.526 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.155 -1.828 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.459 -2.592 -9.932 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.736 0.211 -9.574 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.890 -2.137 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.058 -1.180 -13.146 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.182 1.433 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.788 0.842 -12.312 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.233 -1.073 -5.505 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.996 -1.105 -4.269 1.00 0.00 C ATOM 1698 C ASP B 37 -3.224 -0.433 -3.168 1.00 0.00 C ATOM 1699 O ASP B 37 -3.782 0.331 -2.374 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.367 -2.517 -3.869 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.430 -2.525 -2.803 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.590 -2.179 -3.121 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.147 -2.866 -1.654 1.00 0.00 O ATOM 0 H ASP B 37 -2.762 -1.944 -5.749 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.925 -0.562 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.722 -3.063 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.481 -3.038 -3.506 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.932 -0.680 -3.159 1.00 0.00 N ATOM 1709 CA LEU B 38 -1.032 -0.082 -2.196 1.00 0.00 C ATOM 1710 C LEU B 38 -0.955 1.423 -2.467 1.00 0.00 C ATOM 1711 O LEU B 38 -0.874 2.233 -1.543 1.00 0.00 O ATOM 1712 CB LEU B 38 0.347 -0.786 -2.303 1.00 0.00 C ATOM 1713 CG LEU B 38 1.419 -0.473 -1.245 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.493 -1.502 -1.289 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.086 0.806 -1.515 1.00 0.00 C ATOM 0 H LEU B 38 -1.474 -1.304 -3.823 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.388 -0.212 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.171 -1.862 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.766 -0.545 -3.280 1.00 0.00 H new ATOM 0 HG LEU B 38 0.907 -0.448 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.248 -1.273 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU B 38 2.065 -2.484 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.954 -1.505 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU B 38 2.837 0.994 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.568 0.766 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.349 1.609 -1.507 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.030 1.771 -3.745 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.025 3.168 -4.209 1.00 0.00 C ATOM 1729 C ASP B 39 -2.156 3.947 -3.544 1.00 0.00 C ATOM 1730 O ASP B 39 -1.947 5.037 -2.996 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.206 3.200 -5.734 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.150 4.583 -6.345 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.029 5.076 -6.620 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.223 5.182 -6.606 1.00 0.00 O ATOM 0 H ASP B 39 -1.097 1.091 -4.502 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.074 3.629 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.433 2.583 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.165 2.746 -5.983 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.345 3.344 -3.547 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.532 3.947 -2.952 1.00 0.00 C ATOM 1741 C LYS B 40 -4.358 4.169 -1.457 1.00 0.00 C ATOM 1742 O LYS B 40 -4.822 5.176 -0.914 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.780 3.088 -3.161 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.205 2.870 -4.609 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.611 2.263 -4.687 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.718 0.878 -4.041 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.066 -0.171 -4.835 1.00 0.00 N ATOM 0 H LYS B 40 -3.510 2.427 -3.961 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.662 4.904 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.608 2.114 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.609 3.550 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.185 3.820 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.493 2.210 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.316 2.937 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.909 2.191 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.268 0.909 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.770 0.625 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.714 -0.917 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.752 -0.578 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.269 0.238 -5.364 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.693 3.231 -0.801 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.487 3.291 0.637 1.00 0.00 C ATOM 1763 C LEU B 41 -2.590 4.462 1.013 1.00 0.00 C ATOM 1764 O LEU B 41 -2.855 5.173 1.988 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.894 1.974 1.158 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.585 1.916 2.660 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.844 2.093 3.495 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.875 0.622 3.012 1.00 0.00 C ATOM 0 H LEU B 41 -3.283 2.411 -1.248 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.459 3.442 1.106 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.588 1.168 0.920 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.973 1.773 0.611 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.918 2.746 2.895 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.588 2.047 4.554 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.295 3.060 3.273 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.552 1.299 3.258 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.665 0.601 4.081 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.510 -0.224 2.750 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.939 0.558 2.457 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.568 4.680 0.220 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.631 5.753 0.489 1.00 0.00 C ATOM 1782 C ILE B 42 -1.322 7.085 0.315 1.00 0.00 C ATOM 1783 O ILE B 42 -1.402 7.868 1.260 1.00 0.00 O ATOM 1784 CB ILE B 42 0.627 5.695 -0.406 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.302 4.339 -0.273 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.605 6.799 -0.019 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.581 4.217 -1.055 1.00 0.00 C ATOM 0 H ILE B 42 -1.361 4.132 -0.615 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.293 5.631 1.518 1.00 0.00 H new ATOM 0 HB ILE B 42 0.322 5.842 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.512 4.150 0.780 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.610 3.565 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.486 6.745 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.125 7.770 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.904 6.672 1.022 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.003 3.222 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.376 4.373 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.292 4.967 -0.709 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.885 7.297 -0.869 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.608 8.538 -1.216 1.00 0.00 C ATOM 1801 C ASN B 43 -3.692 8.865 -0.185 1.00 0.00 C ATOM 1802 O ASN B 43 -3.937 10.040 0.133 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.218 8.439 -2.626 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.177 8.488 -3.747 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.162 9.181 -3.652 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.411 7.757 -4.804 1.00 0.00 N ATOM 0 H ASN B 43 -1.859 6.615 -1.627 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.883 9.352 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.782 7.509 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.928 9.255 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.746 7.750 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -3.259 7.193 -4.856 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.299 7.814 0.367 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.313 7.925 1.414 1.00 0.00 C ATOM 1815 C LYS B 44 -4.743 8.652 2.631 1.00 0.00 C ATOM 1816 O LYS B 44 -5.350 9.579 3.160 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.741 6.527 1.859 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.882 6.501 2.867 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.096 5.114 3.442 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.427 4.085 2.369 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.681 4.384 1.634 1.00 0.00 N ATOM 0 H LYS B 44 -4.098 6.851 0.096 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.161 8.480 1.014 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.038 5.956 0.980 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.880 6.019 2.293 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.668 7.200 3.675 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.799 6.840 2.386 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.198 4.802 3.976 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.905 5.147 4.172 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.602 4.033 1.659 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.511 3.102 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.885 3.613 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.467 4.474 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.572 5.276 1.110 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.575 8.230 3.055 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.930 8.784 4.225 1.00 0.00 C ATOM 1837 C PHE B 45 -2.221 10.091 3.949 1.00 0.00 C ATOM 1838 O PHE B 45 -2.074 10.925 4.840 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.984 7.782 4.857 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.676 6.806 5.745 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.255 5.654 5.245 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.758 7.063 7.094 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.904 4.772 6.083 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.403 6.186 7.942 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.980 5.038 7.435 1.00 0.00 C ATOM 0 H PHE B 45 -3.042 7.490 2.597 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.728 9.006 4.934 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.459 7.240 4.070 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.229 8.317 5.433 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.198 5.443 4.187 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.312 7.962 7.494 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.352 3.875 5.682 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.457 6.397 9.000 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.489 4.351 8.095 1.00 0.00 H new ATOM 1855 N MET B 46 -1.791 10.275 2.725 1.00 0.00 N ATOM 1856 CA MET B 46 -1.103 11.502 2.336 1.00 0.00 C ATOM 1857 C MET B 46 -2.104 12.637 2.220 1.00 0.00 C ATOM 1858 O MET B 46 -1.742 13.810 2.264 1.00 0.00 O ATOM 1859 CB MET B 46 -0.426 11.344 0.977 1.00 0.00 C ATOM 1860 CG MET B 46 0.453 10.134 0.827 1.00 0.00 C ATOM 1861 SD MET B 46 1.449 10.194 -0.659 1.00 0.00 S ATOM 1862 CE MET B 46 2.574 11.472 -0.171 1.00 0.00 C ATOM 0 H MET B 46 -1.901 9.595 1.973 1.00 0.00 H new ATOM 0 HA MET B 46 -0.354 11.716 3.099 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.198 11.308 0.208 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.174 12.233 0.784 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.106 10.053 1.696 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.167 9.238 0.810 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.424 11.489 -0.854 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.065 12.436 -0.201 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.926 11.279 0.842 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.377 12.261 2.041 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.481 13.188 1.816 1.00 0.00 C ATOM 1874 C ASN B 47 -4.289 13.899 0.480 1.00 0.00 C ATOM 1875 O ASN B 47 -4.916 14.915 0.194 1.00 0.00 O ATOM 1876 CB ASN B 47 -4.590 14.194 2.959 1.00 0.00 C ATOM 1877 CG ASN B 47 -4.997 13.607 4.308 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -4.559 14.084 5.361 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -5.863 12.629 4.317 1.00 0.00 N ATOM 0 H ASN B 47 -3.668 11.284 2.050 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.414 12.625 1.785 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -3.628 14.694 3.074 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -5.315 14.959 2.680 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -6.190 12.245 5.204 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -6.212 12.249 3.437 1.00 0.00 H new ATOM 1886 N VAL B 48 -3.437 13.312 -0.345 1.00 0.00 N ATOM 1887 CA VAL B 48 -3.128 13.836 -1.641 1.00 0.00 C ATOM 1888 C VAL B 48 -4.022 13.171 -2.618 1.00 0.00 C ATOM 1889 O VAL B 48 -3.876 11.985 -2.928 1.00 0.00 O ATOM 1890 CB VAL B 48 -1.662 13.594 -2.049 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -1.364 14.204 -3.418 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -0.713 14.147 -1.012 1.00 0.00 C ATOM 0 H VAL B 48 -2.942 12.449 -0.120 1.00 0.00 H new ATOM 0 HA VAL B 48 -3.275 14.916 -1.620 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.512 12.516 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -0.323 14.018 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -2.013 13.751 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -1.543 15.279 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.315 13.963 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.874 15.220 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -0.894 13.658 -0.055 1.00 0.00 H new ATOM 1902 N LYS B 49 -4.942 13.910 -3.074 1.00 0.00 N ATOM 1903 CA LYS B 49 -5.941 13.430 -3.955 1.00 0.00 C ATOM 1904 C LYS B 49 -5.672 13.982 -5.334 1.00 0.00 C ATOM 1905 O LYS B 49 -6.591 14.361 -6.077 1.00 0.00 O ATOM 1906 CB LYS B 49 -7.305 13.866 -3.435 1.00 0.00 C ATOM 1907 CG LYS B 49 -7.598 13.399 -2.015 1.00 0.00 C ATOM 1908 CD LYS B 49 -7.640 11.879 -1.923 1.00 0.00 C ATOM 1909 CE LYS B 49 -7.809 11.411 -0.490 1.00 0.00 C ATOM 1910 NZ LYS B 49 -9.037 11.945 0.140 1.00 0.00 N ATOM 0 H LYS B 49 -5.034 14.899 -2.844 1.00 0.00 H new ATOM 0 HA LYS B 49 -5.928 12.341 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.366 14.954 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.078 13.482 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.834 13.784 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.552 13.811 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -8.462 11.500 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.721 11.463 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -7.838 10.322 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -6.942 11.719 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.178 11.492 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.943 12.973 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.855 11.746 -0.471 1.00 0.00 H new ATOM 1924 N ASP B 50 -4.403 13.992 -5.681 1.00 0.00 N ATOM 1925 CA ASP B 50 -3.937 14.502 -6.950 1.00 0.00 C ATOM 1926 C ASP B 50 -4.251 13.515 -8.063 1.00 0.00 C ATOM 1927 O ASP B 50 -3.448 12.657 -8.431 1.00 0.00 O ATOM 1928 CB ASP B 50 -2.439 14.848 -6.891 1.00 0.00 C ATOM 1929 CG ASP B 50 -1.871 15.409 -8.185 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -2.011 16.616 -8.438 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -1.204 14.660 -8.930 1.00 0.00 O ATOM 0 H ASP B 50 -3.657 13.641 -5.081 1.00 0.00 H new ATOM 0 HA ASP B 50 -4.467 15.429 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -2.278 15.573 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -1.882 13.950 -6.623 1.00 0.00 H new ATOM 1936 N LYS B 51 -5.488 13.560 -8.462 1.00 0.00 N ATOM 1937 CA LYS B 51 -6.023 12.794 -9.566 1.00 0.00 C ATOM 1938 C LYS B 51 -6.755 13.763 -10.464 1.00 0.00 C ATOM 1939 O LYS B 51 -7.493 13.379 -11.383 1.00 0.00 O ATOM 1940 CB LYS B 51 -6.992 11.715 -9.049 1.00 0.00 C ATOM 1941 CG LYS B 51 -8.153 12.271 -8.232 1.00 0.00 C ATOM 1942 CD LYS B 51 -9.137 11.192 -7.799 1.00 0.00 C ATOM 1943 CE LYS B 51 -9.920 10.598 -8.967 1.00 0.00 C ATOM 1944 NZ LYS B 51 -10.714 11.626 -9.684 1.00 0.00 N ATOM 0 H LYS B 51 -6.186 14.153 -8.014 1.00 0.00 H new ATOM 0 HA LYS B 51 -5.224 12.289 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -7.391 11.161 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -6.437 11.004 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -7.762 12.776 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -8.680 13.022 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -8.594 10.396 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -9.836 11.614 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -9.228 10.123 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -10.586 9.818 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -11.393 11.160 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -11.230 12.209 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -10.077 12.230 -10.241 1.00 0.00 H new ATOM 1958 N VAL B 52 -6.515 15.022 -10.192 1.00 0.00 N ATOM 1959 CA VAL B 52 -7.162 16.117 -10.870 1.00 0.00 C ATOM 1960 C VAL B 52 -6.474 16.398 -12.187 1.00 0.00 C ATOM 1961 O VAL B 52 -5.479 15.749 -12.526 1.00 0.00 O ATOM 1962 CB VAL B 52 -7.180 17.404 -9.994 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -8.005 17.185 -8.736 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -5.756 17.841 -9.626 1.00 0.00 C ATOM 0 H VAL B 52 -5.850 15.320 -9.478 1.00 0.00 H new ATOM 0 HA VAL B 52 -8.195 15.824 -11.058 1.00 0.00 H new ATOM 0 HB VAL B 52 -7.641 18.200 -10.580 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -8.005 18.096 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -9.029 16.932 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -7.574 16.370 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -5.799 18.742 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -5.264 17.045 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -5.192 18.047 -10.536 1.00 0.00 H new ATOM 1974 N HIS B 53 -7.008 17.329 -12.933 1.00 0.00 N ATOM 1975 CA HIS B 53 -6.432 17.702 -14.197 1.00 0.00 C ATOM 1976 C HIS B 53 -5.209 18.586 -13.971 1.00 0.00 C ATOM 1977 O HIS B 53 -5.311 19.743 -13.570 1.00 0.00 O ATOM 1978 CB HIS B 53 -7.491 18.331 -15.157 1.00 0.00 C ATOM 1979 CG HIS B 53 -8.186 19.583 -14.675 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -9.214 19.597 -13.753 1.00 0.00 N ATOM 1981 CD2 HIS B 53 -7.987 20.873 -15.025 1.00 0.00 C ATOM 1982 CE1 HIS B 53 -9.590 20.862 -13.576 1.00 0.00 C ATOM 1983 NE2 HIS B 53 -8.871 21.684 -14.331 1.00 0.00 N ATOM 0 H HIS B 53 -7.850 17.847 -12.683 1.00 0.00 H new ATOM 0 HA HIS B 53 -6.088 16.804 -14.709 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -7.000 18.557 -16.103 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -8.252 17.578 -15.365 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -7.252 21.219 -15.736 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -10.376 21.178 -12.906 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -8.952 22.699 -14.388 1.00 0.00 H new ATOM 1991 N LYS B 54 -4.065 17.993 -14.151 1.00 0.00 N ATOM 1992 CA LYS B 54 -2.799 18.647 -13.942 1.00 0.00 C ATOM 1993 C LYS B 54 -2.431 19.372 -15.216 1.00 0.00 C ATOM 1994 O LYS B 54 -2.530 18.791 -16.311 1.00 0.00 O ATOM 1995 CB LYS B 54 -1.748 17.583 -13.593 1.00 0.00 C ATOM 1996 CG LYS B 54 -2.140 16.724 -12.385 1.00 0.00 C ATOM 1997 CD LYS B 54 -1.250 15.491 -12.223 1.00 0.00 C ATOM 1998 CE LYS B 54 0.167 15.827 -11.790 1.00 0.00 C ATOM 1999 NZ LYS B 54 0.203 16.424 -10.440 1.00 0.00 N ATOM 0 H LYS B 54 -3.980 17.022 -14.453 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.852 19.365 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -1.594 16.936 -14.457 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.797 18.074 -13.389 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -2.083 17.329 -11.480 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -3.177 16.407 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -1.698 14.822 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -1.215 14.950 -13.168 1.00 0.00 H new ATOM 0 HE2 LYS B 54 0.775 14.922 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS B 54 0.611 16.520 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 1.165 16.763 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -0.462 17.223 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -0.069 15.708 -9.736 1.00 0.00 H new ATOM 2013 N LEU B 55 -2.074 20.627 -15.103 1.00 0.00 N ATOM 2014 CA LEU B 55 -1.751 21.415 -16.277 1.00 0.00 C ATOM 2015 C LEU B 55 -0.406 21.022 -16.850 1.00 0.00 C ATOM 2016 O LEU B 55 0.532 20.698 -16.114 1.00 0.00 O ATOM 2017 CB LEU B 55 -1.790 22.951 -16.023 1.00 0.00 C ATOM 2018 CG LEU B 55 -0.687 23.584 -15.140 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -0.759 25.094 -15.234 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -0.828 23.172 -13.687 1.00 0.00 C ATOM 0 H LEU B 55 -1.998 21.127 -14.217 1.00 0.00 H new ATOM 0 HA LEU B 55 -2.533 21.191 -17.002 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -1.763 23.448 -16.993 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -2.753 23.187 -15.570 1.00 0.00 H new ATOM 0 HG LEU B 55 0.275 23.227 -15.507 1.00 0.00 H new ATOM 0 HD11 LEU B 55 0.019 25.535 -14.611 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -0.612 25.401 -16.269 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -1.736 25.434 -14.889 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -0.036 23.636 -13.099 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -1.798 23.496 -13.309 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -0.751 22.088 -13.607 1.00 0.00 H new ATOM 2032 N GLU B 56 -0.329 21.038 -18.138 1.00 0.00 N ATOM 2033 CA GLU B 56 0.880 20.775 -18.846 1.00 0.00 C ATOM 2034 C GLU B 56 1.256 22.038 -19.567 1.00 0.00 C ATOM 2035 O GLU B 56 0.381 22.762 -20.056 1.00 0.00 O ATOM 2036 CB GLU B 56 0.713 19.606 -19.823 1.00 0.00 C ATOM 2037 CG GLU B 56 0.580 18.237 -19.154 1.00 0.00 C ATOM 2038 CD GLU B 56 1.846 17.816 -18.426 1.00 0.00 C ATOM 2039 OE1 GLU B 56 2.843 17.465 -19.103 1.00 0.00 O ATOM 2040 OE2 GLU B 56 1.883 17.829 -17.167 1.00 0.00 O ATOM 0 H GLU B 56 -1.125 21.239 -18.744 1.00 0.00 H new ATOM 0 HA GLU B 56 1.669 20.482 -18.153 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -0.170 19.784 -20.436 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.570 19.586 -20.496 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -0.250 18.261 -18.448 1.00 0.00 H new ATOM 0 HG3 GLU B 56 0.334 17.490 -19.909 1.00 0.00 H new ATOM 2047 N HIS B 57 2.526 22.305 -19.654 1.00 0.00 N ATOM 2048 CA HIS B 57 3.026 23.551 -20.218 1.00 0.00 C ATOM 2049 C HIS B 57 3.083 23.497 -21.723 1.00 0.00 C ATOM 2050 O HIS B 57 4.098 23.844 -22.341 1.00 0.00 O ATOM 2051 CB HIS B 57 4.400 23.870 -19.660 1.00 0.00 C ATOM 2052 CG HIS B 57 4.402 24.140 -18.181 1.00 0.00 C ATOM 2053 ND1 HIS B 57 4.185 25.382 -17.630 1.00 0.00 N ATOM 2054 CD2 HIS B 57 4.572 23.291 -17.135 1.00 0.00 C ATOM 2055 CE1 HIS B 57 4.224 25.260 -16.300 1.00 0.00 C ATOM 2056 NE2 HIS B 57 4.457 24.003 -15.940 1.00 0.00 N ATOM 0 H HIS B 57 3.258 21.669 -19.338 1.00 0.00 H new ATOM 0 HA HIS B 57 2.330 24.341 -19.936 1.00 0.00 H new ATOM 0 HB2 HIS B 57 5.070 23.036 -19.869 1.00 0.00 H new ATOM 0 HB3 HIS B 57 4.801 24.740 -20.180 1.00 0.00 H new ATOM 0 HD2 HIS B 57 4.766 22.232 -17.215 1.00 0.00 H new ATOM 0 HE1 HIS B 57 4.084 26.077 -15.608 1.00 0.00 H new ATOM 0 HE2 HIS B 57 4.535 23.636 -14.992 1.00 0.00 H new ATOM 2064 N HIS B 58 1.961 23.169 -22.318 1.00 0.00 N ATOM 2065 CA HIS B 58 1.844 22.994 -23.762 1.00 0.00 C ATOM 2066 C HIS B 58 2.116 24.288 -24.546 1.00 0.00 C ATOM 2067 O HIS B 58 2.276 24.260 -25.761 1.00 0.00 O ATOM 2068 CB HIS B 58 0.486 22.363 -24.162 1.00 0.00 C ATOM 2069 CG HIS B 58 -0.749 23.114 -23.684 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -1.744 22.546 -22.918 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -1.140 24.401 -23.893 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -2.678 23.472 -22.691 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -2.359 24.618 -23.260 1.00 0.00 N ATOM 0 H HIS B 58 1.088 23.012 -21.814 1.00 0.00 H new ATOM 0 HA HIS B 58 2.628 22.291 -24.043 1.00 0.00 H new ATOM 0 HB2 HIS B 58 0.446 22.287 -25.249 1.00 0.00 H new ATOM 0 HB3 HIS B 58 0.447 21.347 -23.769 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -0.590 25.137 -24.461 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -3.577 23.305 -22.117 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -2.896 25.485 -23.240 1.00 0.00 H new ATOM 2081 N HIS B 59 2.163 25.401 -23.838 1.00 0.00 N ATOM 2082 CA HIS B 59 2.455 26.697 -24.430 1.00 0.00 C ATOM 2083 C HIS B 59 3.909 26.749 -24.936 1.00 0.00 C ATOM 2084 O HIS B 59 4.207 27.407 -25.921 1.00 0.00 O ATOM 2085 CB HIS B 59 2.171 27.849 -23.422 1.00 0.00 C ATOM 2086 CG HIS B 59 2.974 27.794 -22.137 1.00 0.00 C ATOM 2087 ND1 HIS B 59 4.146 28.483 -21.933 1.00 0.00 N ATOM 2088 CD2 HIS B 59 2.745 27.105 -20.995 1.00 0.00 C ATOM 2089 CE1 HIS B 59 4.590 28.196 -20.707 1.00 0.00 C ATOM 2090 NE2 HIS B 59 3.774 27.360 -20.092 1.00 0.00 N ATOM 0 H HIS B 59 1.999 25.434 -22.832 1.00 0.00 H new ATOM 0 HA HIS B 59 1.794 26.835 -25.286 1.00 0.00 H new ATOM 0 HB2 HIS B 59 2.370 28.800 -23.916 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.111 27.837 -23.170 1.00 0.00 H new ATOM 0 HD2 HIS B 59 1.898 26.460 -20.813 1.00 0.00 H new ATOM 0 HE1 HIS B 59 5.496 28.595 -20.276 1.00 0.00 H new ATOM 0 HE2 HIS B 59 3.876 26.980 -19.151 1.00 0.00 H new ATOM 2098 N HIS B 60 4.795 26.030 -24.265 1.00 0.00 N ATOM 2099 CA HIS B 60 6.200 26.009 -24.647 1.00 0.00 C ATOM 2100 C HIS B 60 6.637 24.582 -24.977 1.00 0.00 C ATOM 2101 O HIS B 60 7.531 24.357 -25.810 1.00 0.00 O ATOM 2102 CB HIS B 60 7.077 26.614 -23.519 1.00 0.00 C ATOM 2103 CG HIS B 60 8.552 26.680 -23.839 1.00 0.00 C ATOM 2104 ND1 HIS B 60 9.547 26.154 -23.038 1.00 0.00 N ATOM 2105 CD2 HIS B 60 9.189 27.233 -24.904 1.00 0.00 C ATOM 2106 CE1 HIS B 60 10.721 26.393 -23.632 1.00 0.00 C ATOM 2107 NE2 HIS B 60 10.559 27.047 -24.767 1.00 0.00 N ATOM 0 H HIS B 60 4.568 25.454 -23.455 1.00 0.00 H new ATOM 0 HA HIS B 60 6.331 26.620 -25.540 1.00 0.00 H new ATOM 0 HB2 HIS B 60 6.720 27.620 -23.299 1.00 0.00 H new ATOM 0 HB3 HIS B 60 6.941 26.023 -22.614 1.00 0.00 H new ATOM 0 HD2 HIS B 60 8.706 27.738 -25.728 1.00 0.00 H new ATOM 0 HE1 HIS B 60 11.678 26.090 -23.234 1.00 0.00 H new ATOM 0 HE2 HIS B 60 11.289 27.353 -25.411 1.00 0.00 H new ATOM 2115 N HIS B 61 6.005 23.626 -24.341 1.00 0.00 N ATOM 2116 CA HIS B 61 6.338 22.233 -24.525 1.00 0.00 C ATOM 2117 C HIS B 61 5.679 21.701 -25.769 1.00 0.00 C ATOM 2118 O HIS B 61 4.459 21.525 -25.821 1.00 0.00 O ATOM 2119 CB HIS B 61 5.949 21.382 -23.297 1.00 0.00 C ATOM 2120 CG HIS B 61 6.715 21.700 -22.033 1.00 0.00 C ATOM 2121 ND1 HIS B 61 6.900 20.806 -21.008 1.00 0.00 N ATOM 2122 CD2 HIS B 61 7.307 22.851 -21.626 1.00 0.00 C ATOM 2123 CE1 HIS B 61 7.573 21.416 -20.035 1.00 0.00 C ATOM 2124 NE2 HIS B 61 7.848 22.667 -20.361 1.00 0.00 N ATOM 0 H HIS B 61 5.245 23.791 -23.681 1.00 0.00 H new ATOM 0 HA HIS B 61 7.420 22.163 -24.638 1.00 0.00 H new ATOM 0 HB2 HIS B 61 4.885 21.516 -23.103 1.00 0.00 H new ATOM 0 HB3 HIS B 61 6.099 20.330 -23.540 1.00 0.00 H new ATOM 0 HD2 HIS B 61 7.350 23.767 -22.197 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.857 20.950 -19.103 1.00 0.00 H new ATOM 0 HE2 HIS B 61 8.352 23.354 -19.800 1.00 0.00 H new ATOM 2132 N HIS B 62 6.471 21.514 -26.766 1.00 0.00 N ATOM 2133 CA HIS B 62 6.055 20.959 -28.012 1.00 0.00 C ATOM 2134 C HIS B 62 7.064 19.891 -28.362 1.00 0.00 C ATOM 2135 O HIS B 62 8.176 20.235 -28.799 1.00 0.00 O ATOM 2136 CB HIS B 62 5.983 22.048 -29.105 1.00 0.00 C ATOM 2137 CG HIS B 62 5.543 21.543 -30.455 1.00 0.00 C ATOM 2138 ND1 HIS B 62 6.322 21.593 -31.588 1.00 0.00 N ATOM 2139 CD2 HIS B 62 4.371 20.984 -30.838 1.00 0.00 C ATOM 2140 CE1 HIS B 62 5.625 21.081 -32.598 1.00 0.00 C ATOM 2141 NE2 HIS B 62 4.426 20.690 -32.199 1.00 0.00 N ATOM 2142 OXT HIS B 62 6.790 18.714 -28.127 1.00 0.00 O ATOM 0 H HIS B 62 7.463 21.751 -26.738 1.00 0.00 H new ATOM 0 HA HIS B 62 5.054 20.534 -27.940 1.00 0.00 H new ATOM 0 HB2 HIS B 62 5.294 22.828 -28.780 1.00 0.00 H new ATOM 0 HB3 HIS B 62 6.965 22.511 -29.205 1.00 0.00 H new ATOM 0 HD2 HIS B 62 3.527 20.796 -30.191 1.00 0.00 H new ATOM 0 HE1 HIS B 62 5.990 20.996 -33.611 1.00 0.00 H new ATOM 0 HE2 HIS B 62 3.695 20.263 -32.768 1.00 0.00 H new TER 2150 HIS B 62