USER MOD reduce.3.24.130724 H: found=0, std=0, add=1137, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1140 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 96 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 97 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HE2 : A 73 HIS NE2 : A 98 ZNZN :(H bumps) USER MOD Set 1.1: A 94 LYS NZ :NH3+ 171:sc= 0.596 (180deg=-0.0287) USER MOD Set 1.2: B 149 ASN : amide:sc= 1.48 K(o=2.1,f=-2.9) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.00905 K(o=0.0091,f=-0.53) USER MOD Set 2.2: B 110 MET CE :methyl -111:sc= 0 (180deg=-0.4) USER MOD Set 3.1: A 78 THR OG1 : rot 64:sc= 0.613 USER MOD Set 3.2: B 130 GLN : amide:sc= 0.188 X(o=0.8,f=1.2) USER MOD Set 4.1: A 66 SER OG : rot 150:sc= 0 USER MOD Set 4.2: B 123 CYS SG : rot 86:sc= 0.182 USER MOD Set 5.1: A 57 LYS NZ :NH3+ -174:sc= 2.26 (180deg=1.16) USER MOD Set 5.2: B 120 SER OG : rot -140:sc= 0.906 USER MOD Set 6.1: A 51 THR OG1 : rot 180:sc= 0.00056 USER MOD Set 6.2: A 52 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.6!) USER MOD Set 7.1: A 12 GLN : amide:sc= -0.328 K(o=-0.33,f=2) USER MOD Set 7.2: A 43 MET CE :methyl 176:sc= -0.524 (180deg=-0.27) USER MOD Set 7.3: A 63 HIS : no HE2:sc= 0.52 K(o=-0.33,f=-5!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ 177:sc= 2.7 (180deg=1.72) USER MOD Set 8.2: B 109 SER OG : rot 120:sc= 0.823 USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0725 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.13) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 11 GLN : amide:sc= 0.801 K(o=0.8,f=-2.8!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.56 (180deg=1.52) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.087) USER MOD Single : A 29 ASN : amide:sc= 1 K(o=1,f=-0.0011) USER MOD Single : A 36 SER OG : rot 65:sc= 0.0418 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.91 (180deg=1.48) USER MOD Single : A 45 ASN : amide:sc= 0.956 K(o=0.96,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.326 (180deg=-0.352) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -68:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.37) USER MOD Single : A 72 SER OG : rot 66:sc= 1.8 USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= 0.401 (180deg=0.187) USER MOD Single : A 76 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 80 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.782) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 74:sc= 0.982 USER MOD Single : B 99 SER OG : rot 29:sc= 0.112 USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.66 K(o=1.7,f=-5!) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 134 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 137 GLN : amide:sc= 0.703 K(o=0.7,f=-3.1!) USER MOD Single : B 147 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.779 -11.813 15.677 1.00 0.00 N ATOM 2 CA ALA A 1 5.923 -10.626 15.435 1.00 0.00 C ATOM 3 C ALA A 1 5.940 -9.690 16.651 1.00 0.00 C ATOM 4 O ALA A 1 6.175 -10.137 17.776 1.00 0.00 O ATOM 5 CB ALA A 1 4.494 -11.042 15.048 1.00 0.00 C ATOM 0 H1 ALA A 1 6.291 -12.667 15.340 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.678 -11.703 15.165 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.969 -11.902 16.696 1.00 0.00 H new ATOM 0 HA ALA A 1 6.333 -10.073 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.890 -10.151 14.877 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.523 -11.641 14.138 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.055 -11.629 15.855 1.00 0.00 H new ATOM 13 N ASP A 2 5.717 -8.388 16.445 1.00 0.00 N ATOM 14 CA ASP A 2 5.751 -7.351 17.488 1.00 0.00 C ATOM 15 C ASP A 2 4.729 -6.221 17.212 1.00 0.00 C ATOM 16 O ASP A 2 4.572 -5.824 16.052 1.00 0.00 O ATOM 17 CB ASP A 2 7.185 -6.792 17.543 1.00 0.00 C ATOM 18 CG ASP A 2 7.416 -5.883 18.758 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.985 -4.709 18.711 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.015 -6.347 19.757 1.00 0.00 O ATOM 0 H ASP A 2 5.501 -8.013 15.521 1.00 0.00 H new ATOM 0 HA ASP A 2 5.472 -7.788 18.447 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.893 -7.620 17.573 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.388 -6.232 16.630 1.00 0.00 H new ATOM 25 N PRO A 3 4.031 -5.672 18.231 1.00 0.00 N ATOM 26 CA PRO A 3 3.057 -4.588 18.051 1.00 0.00 C ATOM 27 C PRO A 3 3.640 -3.330 17.386 1.00 0.00 C ATOM 28 O PRO A 3 2.940 -2.675 16.613 1.00 0.00 O ATOM 29 CB PRO A 3 2.465 -4.307 19.436 1.00 0.00 C ATOM 30 CG PRO A 3 3.521 -4.840 20.399 1.00 0.00 C ATOM 31 CD PRO A 3 4.098 -6.034 19.642 1.00 0.00 C ATOM 0 HA PRO A 3 2.283 -4.899 17.350 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.288 -3.242 19.587 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.509 -4.812 19.572 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.284 -4.092 20.617 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.085 -5.138 21.353 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.125 -6.233 19.948 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.525 -6.939 19.842 1.00 0.00 H new ATOM 39 N GLU A 4 4.912 -2.989 17.627 1.00 0.00 N ATOM 40 CA GLU A 4 5.581 -1.852 16.975 1.00 0.00 C ATOM 41 C GLU A 4 5.705 -2.103 15.465 1.00 0.00 C ATOM 42 O GLU A 4 5.331 -1.257 14.657 1.00 0.00 O ATOM 43 CB GLU A 4 6.960 -1.569 17.592 1.00 0.00 C ATOM 44 CG GLU A 4 6.866 -1.119 19.060 1.00 0.00 C ATOM 45 CD GLU A 4 8.249 -0.955 19.729 1.00 0.00 C ATOM 46 OE1 GLU A 4 9.235 -0.563 19.057 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.357 -1.186 20.960 1.00 0.00 O ATOM 0 H GLU A 4 5.510 -3.494 18.281 1.00 0.00 H new ATOM 0 HA GLU A 4 4.965 -0.967 17.138 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.574 -2.467 17.529 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.464 -0.797 17.010 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.329 -0.172 19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.281 -1.847 19.621 1.00 0.00 H new ATOM 54 N LYS A 5 6.172 -3.288 15.060 1.00 0.00 N ATOM 55 CA LYS A 5 6.247 -3.675 13.642 1.00 0.00 C ATOM 56 C LYS A 5 4.853 -3.688 13.007 1.00 0.00 C ATOM 57 O LYS A 5 4.694 -3.216 11.884 1.00 0.00 O ATOM 58 CB LYS A 5 6.966 -5.021 13.472 1.00 0.00 C ATOM 59 CG LYS A 5 8.459 -4.912 13.821 1.00 0.00 C ATOM 60 CD LYS A 5 9.171 -6.256 13.617 1.00 0.00 C ATOM 61 CE LYS A 5 10.646 -6.206 14.040 1.00 0.00 C ATOM 62 NZ LYS A 5 11.467 -5.357 13.137 1.00 0.00 N ATOM 0 H LYS A 5 6.509 -4.006 15.701 1.00 0.00 H new ATOM 0 HA LYS A 5 6.839 -2.927 13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.496 -5.769 14.111 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.856 -5.366 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.927 -4.150 13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.572 -4.590 14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.657 -7.027 14.191 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.106 -6.543 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.716 -5.822 15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.052 -7.217 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.465 -5.410 13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.370 -5.696 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.141 -4.371 13.196 1.00 0.00 H new ATOM 76 N ARG A 6 3.827 -4.172 13.716 1.00 0.00 N ATOM 77 CA ARG A 6 2.430 -4.156 13.242 1.00 0.00 C ATOM 78 C ARG A 6 1.925 -2.725 13.014 1.00 0.00 C ATOM 79 O ARG A 6 1.403 -2.459 11.934 1.00 0.00 O ATOM 80 CB ARG A 6 1.522 -4.996 14.152 1.00 0.00 C ATOM 81 CG ARG A 6 1.747 -6.489 13.859 1.00 0.00 C ATOM 82 CD ARG A 6 0.858 -7.400 14.709 1.00 0.00 C ATOM 83 NE ARG A 6 0.902 -8.785 14.201 1.00 0.00 N ATOM 84 CZ ARG A 6 0.624 -9.904 14.843 1.00 0.00 C ATOM 85 NH1 ARG A 6 0.274 -9.929 16.098 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.698 -11.036 14.208 1.00 0.00 N ATOM 0 H ARG A 6 3.938 -4.589 14.640 1.00 0.00 H new ATOM 0 HA ARG A 6 2.396 -4.635 12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.739 -4.783 15.199 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.477 -4.734 13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.553 -6.681 12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.793 -6.737 14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.190 -7.376 15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.168 -7.033 14.694 1.00 0.00 H new ATOM 0 HE ARG A 6 1.184 -8.891 13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.206 -9.059 16.626 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.068 -10.819 16.553 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.969 -11.052 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.486 -11.908 14.693 1.00 0.00 H new ATOM 100 N LYS A 7 2.103 -1.788 13.957 1.00 0.00 N ATOM 101 CA LYS A 7 1.706 -0.373 13.764 1.00 0.00 C ATOM 102 C LYS A 7 2.459 0.281 12.589 1.00 0.00 C ATOM 103 O LYS A 7 1.854 1.021 11.816 1.00 0.00 O ATOM 104 CB LYS A 7 1.730 0.414 15.090 1.00 0.00 C ATOM 105 CG LYS A 7 3.039 1.151 15.409 1.00 0.00 C ATOM 106 CD LYS A 7 3.207 1.384 16.915 1.00 0.00 C ATOM 107 CE LYS A 7 4.585 1.959 17.277 1.00 0.00 C ATOM 108 NZ LYS A 7 4.849 3.279 16.655 1.00 0.00 N ATOM 0 H LYS A 7 2.521 -1.980 14.867 1.00 0.00 H new ATOM 0 HA LYS A 7 0.661 -0.346 13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.920 1.143 15.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.517 -0.278 15.905 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.883 0.572 15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.053 2.109 14.889 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.431 2.066 17.261 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.061 0.441 17.443 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.659 2.054 18.360 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.358 1.257 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.771 3.636 16.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.859 3.179 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.103 3.948 16.931 1.00 0.00 H new ATOM 122 N LEU A 8 3.746 -0.040 12.404 1.00 0.00 N ATOM 123 CA LEU A 8 4.546 0.392 11.247 1.00 0.00 C ATOM 124 C LEU A 8 3.916 -0.122 9.939 1.00 0.00 C ATOM 125 O LEU A 8 3.720 0.649 9.002 1.00 0.00 O ATOM 126 CB LEU A 8 6.002 -0.095 11.373 1.00 0.00 C ATOM 127 CG LEU A 8 6.858 0.646 12.411 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.189 -0.083 12.604 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.150 2.078 11.958 1.00 0.00 C ATOM 0 H LEU A 8 4.270 -0.616 13.063 1.00 0.00 H new ATOM 0 HA LEU A 8 4.555 1.482 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.992 -1.155 11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.483 -0.004 10.399 1.00 0.00 H new ATOM 0 HG LEU A 8 6.300 0.672 13.347 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.791 0.448 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.000 -1.098 12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.725 -0.119 11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.757 2.581 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.689 2.057 11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.212 2.617 11.830 1.00 0.00 H new ATOM 141 N ILE A 9 3.579 -1.414 9.882 1.00 0.00 N ATOM 142 CA ILE A 9 2.904 -2.074 8.754 1.00 0.00 C ATOM 143 C ILE A 9 1.556 -1.389 8.461 1.00 0.00 C ATOM 144 O ILE A 9 1.313 -1.032 7.309 1.00 0.00 O ATOM 145 CB ILE A 9 2.816 -3.598 9.007 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.225 -4.210 8.828 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.820 -4.302 8.072 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.372 -5.607 9.437 1.00 0.00 C ATOM 0 H ILE A 9 3.776 -2.056 10.649 1.00 0.00 H new ATOM 0 HA ILE A 9 3.488 -1.961 7.841 1.00 0.00 H new ATOM 0 HB ILE A 9 2.450 -3.748 10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.457 -4.261 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.960 -3.546 9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.802 -5.368 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.825 -3.883 8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.126 -4.155 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.386 -5.971 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.173 -5.560 10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.662 -6.286 8.965 1.00 0.00 H new ATOM 160 N GLN A 10 0.701 -1.153 9.470 1.00 0.00 N ATOM 161 CA GLN A 10 -0.572 -0.420 9.337 1.00 0.00 C ATOM 162 C GLN A 10 -0.353 0.933 8.637 1.00 0.00 C ATOM 163 O GLN A 10 -0.993 1.224 7.623 1.00 0.00 O ATOM 164 CB GLN A 10 -1.231 -0.186 10.711 1.00 0.00 C ATOM 165 CG GLN A 10 -1.809 -1.446 11.364 1.00 0.00 C ATOM 166 CD GLN A 10 -2.367 -1.158 12.754 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.759 -1.448 13.775 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.546 -0.576 12.852 1.00 0.00 N ATOM 0 H GLN A 10 0.878 -1.473 10.422 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.237 -1.035 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.493 0.250 11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.030 0.547 10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.599 -1.853 10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.033 -2.208 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.064 -0.329 12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.940 -0.373 13.771 1.00 0.00 H new ATOM 177 N GLN A 11 0.569 1.744 9.168 1.00 0.00 N ATOM 178 CA GLN A 11 0.966 3.046 8.632 1.00 0.00 C ATOM 179 C GLN A 11 1.395 2.916 7.157 1.00 0.00 C ATOM 180 O GLN A 11 0.799 3.547 6.287 1.00 0.00 O ATOM 181 CB GLN A 11 2.069 3.630 9.532 1.00 0.00 C ATOM 182 CG GLN A 11 2.382 5.107 9.261 1.00 0.00 C ATOM 183 CD GLN A 11 3.660 5.514 9.988 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.648 6.080 11.073 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.805 5.217 9.411 1.00 0.00 N ATOM 0 H GLN A 11 1.078 1.499 10.017 1.00 0.00 H new ATOM 0 HA GLN A 11 0.124 3.738 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.770 3.518 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.980 3.046 9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.496 5.272 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.551 5.730 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.813 4.745 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.684 5.459 9.868 1.00 0.00 H new ATOM 194 N GLN A 12 2.393 2.072 6.861 1.00 0.00 N ATOM 195 CA GLN A 12 2.905 1.778 5.512 1.00 0.00 C ATOM 196 C GLN A 12 1.790 1.411 4.515 1.00 0.00 C ATOM 197 O GLN A 12 1.774 1.950 3.409 1.00 0.00 O ATOM 198 CB GLN A 12 3.952 0.647 5.584 1.00 0.00 C ATOM 199 CG GLN A 12 5.317 1.082 6.148 1.00 0.00 C ATOM 200 CD GLN A 12 6.278 1.557 5.059 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.303 0.951 4.775 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.000 2.660 4.403 1.00 0.00 N ATOM 0 H GLN A 12 2.888 1.552 7.586 1.00 0.00 H new ATOM 0 HA GLN A 12 3.370 2.691 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.557 -0.159 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.099 0.239 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.168 1.884 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.767 0.247 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.152 3.183 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.632 2.994 3.675 1.00 0.00 H new ATOM 211 N LEU A 13 0.865 0.518 4.892 1.00 0.00 N ATOM 212 CA LEU A 13 -0.266 0.062 4.082 1.00 0.00 C ATOM 213 C LEU A 13 -1.095 1.278 3.627 1.00 0.00 C ATOM 214 O LEU A 13 -1.270 1.508 2.431 1.00 0.00 O ATOM 215 CB LEU A 13 -1.065 -0.989 4.890 1.00 0.00 C ATOM 216 CG LEU A 13 -1.764 -2.062 4.037 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.309 -3.190 4.909 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.886 -1.525 3.167 1.00 0.00 C ATOM 0 H LEU A 13 0.888 0.076 5.811 1.00 0.00 H new ATOM 0 HA LEU A 13 0.064 -0.432 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.388 -1.483 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.817 -0.473 5.487 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.989 -2.439 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.797 -3.933 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.489 -3.658 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.031 -2.785 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.328 -2.343 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.649 -1.069 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.488 -0.778 2.480 1.00 0.00 H new ATOM 230 N VAL A 14 -1.554 2.095 4.581 1.00 0.00 N ATOM 231 CA VAL A 14 -2.324 3.328 4.348 1.00 0.00 C ATOM 232 C VAL A 14 -1.540 4.349 3.506 1.00 0.00 C ATOM 233 O VAL A 14 -2.089 4.866 2.532 1.00 0.00 O ATOM 234 CB VAL A 14 -2.812 3.916 5.684 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.520 5.266 5.510 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.806 2.956 6.357 1.00 0.00 C ATOM 0 H VAL A 14 -1.396 1.912 5.572 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.204 3.072 3.759 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.921 4.059 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.844 5.635 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.832 5.982 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.388 5.141 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.143 3.384 7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.663 2.802 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.317 2.000 6.546 1.00 0.00 H new ATOM 246 N LEU A 15 -0.273 4.642 3.839 1.00 0.00 N ATOM 247 CA LEU A 15 0.568 5.574 3.068 1.00 0.00 C ATOM 248 C LEU A 15 0.675 5.156 1.590 1.00 0.00 C ATOM 249 O LEU A 15 0.498 5.987 0.701 1.00 0.00 O ATOM 250 CB LEU A 15 1.992 5.699 3.641 1.00 0.00 C ATOM 251 CG LEU A 15 2.197 6.345 5.018 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.705 6.484 5.236 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.556 7.724 5.130 1.00 0.00 C ATOM 0 H LEU A 15 0.198 4.240 4.650 1.00 0.00 H new ATOM 0 HA LEU A 15 0.071 6.541 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.416 4.696 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.585 6.265 2.923 1.00 0.00 H new ATOM 0 HG LEU A 15 1.722 5.713 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.892 6.941 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.170 5.499 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.130 7.112 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.735 8.129 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.991 8.389 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.483 7.641 4.960 1.00 0.00 H new ATOM 265 N LEU A 16 0.973 3.880 1.323 1.00 0.00 N ATOM 266 CA LEU A 16 1.102 3.315 -0.023 1.00 0.00 C ATOM 267 C LEU A 16 -0.187 3.498 -0.846 1.00 0.00 C ATOM 268 O LEU A 16 -0.142 3.944 -1.994 1.00 0.00 O ATOM 269 CB LEU A 16 1.510 1.839 0.105 1.00 0.00 C ATOM 270 CG LEU A 16 1.810 1.167 -1.244 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.071 1.744 -1.884 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.044 -0.322 -1.017 1.00 0.00 C ATOM 0 H LEU A 16 1.136 3.193 2.059 1.00 0.00 H new ATOM 0 HA LEU A 16 1.876 3.851 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.392 1.768 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.711 1.291 0.605 1.00 0.00 H new ATOM 0 HG LEU A 16 0.960 1.342 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.255 1.247 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.938 2.813 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.921 1.584 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.258 -0.806 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.890 -0.459 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.152 -0.767 -0.576 1.00 0.00 H new ATOM 284 N LEU A 17 -1.338 3.174 -0.248 1.00 0.00 N ATOM 285 CA LEU A 17 -2.667 3.355 -0.845 1.00 0.00 C ATOM 286 C LEU A 17 -2.902 4.835 -1.200 1.00 0.00 C ATOM 287 O LEU A 17 -3.259 5.137 -2.343 1.00 0.00 O ATOM 288 CB LEU A 17 -3.750 2.813 0.106 1.00 0.00 C ATOM 289 CG LEU A 17 -3.705 1.285 0.298 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.513 0.906 1.537 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.272 0.525 -0.898 1.00 0.00 C ATOM 0 H LEU A 17 -1.373 2.769 0.687 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.725 2.787 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.640 3.295 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.731 3.092 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.656 1.008 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.482 -0.175 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.087 1.396 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.547 1.226 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.215 -0.547 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.312 0.812 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.694 0.767 -1.790 1.00 0.00 H new ATOM 303 N HIS A 18 -2.665 5.754 -0.252 1.00 0.00 N ATOM 304 CA HIS A 18 -2.758 7.201 -0.478 1.00 0.00 C ATOM 305 C HIS A 18 -1.873 7.620 -1.663 1.00 0.00 C ATOM 306 O HIS A 18 -2.373 8.262 -2.582 1.00 0.00 O ATOM 307 CB HIS A 18 -2.410 8.008 0.790 1.00 0.00 C ATOM 308 CG HIS A 18 -2.383 9.507 0.552 1.00 0.00 C ATOM 309 ND1 HIS A 18 -3.373 10.415 0.867 1.00 0.00 N ATOM 310 CD2 HIS A 18 -1.390 10.203 -0.090 1.00 0.00 C ATOM 311 CE1 HIS A 18 -2.984 11.621 0.401 1.00 0.00 C ATOM 312 NE2 HIS A 18 -1.784 11.544 -0.205 1.00 0.00 N ATOM 0 H HIS A 18 -2.401 5.509 0.702 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.795 7.429 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.139 7.783 1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.437 7.687 1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.241 10.212 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.460 9.787 -0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.560 12.529 0.501 1.00 0.00 H new ATOM 320 N ALA A 19 -0.583 7.260 -1.659 1.00 0.00 N ATOM 321 CA ALA A 19 0.399 7.600 -2.691 1.00 0.00 C ATOM 322 C ALA A 19 -0.118 7.390 -4.125 1.00 0.00 C ATOM 323 O ALA A 19 -0.015 8.293 -4.959 1.00 0.00 O ATOM 324 CB ALA A 19 1.700 6.841 -2.422 1.00 0.00 C ATOM 0 H ALA A 19 -0.181 6.702 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 19 0.592 8.671 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.433 7.092 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.089 7.121 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.506 5.769 -2.443 1.00 0.00 H new ATOM 330 N HIS A 20 -0.697 6.218 -4.421 1.00 0.00 N ATOM 331 CA HIS A 20 -1.285 5.945 -5.741 1.00 0.00 C ATOM 332 C HIS A 20 -2.475 6.865 -6.043 1.00 0.00 C ATOM 333 O HIS A 20 -2.504 7.456 -7.119 1.00 0.00 O ATOM 334 CB HIS A 20 -1.631 4.464 -5.902 1.00 0.00 C ATOM 335 CG HIS A 20 -2.196 4.150 -7.269 1.00 0.00 C ATOM 336 ND1 HIS A 20 -3.479 3.707 -7.545 1.00 0.00 N ATOM 337 CD2 HIS A 20 -1.549 4.348 -8.458 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.608 3.648 -8.888 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.447 4.028 -9.462 1.00 0.00 N ATOM 0 H HIS A 20 -0.771 5.442 -3.763 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.528 6.175 -6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.736 3.864 -5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.354 4.177 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.532 4.689 -8.588 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.499 3.345 -9.418 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.263 4.072 -10.464 1.00 0.00 H new ATOM 348 N LYS A 21 -3.433 7.028 -5.118 1.00 0.00 N ATOM 349 CA LYS A 21 -4.579 7.956 -5.275 1.00 0.00 C ATOM 350 C LYS A 21 -4.110 9.388 -5.535 1.00 0.00 C ATOM 351 O LYS A 21 -4.615 10.030 -6.449 1.00 0.00 O ATOM 352 CB LYS A 21 -5.535 7.891 -4.066 1.00 0.00 C ATOM 353 CG LYS A 21 -6.743 6.987 -4.348 1.00 0.00 C ATOM 354 CD LYS A 21 -6.313 5.536 -4.617 1.00 0.00 C ATOM 355 CE LYS A 21 -7.518 4.604 -4.658 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.400 4.852 -5.829 1.00 0.00 N ATOM 0 H LYS A 21 -3.441 6.520 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.139 7.629 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.996 7.518 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.881 8.895 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.424 7.013 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.292 7.370 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.776 5.482 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.622 5.208 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.172 3.571 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.096 4.725 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.135 4.117 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.849 5.785 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.834 4.827 -6.701 1.00 0.00 H new ATOM 370 N CYS A 22 -3.135 9.861 -4.768 1.00 0.00 N ATOM 371 CA CYS A 22 -2.489 11.161 -4.884 1.00 0.00 C ATOM 372 C CYS A 22 -1.910 11.348 -6.305 1.00 0.00 C ATOM 373 O CYS A 22 -2.247 12.308 -7.004 1.00 0.00 O ATOM 374 CB CYS A 22 -1.455 11.226 -3.749 1.00 0.00 C ATOM 375 SG CYS A 22 -0.894 12.916 -3.423 1.00 0.00 S ATOM 0 H CYS A 22 -2.751 9.311 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.180 11.996 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.890 10.809 -2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.597 10.605 -4.006 1.00 0.00 H new ATOM 380 N GLN A 23 -1.092 10.390 -6.767 1.00 0.00 N ATOM 381 CA GLN A 23 -0.517 10.348 -8.119 1.00 0.00 C ATOM 382 C GLN A 23 -1.617 10.375 -9.200 1.00 0.00 C ATOM 383 O GLN A 23 -1.598 11.235 -10.080 1.00 0.00 O ATOM 384 CB GLN A 23 0.398 9.115 -8.243 1.00 0.00 C ATOM 385 CG GLN A 23 1.235 9.129 -9.530 1.00 0.00 C ATOM 386 CD GLN A 23 2.163 7.917 -9.597 1.00 0.00 C ATOM 387 OE1 GLN A 23 3.238 7.888 -9.012 1.00 0.00 O ATOM 388 NE2 GLN A 23 1.791 6.872 -10.309 1.00 0.00 N ATOM 0 H GLN A 23 -0.804 9.599 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 23 0.087 11.241 -8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.064 9.073 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.211 8.211 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.574 9.133 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.824 10.045 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.898 6.882 -10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.396 6.053 -10.367 1.00 0.00 H new ATOM 397 N ARG A 24 -2.590 9.455 -9.124 1.00 0.00 N ATOM 398 CA ARG A 24 -3.762 9.324 -10.012 1.00 0.00 C ATOM 399 C ARG A 24 -4.503 10.660 -10.140 1.00 0.00 C ATOM 400 O ARG A 24 -4.693 11.156 -11.250 1.00 0.00 O ATOM 401 CB ARG A 24 -4.673 8.215 -9.450 1.00 0.00 C ATOM 402 CG ARG A 24 -5.851 7.817 -10.355 1.00 0.00 C ATOM 403 CD ARG A 24 -7.019 7.295 -9.499 1.00 0.00 C ATOM 404 NE ARG A 24 -7.746 6.175 -10.118 1.00 0.00 N ATOM 405 CZ ARG A 24 -8.561 6.158 -11.153 1.00 0.00 C ATOM 406 NH1 ARG A 24 -8.821 7.222 -11.861 1.00 0.00 N ATOM 407 NH2 ARG A 24 -9.139 5.046 -11.494 1.00 0.00 N ATOM 0 H ARG A 24 -2.582 8.738 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.443 9.050 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.066 7.330 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.068 8.543 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.175 8.676 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.535 7.049 -11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.635 6.977 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.716 8.112 -9.313 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.595 5.268 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.387 8.113 -11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.459 7.163 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.961 4.194 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.771 5.024 -12.294 1.00 0.00 H new ATOM 421 N ARG A 25 -4.899 11.241 -9.001 1.00 0.00 N ATOM 422 CA ARG A 25 -5.583 12.535 -8.853 1.00 0.00 C ATOM 423 C ARG A 25 -4.799 13.649 -9.543 1.00 0.00 C ATOM 424 O ARG A 25 -5.340 14.306 -10.424 1.00 0.00 O ATOM 425 CB ARG A 25 -5.843 12.803 -7.356 1.00 0.00 C ATOM 426 CG ARG A 25 -6.564 14.137 -7.109 1.00 0.00 C ATOM 427 CD ARG A 25 -6.789 14.365 -5.608 1.00 0.00 C ATOM 428 NE ARG A 25 -7.443 15.664 -5.344 1.00 0.00 N ATOM 429 CZ ARG A 25 -8.733 15.944 -5.388 1.00 0.00 C ATOM 430 NH1 ARG A 25 -9.636 15.067 -5.724 1.00 0.00 N ATOM 431 NH2 ARG A 25 -9.139 17.140 -5.086 1.00 0.00 N ATOM 0 H ARG A 25 -4.741 10.792 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.551 12.507 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.441 11.990 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.893 12.803 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.975 14.956 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.522 14.140 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.404 13.560 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.832 14.327 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.824 16.437 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.358 14.116 -5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.621 15.331 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.463 17.855 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.134 17.364 -5.118 1.00 0.00 H new ATOM 445 N GLU A 26 -3.536 13.842 -9.168 1.00 0.00 N ATOM 446 CA GLU A 26 -2.616 14.836 -9.745 1.00 0.00 C ATOM 447 C GLU A 26 -2.543 14.729 -11.282 1.00 0.00 C ATOM 448 O GLU A 26 -2.752 15.720 -11.986 1.00 0.00 O ATOM 449 CB GLU A 26 -1.231 14.683 -9.089 1.00 0.00 C ATOM 450 CG GLU A 26 -0.184 15.712 -9.542 1.00 0.00 C ATOM 451 CD GLU A 26 -0.523 17.142 -9.074 1.00 0.00 C ATOM 452 OE1 GLU A 26 -0.216 17.490 -7.908 1.00 0.00 O ATOM 453 OE2 GLU A 26 -1.078 17.932 -9.873 1.00 0.00 O ATOM 0 H GLU A 26 -3.103 13.292 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.997 15.835 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.347 14.756 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.853 13.683 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.793 15.427 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.110 15.697 -10.629 1.00 0.00 H new ATOM 460 N GLN A 27 -2.265 13.530 -11.810 1.00 0.00 N ATOM 461 CA GLN A 27 -2.187 13.251 -13.250 1.00 0.00 C ATOM 462 C GLN A 27 -3.510 13.560 -13.985 1.00 0.00 C ATOM 463 O GLN A 27 -3.477 14.218 -15.037 1.00 0.00 O ATOM 464 CB GLN A 27 -1.757 11.791 -13.487 1.00 0.00 C ATOM 465 CG GLN A 27 -0.289 11.513 -13.117 1.00 0.00 C ATOM 466 CD GLN A 27 0.699 12.268 -14.006 1.00 0.00 C ATOM 467 OE1 GLN A 27 0.871 11.978 -15.184 1.00 0.00 O ATOM 468 NE2 GLN A 27 1.391 13.262 -13.485 1.00 0.00 N ATOM 0 H GLN A 27 -2.084 12.708 -11.234 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.433 13.918 -13.669 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.401 11.132 -12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.912 11.541 -14.537 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.122 11.793 -12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.096 10.443 -13.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.260 13.517 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.057 13.776 -14.061 1.00 0.00 H new ATOM 477 N ALA A 28 -4.645 13.106 -13.471 1.00 0.00 N ATOM 478 CA ALA A 28 -5.977 13.331 -14.043 1.00 0.00 C ATOM 479 C ALA A 28 -6.409 14.816 -13.961 1.00 0.00 C ATOM 480 O ALA A 28 -6.462 15.514 -14.969 1.00 0.00 O ATOM 481 CB ALA A 28 -6.975 12.396 -13.351 1.00 0.00 C ATOM 0 H ALA A 28 -4.671 12.551 -12.615 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.951 13.098 -15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.970 12.553 -13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.674 11.361 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.991 12.608 -12.282 1.00 0.00 H new ATOM 487 N ASN A 29 -6.679 15.299 -12.735 1.00 0.00 N ATOM 488 CA ASN A 29 -7.059 16.665 -12.368 1.00 0.00 C ATOM 489 C ASN A 29 -7.027 16.803 -10.831 1.00 0.00 C ATOM 490 O ASN A 29 -7.894 16.264 -10.136 1.00 0.00 O ATOM 491 CB ASN A 29 -8.460 17.007 -12.922 1.00 0.00 C ATOM 492 CG ASN A 29 -8.871 18.426 -12.553 1.00 0.00 C ATOM 493 OD1 ASN A 29 -8.273 19.398 -12.994 1.00 0.00 O ATOM 494 ND2 ASN A 29 -9.885 18.592 -11.736 1.00 0.00 N ATOM 0 H ASN A 29 -6.632 14.693 -11.916 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.350 17.368 -12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -8.461 16.896 -14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.191 16.301 -12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.175 19.532 -11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.383 17.781 -11.369 1.00 0.00 H new ATOM 501 N GLY A 30 -6.033 17.520 -10.295 1.00 0.00 N ATOM 502 CA GLY A 30 -5.836 17.737 -8.855 1.00 0.00 C ATOM 503 C GLY A 30 -5.763 19.220 -8.495 1.00 0.00 C ATOM 504 O GLY A 30 -4.705 19.724 -8.115 1.00 0.00 O ATOM 0 H GLY A 30 -5.323 17.979 -10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.654 17.272 -8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.917 17.243 -8.538 1.00 0.00 H new ATOM 508 N GLU A 31 -6.895 19.920 -8.609 1.00 0.00 N ATOM 509 CA GLU A 31 -7.040 21.351 -8.289 1.00 0.00 C ATOM 510 C GLU A 31 -6.829 21.591 -6.784 1.00 0.00 C ATOM 511 O GLU A 31 -5.894 22.288 -6.380 1.00 0.00 O ATOM 512 CB GLU A 31 -8.421 21.852 -8.744 1.00 0.00 C ATOM 513 CG GLU A 31 -8.529 21.905 -10.272 1.00 0.00 C ATOM 514 CD GLU A 31 -9.974 22.195 -10.717 1.00 0.00 C ATOM 515 OE1 GLU A 31 -10.363 23.385 -10.810 1.00 0.00 O ATOM 516 OE2 GLU A 31 -10.728 21.226 -10.980 1.00 0.00 O ATOM 0 H GLU A 31 -7.764 19.498 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.277 21.915 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.195 21.196 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.602 22.845 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.864 22.677 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.198 20.957 -10.696 1.00 0.00 H new ATOM 523 N VAL A 32 -7.677 20.981 -5.949 1.00 0.00 N ATOM 524 CA VAL A 32 -7.567 21.015 -4.482 1.00 0.00 C ATOM 525 C VAL A 32 -6.604 19.897 -4.069 1.00 0.00 C ATOM 526 O VAL A 32 -6.924 18.712 -4.216 1.00 0.00 O ATOM 527 CB VAL A 32 -8.941 20.846 -3.799 1.00 0.00 C ATOM 528 CG1 VAL A 32 -8.813 20.917 -2.270 1.00 0.00 C ATOM 529 CG2 VAL A 32 -9.923 21.940 -4.238 1.00 0.00 C ATOM 0 H VAL A 32 -8.476 20.438 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.188 21.986 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.316 19.868 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.797 20.795 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.152 20.123 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.399 21.884 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.880 21.791 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.522 22.918 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.065 21.889 -5.317 1.00 0.00 H new ATOM 539 N ARG A 33 -5.416 20.261 -3.577 1.00 0.00 N ATOM 540 CA ARG A 33 -4.372 19.318 -3.140 1.00 0.00 C ATOM 541 C ARG A 33 -4.784 18.624 -1.835 1.00 0.00 C ATOM 542 O ARG A 33 -4.705 19.211 -0.754 1.00 0.00 O ATOM 543 CB ARG A 33 -3.020 20.042 -2.993 1.00 0.00 C ATOM 544 CG ARG A 33 -2.472 20.529 -4.347 1.00 0.00 C ATOM 545 CD ARG A 33 -1.090 21.183 -4.215 1.00 0.00 C ATOM 546 NE ARG A 33 -1.144 22.463 -3.476 1.00 0.00 N ATOM 547 CZ ARG A 33 -0.125 23.240 -3.157 1.00 0.00 C ATOM 548 NH1 ARG A 33 1.104 22.941 -3.470 1.00 0.00 N ATOM 549 NH2 ARG A 33 -0.324 24.351 -2.506 1.00 0.00 N ATOM 0 H ARG A 33 -5.144 21.238 -3.468 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.255 18.547 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.137 20.893 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.298 19.369 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.408 19.686 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.170 21.244 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.414 20.498 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.676 21.356 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.068 22.780 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.306 22.081 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.864 23.567 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.270 24.624 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.466 24.948 -2.262 1.00 0.00 H new ATOM 563 N ALA A 34 -5.233 17.374 -1.943 1.00 0.00 N ATOM 564 CA ALA A 34 -5.662 16.538 -0.818 1.00 0.00 C ATOM 565 C ALA A 34 -4.487 16.090 0.079 1.00 0.00 C ATOM 566 O ALA A 34 -4.667 15.860 1.280 1.00 0.00 O ATOM 567 CB ALA A 34 -6.420 15.327 -1.379 1.00 0.00 C ATOM 0 H ALA A 34 -5.311 16.899 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.313 17.130 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.749 14.691 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.288 15.670 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.762 14.759 -2.037 1.00 0.00 H new ATOM 573 N CYS A 35 -3.294 15.946 -0.511 1.00 0.00 N ATOM 574 CA CYS A 35 -2.062 15.496 0.127 1.00 0.00 C ATOM 575 C CYS A 35 -1.693 16.309 1.385 1.00 0.00 C ATOM 576 O CYS A 35 -1.493 17.530 1.334 1.00 0.00 O ATOM 577 CB CYS A 35 -0.947 15.535 -0.928 1.00 0.00 C ATOM 578 SG CYS A 35 0.422 14.444 -0.436 1.00 0.00 S ATOM 0 H CYS A 35 -3.161 16.153 -1.501 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.205 14.479 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.341 15.223 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.584 16.556 -1.046 1.00 0.00 H new ATOM 583 N SER A 36 -1.612 15.611 2.521 1.00 0.00 N ATOM 584 CA SER A 36 -1.270 16.139 3.853 1.00 0.00 C ATOM 585 C SER A 36 -0.261 15.223 4.575 1.00 0.00 C ATOM 586 O SER A 36 -0.252 15.132 5.805 1.00 0.00 O ATOM 587 CB SER A 36 -2.550 16.307 4.691 1.00 0.00 C ATOM 588 OG SER A 36 -3.507 17.140 4.051 1.00 0.00 O ATOM 0 H SER A 36 -1.792 14.607 2.542 1.00 0.00 H new ATOM 0 HA SER A 36 -0.797 17.113 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.991 15.328 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.293 16.731 5.662 1.00 0.00 H new ATOM 0 HG SER A 36 -3.818 16.708 3.228 1.00 0.00 H new ATOM 594 N LEU A 37 0.581 14.516 3.809 1.00 0.00 N ATOM 595 CA LEU A 37 1.552 13.518 4.273 1.00 0.00 C ATOM 596 C LEU A 37 2.934 13.739 3.610 1.00 0.00 C ATOM 597 O LEU A 37 3.099 13.401 2.439 1.00 0.00 O ATOM 598 CB LEU A 37 1.000 12.114 3.931 1.00 0.00 C ATOM 599 CG LEU A 37 -0.328 11.733 4.616 1.00 0.00 C ATOM 600 CD1 LEU A 37 -0.929 10.499 3.945 1.00 0.00 C ATOM 601 CD2 LEU A 37 -0.133 11.434 6.104 1.00 0.00 C ATOM 0 H LEU A 37 0.604 14.632 2.796 1.00 0.00 H new ATOM 0 HA LEU A 37 1.693 13.613 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.862 12.051 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.752 11.372 4.200 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.999 12.586 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.866 10.238 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.118 10.712 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.232 9.665 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.092 11.170 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.563 10.603 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.269 12.316 6.603 1.00 0.00 H new ATOM 613 N PRO A 38 3.952 14.280 4.312 1.00 0.00 N ATOM 614 CA PRO A 38 5.298 14.502 3.758 1.00 0.00 C ATOM 615 C PRO A 38 5.902 13.274 3.049 1.00 0.00 C ATOM 616 O PRO A 38 6.492 13.385 1.971 1.00 0.00 O ATOM 617 CB PRO A 38 6.160 14.955 4.944 1.00 0.00 C ATOM 618 CG PRO A 38 5.148 15.591 5.893 1.00 0.00 C ATOM 619 CD PRO A 38 3.897 14.737 5.693 1.00 0.00 C ATOM 0 HA PRO A 38 5.253 15.251 2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.676 14.115 5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.925 15.668 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.493 15.564 6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.966 16.637 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.883 13.895 6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.993 15.317 5.878 1.00 0.00 H new ATOM 627 N HIS A 39 5.750 12.094 3.663 1.00 0.00 N ATOM 628 CA HIS A 39 6.237 10.785 3.194 1.00 0.00 C ATOM 629 C HIS A 39 5.538 10.227 1.939 1.00 0.00 C ATOM 630 O HIS A 39 6.021 9.242 1.375 1.00 0.00 O ATOM 631 CB HIS A 39 6.198 9.797 4.369 1.00 0.00 C ATOM 632 CG HIS A 39 7.117 10.217 5.495 1.00 0.00 C ATOM 633 ND1 HIS A 39 6.734 10.619 6.762 1.00 0.00 N ATOM 634 CD2 HIS A 39 8.479 10.317 5.414 1.00 0.00 C ATOM 635 CE1 HIS A 39 7.851 10.944 7.445 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.925 10.766 6.646 1.00 0.00 N ATOM 0 H HIS A 39 5.256 12.020 4.552 1.00 0.00 H new ATOM 0 HA HIS A 39 7.262 10.933 2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.177 9.720 4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.484 8.805 4.018 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.778 10.662 7.116 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.090 10.089 4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.881 11.291 8.467 1.00 0.00 H new ATOM 645 N CYS A 40 4.440 10.837 1.480 1.00 0.00 N ATOM 646 CA CYS A 40 3.704 10.458 0.270 1.00 0.00 C ATOM 647 C CYS A 40 4.641 10.368 -0.953 1.00 0.00 C ATOM 648 O CYS A 40 4.681 9.345 -1.639 1.00 0.00 O ATOM 649 CB CYS A 40 2.568 11.471 0.081 1.00 0.00 C ATOM 650 SG CYS A 40 1.569 11.096 -1.381 1.00 0.00 S ATOM 0 H CYS A 40 4.025 11.637 1.958 1.00 0.00 H new ATOM 0 HA CYS A 40 3.277 9.461 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.931 11.472 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.986 12.473 -0.012 1.00 0.00 H new ATOM 655 N ARG A 41 5.458 11.408 -1.193 1.00 0.00 N ATOM 656 CA ARG A 41 6.470 11.456 -2.269 1.00 0.00 C ATOM 657 C ARG A 41 7.401 10.238 -2.233 1.00 0.00 C ATOM 658 O ARG A 41 7.668 9.632 -3.272 1.00 0.00 O ATOM 659 CB ARG A 41 7.241 12.786 -2.207 1.00 0.00 C ATOM 660 CG ARG A 41 8.058 13.015 -3.491 1.00 0.00 C ATOM 661 CD ARG A 41 8.853 14.328 -3.457 1.00 0.00 C ATOM 662 NE ARG A 41 7.976 15.516 -3.477 1.00 0.00 N ATOM 663 CZ ARG A 41 8.348 16.781 -3.376 1.00 0.00 C ATOM 664 NH1 ARG A 41 9.597 17.130 -3.242 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.460 17.732 -3.411 1.00 0.00 N ATOM 0 H ARG A 41 5.435 12.260 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 41 5.956 11.410 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.541 13.609 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.907 12.784 -1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.746 12.181 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.386 13.024 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.472 14.352 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.528 14.363 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 41 6.976 15.342 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.325 16.417 -3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.846 18.116 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.472 17.503 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.752 18.706 -3.333 1.00 0.00 H new ATOM 679 N THR A 42 7.876 9.853 -1.048 1.00 0.00 N ATOM 680 CA THR A 42 8.715 8.660 -0.838 1.00 0.00 C ATOM 681 C THR A 42 7.951 7.402 -1.263 1.00 0.00 C ATOM 682 O THR A 42 8.465 6.612 -2.055 1.00 0.00 O ATOM 683 CB THR A 42 9.200 8.540 0.615 1.00 0.00 C ATOM 684 OG1 THR A 42 9.672 9.792 1.075 1.00 0.00 O ATOM 685 CG2 THR A 42 10.358 7.546 0.728 1.00 0.00 C ATOM 0 H THR A 42 7.688 10.367 -0.188 1.00 0.00 H new ATOM 0 HA THR A 42 9.604 8.766 -1.459 1.00 0.00 H new ATOM 0 HB THR A 42 8.354 8.198 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.977 9.706 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.681 7.481 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.029 6.564 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.190 7.884 0.110 1.00 0.00 H new ATOM 693 N MET A 43 6.706 7.226 -0.803 1.00 0.00 N ATOM 694 CA MET A 43 5.851 6.110 -1.231 1.00 0.00 C ATOM 695 C MET A 43 5.603 6.112 -2.751 1.00 0.00 C ATOM 696 O MET A 43 5.612 5.043 -3.350 1.00 0.00 O ATOM 697 CB MET A 43 4.530 6.052 -0.461 1.00 0.00 C ATOM 698 CG MET A 43 4.669 5.577 0.986 1.00 0.00 C ATOM 699 SD MET A 43 5.431 3.944 1.227 1.00 0.00 S ATOM 700 CE MET A 43 7.110 4.440 1.697 1.00 0.00 C ATOM 0 H MET A 43 6.264 7.849 -0.127 1.00 0.00 H new ATOM 0 HA MET A 43 6.406 5.203 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.076 7.043 -0.464 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.845 5.386 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.258 6.313 1.533 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.677 5.562 1.438 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.693 3.555 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.583 4.960 0.863 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.065 5.104 2.560 1.00 0.00 H new ATOM 710 N LYS A 44 5.418 7.270 -3.405 1.00 0.00 N ATOM 711 CA LYS A 44 5.279 7.373 -4.875 1.00 0.00 C ATOM 712 C LYS A 44 6.532 6.855 -5.594 1.00 0.00 C ATOM 713 O LYS A 44 6.413 6.119 -6.570 1.00 0.00 O ATOM 714 CB LYS A 44 4.962 8.805 -5.331 1.00 0.00 C ATOM 715 CG LYS A 44 3.516 9.230 -5.040 1.00 0.00 C ATOM 716 CD LYS A 44 3.246 10.576 -5.735 1.00 0.00 C ATOM 717 CE LYS A 44 1.860 11.146 -5.425 1.00 0.00 C ATOM 718 NZ LYS A 44 1.823 11.910 -4.162 1.00 0.00 N ATOM 0 H LYS A 44 5.360 8.170 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 44 4.433 6.742 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.643 9.496 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.149 8.887 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.820 8.473 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.358 9.322 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.005 11.295 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.347 10.448 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.547 11.793 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.140 10.329 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.952 12.478 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.841 11.251 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.649 12.540 -4.113 1.00 0.00 H new ATOM 732 N ASN A 45 7.728 7.201 -5.106 1.00 0.00 N ATOM 733 CA ASN A 45 9.001 6.694 -5.639 1.00 0.00 C ATOM 734 C ASN A 45 9.048 5.158 -5.515 1.00 0.00 C ATOM 735 O ASN A 45 9.331 4.465 -6.494 1.00 0.00 O ATOM 736 CB ASN A 45 10.193 7.374 -4.939 1.00 0.00 C ATOM 737 CG ASN A 45 10.526 8.729 -5.541 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.432 8.867 -6.351 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.813 9.772 -5.180 1.00 0.00 N ATOM 0 H ASN A 45 7.843 7.846 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 45 9.074 6.942 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.966 7.496 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.067 6.726 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.016 10.690 -5.575 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.056 9.663 -4.505 1.00 0.00 H new ATOM 746 N VAL A 46 8.723 4.630 -4.326 1.00 0.00 N ATOM 747 CA VAL A 46 8.610 3.187 -4.034 1.00 0.00 C ATOM 748 C VAL A 46 7.641 2.524 -5.024 1.00 0.00 C ATOM 749 O VAL A 46 8.036 1.598 -5.722 1.00 0.00 O ATOM 750 CB VAL A 46 8.215 2.958 -2.558 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.805 1.518 -2.238 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.384 3.331 -1.636 1.00 0.00 C ATOM 0 H VAL A 46 8.524 5.212 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 46 9.581 2.711 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 46 7.346 3.595 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.543 1.440 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.945 1.241 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.635 0.846 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.096 3.166 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.248 2.711 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.640 4.381 -1.779 1.00 0.00 H new ATOM 762 N LEU A 47 6.402 3.017 -5.123 1.00 0.00 N ATOM 763 CA LEU A 47 5.322 2.604 -6.033 1.00 0.00 C ATOM 764 C LEU A 47 5.794 2.514 -7.495 1.00 0.00 C ATOM 765 O LEU A 47 5.666 1.459 -8.121 1.00 0.00 O ATOM 766 CB LEU A 47 4.140 3.580 -5.828 1.00 0.00 C ATOM 767 CG LEU A 47 2.815 3.297 -6.552 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.799 3.620 -8.045 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.389 1.851 -6.371 1.00 0.00 C ATOM 0 H LEU A 47 6.101 3.781 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 47 4.994 1.592 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.930 3.624 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.475 4.573 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 47 2.112 3.981 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.818 3.383 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.008 4.680 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.559 3.027 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.448 1.681 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.156 1.192 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.257 1.641 -5.310 1.00 0.00 H new ATOM 781 N ASN A 48 6.351 3.605 -8.031 1.00 0.00 N ATOM 782 CA ASN A 48 6.896 3.689 -9.390 1.00 0.00 C ATOM 783 C ASN A 48 7.948 2.602 -9.652 1.00 0.00 C ATOM 784 O ASN A 48 7.938 1.958 -10.701 1.00 0.00 O ATOM 785 CB ASN A 48 7.502 5.084 -9.599 1.00 0.00 C ATOM 786 CG ASN A 48 8.093 5.228 -10.994 1.00 0.00 C ATOM 787 OD1 ASN A 48 7.395 5.200 -11.998 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.394 5.369 -11.108 1.00 0.00 N ATOM 0 H ASN A 48 6.438 4.481 -7.515 1.00 0.00 H new ATOM 0 HA ASN A 48 6.085 3.525 -10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.734 5.843 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.277 5.261 -8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.819 5.455 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.979 5.393 -10.273 1.00 0.00 H new ATOM 795 N HIS A 49 8.871 2.397 -8.713 1.00 0.00 N ATOM 796 CA HIS A 49 9.883 1.353 -8.818 1.00 0.00 C ATOM 797 C HIS A 49 9.227 -0.049 -8.760 1.00 0.00 C ATOM 798 O HIS A 49 9.503 -0.882 -9.622 1.00 0.00 O ATOM 799 CB HIS A 49 10.953 1.589 -7.745 1.00 0.00 C ATOM 800 CG HIS A 49 12.012 0.517 -7.741 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.110 0.440 -8.573 1.00 0.00 N ATOM 802 CD2 HIS A 49 11.959 -0.642 -7.017 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.689 -0.760 -8.371 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.030 -1.447 -7.422 1.00 0.00 N ATOM 0 H HIS A 49 8.936 2.951 -7.859 1.00 0.00 H new ATOM 0 HA HIS A 49 10.385 1.395 -9.785 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.423 2.558 -7.912 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.478 1.629 -6.765 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.426 1.160 -9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.223 -0.891 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.561 -1.119 -8.898 1.00 0.00 H new ATOM 812 N MET A 50 8.340 -0.299 -7.787 1.00 0.00 N ATOM 813 CA MET A 50 7.596 -1.547 -7.533 1.00 0.00 C ATOM 814 C MET A 50 7.007 -2.215 -8.786 1.00 0.00 C ATOM 815 O MET A 50 7.141 -3.426 -8.958 1.00 0.00 O ATOM 816 CB MET A 50 6.455 -1.313 -6.520 1.00 0.00 C ATOM 817 CG MET A 50 6.484 -2.293 -5.348 1.00 0.00 C ATOM 818 SD MET A 50 4.885 -2.586 -4.544 1.00 0.00 S ATOM 819 CE MET A 50 4.198 -0.916 -4.426 1.00 0.00 C ATOM 0 H MET A 50 8.104 0.419 -7.103 1.00 0.00 H new ATOM 0 HA MET A 50 8.345 -2.230 -7.132 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.521 -0.295 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.498 -1.399 -7.034 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.874 -3.247 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.185 -1.920 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.234 -0.954 -3.919 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.880 -0.281 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.065 -0.506 -5.427 1.00 0.00 H new ATOM 829 N THR A 51 6.327 -1.448 -9.647 1.00 0.00 N ATOM 830 CA THR A 51 5.705 -1.947 -10.888 1.00 0.00 C ATOM 831 C THR A 51 6.736 -2.495 -11.878 1.00 0.00 C ATOM 832 O THR A 51 6.553 -3.581 -12.432 1.00 0.00 O ATOM 833 CB THR A 51 4.868 -0.867 -11.590 1.00 0.00 C ATOM 834 OG1 THR A 51 5.576 0.348 -11.667 1.00 0.00 O ATOM 835 CG2 THR A 51 3.557 -0.609 -10.853 1.00 0.00 C ATOM 0 H THR A 51 6.189 -0.448 -9.502 1.00 0.00 H new ATOM 0 HA THR A 51 5.050 -2.760 -10.576 1.00 0.00 H new ATOM 0 HB THR A 51 4.655 -1.239 -12.592 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.024 1.020 -12.119 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.990 0.160 -11.377 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.973 -1.529 -10.817 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.770 -0.274 -9.838 1.00 0.00 H new ATOM 843 N HIS A 52 7.812 -1.739 -12.113 1.00 0.00 N ATOM 844 CA HIS A 52 8.917 -2.083 -13.017 1.00 0.00 C ATOM 845 C HIS A 52 9.776 -3.239 -12.478 1.00 0.00 C ATOM 846 O HIS A 52 10.107 -4.161 -13.229 1.00 0.00 O ATOM 847 CB HIS A 52 9.748 -0.822 -13.296 1.00 0.00 C ATOM 848 CG HIS A 52 8.943 0.253 -13.988 1.00 0.00 C ATOM 849 ND1 HIS A 52 8.333 1.335 -13.381 1.00 0.00 N ATOM 850 CD2 HIS A 52 8.628 0.283 -15.317 1.00 0.00 C ATOM 851 CE1 HIS A 52 7.676 2.027 -14.333 1.00 0.00 C ATOM 852 NE2 HIS A 52 7.844 1.407 -15.521 1.00 0.00 N ATOM 0 H HIS A 52 7.944 -0.834 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 52 8.501 -2.447 -13.957 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.139 -0.432 -12.356 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.607 -1.085 -13.914 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.373 1.568 -12.389 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.932 -0.433 -16.066 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.107 2.931 -14.172 1.00 0.00 H new ATOM 861 N CYS A 53 10.130 -3.193 -11.193 1.00 0.00 N ATOM 862 CA CYS A 53 10.901 -4.202 -10.472 1.00 0.00 C ATOM 863 C CYS A 53 10.160 -5.561 -10.447 1.00 0.00 C ATOM 864 O CYS A 53 8.934 -5.625 -10.304 1.00 0.00 O ATOM 865 CB CYS A 53 11.167 -3.643 -9.067 1.00 0.00 C ATOM 866 SG CYS A 53 12.138 -4.781 -8.020 1.00 0.00 S ATOM 0 H CYS A 53 9.871 -2.407 -10.596 1.00 0.00 H new ATOM 0 HA CYS A 53 11.849 -4.404 -10.970 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.698 -2.695 -9.153 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.215 -3.432 -8.579 1.00 0.00 H new ATOM 871 N GLN A 54 10.911 -6.656 -10.576 1.00 0.00 N ATOM 872 CA GLN A 54 10.408 -8.040 -10.563 1.00 0.00 C ATOM 873 C GLN A 54 11.123 -8.927 -9.526 1.00 0.00 C ATOM 874 O GLN A 54 10.760 -10.094 -9.349 1.00 0.00 O ATOM 875 CB GLN A 54 10.543 -8.651 -11.969 1.00 0.00 C ATOM 876 CG GLN A 54 9.751 -7.883 -13.039 1.00 0.00 C ATOM 877 CD GLN A 54 9.802 -8.591 -14.391 1.00 0.00 C ATOM 878 OE1 GLN A 54 10.713 -8.411 -15.191 1.00 0.00 O ATOM 879 NE2 GLN A 54 8.831 -9.427 -14.707 1.00 0.00 N ATOM 0 H GLN A 54 11.923 -6.607 -10.697 1.00 0.00 H new ATOM 0 HA GLN A 54 9.359 -8.001 -10.270 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.596 -8.672 -12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.199 -9.685 -11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.714 -7.779 -12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.156 -6.876 -13.139 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.065 -9.589 -14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.847 -9.911 -15.605 1.00 0.00 H new ATOM 888 N ALA A 55 12.136 -8.392 -8.837 1.00 0.00 N ATOM 889 CA ALA A 55 12.929 -9.093 -7.834 1.00 0.00 C ATOM 890 C ALA A 55 12.135 -9.346 -6.538 1.00 0.00 C ATOM 891 O ALA A 55 12.028 -10.494 -6.099 1.00 0.00 O ATOM 892 CB ALA A 55 14.212 -8.290 -7.599 1.00 0.00 C ATOM 0 H ALA A 55 12.433 -7.425 -8.970 1.00 0.00 H new ATOM 0 HA ALA A 55 13.191 -10.087 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.825 -8.794 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.769 -8.213 -8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.956 -7.291 -7.246 1.00 0.00 H new ATOM 898 N GLY A 56 11.588 -8.293 -5.915 1.00 0.00 N ATOM 899 CA GLY A 56 10.806 -8.361 -4.672 1.00 0.00 C ATOM 900 C GLY A 56 11.646 -8.801 -3.470 1.00 0.00 C ATOM 901 O GLY A 56 12.228 -7.970 -2.773 1.00 0.00 O ATOM 0 H GLY A 56 11.680 -7.342 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.370 -7.383 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.978 -9.057 -4.806 1.00 0.00 H new ATOM 905 N LYS A 57 11.739 -10.119 -3.253 1.00 0.00 N ATOM 906 CA LYS A 57 12.540 -10.765 -2.199 1.00 0.00 C ATOM 907 C LYS A 57 14.020 -10.361 -2.281 1.00 0.00 C ATOM 908 O LYS A 57 14.632 -10.019 -1.270 1.00 0.00 O ATOM 909 CB LYS A 57 12.415 -12.300 -2.306 1.00 0.00 C ATOM 910 CG LYS A 57 11.013 -12.874 -2.024 1.00 0.00 C ATOM 911 CD LYS A 57 10.503 -12.633 -0.595 1.00 0.00 C ATOM 912 CE LYS A 57 11.334 -13.383 0.453 1.00 0.00 C ATOM 913 NZ LYS A 57 10.939 -12.997 1.828 1.00 0.00 N ATOM 0 H LYS A 57 11.238 -10.795 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 57 12.152 -10.429 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.717 -12.602 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.121 -12.754 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.306 -12.435 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.028 -13.947 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.527 -11.565 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.462 -12.949 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.204 -14.457 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.392 -13.169 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.584 -13.442 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.989 -11.963 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.966 -13.315 2.012 1.00 0.00 H new ATOM 927 N ALA A 58 14.591 -10.441 -3.485 1.00 0.00 N ATOM 928 CA ALA A 58 15.998 -10.164 -3.779 1.00 0.00 C ATOM 929 C ALA A 58 16.366 -8.671 -3.950 1.00 0.00 C ATOM 930 O ALA A 58 17.560 -8.352 -3.958 1.00 0.00 O ATOM 931 CB ALA A 58 16.386 -10.978 -5.021 1.00 0.00 C ATOM 0 H ALA A 58 14.064 -10.712 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 58 16.572 -10.463 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.432 -10.792 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.244 -12.040 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.758 -10.681 -5.861 1.00 0.00 H new ATOM 937 N CYS A 59 15.396 -7.754 -4.088 1.00 0.00 N ATOM 938 CA CYS A 59 15.670 -6.324 -4.255 1.00 0.00 C ATOM 939 C CYS A 59 16.311 -5.732 -2.979 1.00 0.00 C ATOM 940 O CYS A 59 15.883 -6.002 -1.850 1.00 0.00 O ATOM 941 CB CYS A 59 14.385 -5.589 -4.675 1.00 0.00 C ATOM 942 SG CYS A 59 14.787 -4.030 -5.543 1.00 0.00 S ATOM 0 H CYS A 59 14.403 -7.985 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 59 16.398 -6.186 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.789 -6.230 -5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.778 -5.375 -3.795 1.00 0.00 H new ATOM 947 N GLN A 60 17.372 -4.946 -3.168 1.00 0.00 N ATOM 948 CA GLN A 60 18.158 -4.312 -2.101 1.00 0.00 C ATOM 949 C GLN A 60 17.362 -3.268 -1.298 1.00 0.00 C ATOM 950 O GLN A 60 17.560 -3.129 -0.087 1.00 0.00 O ATOM 951 CB GLN A 60 19.424 -3.669 -2.692 1.00 0.00 C ATOM 952 CG GLN A 60 20.371 -4.701 -3.325 1.00 0.00 C ATOM 953 CD GLN A 60 21.655 -4.048 -3.833 1.00 0.00 C ATOM 954 OE1 GLN A 60 21.795 -3.706 -5.001 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.642 -3.843 -2.983 1.00 0.00 N ATOM 0 H GLN A 60 17.722 -4.724 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 60 18.430 -5.102 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.137 -2.935 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.953 -3.129 -1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.618 -5.468 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.865 -5.202 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.541 -4.122 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.507 -3.405 -3.301 1.00 0.00 H new ATOM 964 N VAL A 61 16.475 -2.523 -1.964 1.00 0.00 N ATOM 965 CA VAL A 61 15.626 -1.474 -1.375 1.00 0.00 C ATOM 966 C VAL A 61 14.651 -2.081 -0.353 1.00 0.00 C ATOM 967 O VAL A 61 13.883 -2.990 -0.668 1.00 0.00 O ATOM 968 CB VAL A 61 14.868 -0.707 -2.480 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.008 0.427 -1.900 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.835 -0.075 -3.494 1.00 0.00 C ATOM 0 H VAL A 61 16.320 -2.635 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 61 16.264 -0.763 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 61 14.234 -1.445 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.491 0.942 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.275 0.011 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.647 1.133 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.266 0.456 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.495 0.624 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.431 -0.857 -3.965 1.00 0.00 H new ATOM 980 N ALA A 62 14.679 -1.574 0.885 1.00 0.00 N ATOM 981 CA ALA A 62 13.848 -2.022 2.008 1.00 0.00 C ATOM 982 C ALA A 62 12.340 -2.024 1.677 1.00 0.00 C ATOM 983 O ALA A 62 11.692 -3.074 1.640 1.00 0.00 O ATOM 984 CB ALA A 62 14.192 -1.148 3.226 1.00 0.00 C ATOM 0 H ALA A 62 15.305 -0.811 1.142 1.00 0.00 H new ATOM 0 HA ALA A 62 14.071 -3.065 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.588 -1.458 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.249 -1.262 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.983 -0.103 2.995 1.00 0.00 H new ATOM 990 N HIS A 63 11.784 -0.835 1.419 1.00 0.00 N ATOM 991 CA HIS A 63 10.365 -0.620 1.095 1.00 0.00 C ATOM 992 C HIS A 63 9.864 -1.415 -0.118 1.00 0.00 C ATOM 993 O HIS A 63 8.712 -1.833 -0.102 1.00 0.00 O ATOM 994 CB HIS A 63 10.074 0.878 0.931 1.00 0.00 C ATOM 995 CG HIS A 63 10.381 1.685 2.166 1.00 0.00 C ATOM 996 ND1 HIS A 63 9.691 1.634 3.365 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.418 2.567 2.304 1.00 0.00 C ATOM 998 CE1 HIS A 63 10.311 2.469 4.221 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.362 3.046 3.601 1.00 0.00 N ATOM 0 H HIS A 63 12.323 0.031 1.430 1.00 0.00 H new ATOM 0 HA HIS A 63 9.803 -1.011 1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.660 1.265 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.024 1.010 0.671 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.866 1.069 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.140 2.837 1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.014 2.649 5.244 1.00 0.00 H new ATOM 1008 N CYS A 64 10.686 -1.636 -1.147 1.00 0.00 N ATOM 1009 CA CYS A 64 10.347 -2.402 -2.356 1.00 0.00 C ATOM 1010 C CYS A 64 9.812 -3.814 -2.010 1.00 0.00 C ATOM 1011 O CYS A 64 8.758 -4.250 -2.490 1.00 0.00 O ATOM 1012 CB CYS A 64 11.607 -2.428 -3.234 1.00 0.00 C ATOM 1013 SG CYS A 64 11.295 -3.141 -4.871 1.00 0.00 S ATOM 0 H CYS A 64 11.640 -1.275 -1.165 1.00 0.00 H new ATOM 0 HA CYS A 64 9.531 -1.931 -2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.987 -1.413 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.384 -3.004 -2.732 1.00 0.00 H new ATOM 1018 N ALA A 65 10.517 -4.519 -1.119 1.00 0.00 N ATOM 1019 CA ALA A 65 10.133 -5.828 -0.601 1.00 0.00 C ATOM 1020 C ALA A 65 8.806 -5.757 0.192 1.00 0.00 C ATOM 1021 O ALA A 65 7.859 -6.496 -0.090 1.00 0.00 O ATOM 1022 CB ALA A 65 11.300 -6.355 0.247 1.00 0.00 C ATOM 0 H ALA A 65 11.397 -4.180 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 65 9.942 -6.521 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.044 -7.335 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.192 -6.440 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.494 -5.665 1.068 1.00 0.00 H new ATOM 1028 N SER A 66 8.740 -4.866 1.189 1.00 0.00 N ATOM 1029 CA SER A 66 7.588 -4.635 2.076 1.00 0.00 C ATOM 1030 C SER A 66 6.302 -4.234 1.343 1.00 0.00 C ATOM 1031 O SER A 66 5.266 -4.863 1.540 1.00 0.00 O ATOM 1032 CB SER A 66 7.931 -3.555 3.106 1.00 0.00 C ATOM 1033 OG SER A 66 9.087 -3.926 3.829 1.00 0.00 O ATOM 0 H SER A 66 9.526 -4.255 1.412 1.00 0.00 H new ATOM 0 HA SER A 66 7.389 -5.592 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.096 -2.602 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.094 -3.414 3.790 1.00 0.00 H new ATOM 0 HG SER A 66 9.572 -3.121 4.106 1.00 0.00 H new ATOM 1039 N SER A 67 6.351 -3.186 0.513 1.00 0.00 N ATOM 1040 CA SER A 67 5.227 -2.625 -0.259 1.00 0.00 C ATOM 1041 C SER A 67 4.476 -3.656 -1.105 1.00 0.00 C ATOM 1042 O SER A 67 3.251 -3.579 -1.210 1.00 0.00 O ATOM 1043 CB SER A 67 5.647 -1.407 -1.086 1.00 0.00 C ATOM 1044 OG SER A 67 6.734 -1.694 -1.936 1.00 0.00 O ATOM 0 H SER A 67 7.220 -2.677 0.350 1.00 0.00 H new ATOM 0 HA SER A 67 4.510 -2.286 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.801 -1.065 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.916 -0.590 -0.417 1.00 0.00 H new ATOM 0 HG SER A 67 7.537 -1.855 -1.397 1.00 0.00 H new ATOM 1050 N ARG A 68 5.162 -4.667 -1.650 1.00 0.00 N ATOM 1051 CA ARG A 68 4.485 -5.788 -2.317 1.00 0.00 C ATOM 1052 C ARG A 68 3.710 -6.612 -1.287 1.00 0.00 C ATOM 1053 O ARG A 68 2.519 -6.842 -1.468 1.00 0.00 O ATOM 1054 CB ARG A 68 5.468 -6.677 -3.078 1.00 0.00 C ATOM 1055 CG ARG A 68 6.088 -5.974 -4.289 1.00 0.00 C ATOM 1056 CD ARG A 68 6.954 -6.992 -5.029 1.00 0.00 C ATOM 1057 NE ARG A 68 7.582 -6.444 -6.240 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.666 -5.697 -6.290 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.203 -5.180 -5.233 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.246 -5.474 -7.420 1.00 0.00 N ATOM 0 H ARG A 68 6.180 -4.733 -1.643 1.00 0.00 H new ATOM 0 HA ARG A 68 3.791 -5.373 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.262 -6.995 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.953 -7.578 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.309 -5.587 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.689 -5.122 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.731 -7.356 -4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.341 -7.851 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 68 7.134 -6.664 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.787 -5.345 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.043 -4.607 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.866 -5.876 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.085 -4.895 -7.457 1.00 0.00 H new ATOM 1074 N GLN A 69 4.373 -7.047 -0.212 1.00 0.00 N ATOM 1075 CA GLN A 69 3.829 -7.859 0.887 1.00 0.00 C ATOM 1076 C GLN A 69 2.510 -7.296 1.445 1.00 0.00 C ATOM 1077 O GLN A 69 1.505 -8.005 1.457 1.00 0.00 O ATOM 1078 CB GLN A 69 4.898 -8.025 1.986 1.00 0.00 C ATOM 1079 CG GLN A 69 4.867 -9.382 2.708 1.00 0.00 C ATOM 1080 CD GLN A 69 3.606 -9.726 3.507 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.175 -10.868 3.535 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.978 -8.802 4.204 1.00 0.00 N ATOM 0 H GLN A 69 5.360 -6.831 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 69 3.579 -8.842 0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.883 -7.888 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.769 -7.233 2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.018 -10.163 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.718 -9.421 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.317 -7.840 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.152 -9.048 4.750 1.00 0.00 H new ATOM 1091 N ILE A 70 2.493 -6.031 1.889 1.00 0.00 N ATOM 1092 CA ILE A 70 1.281 -5.364 2.410 1.00 0.00 C ATOM 1093 C ILE A 70 0.068 -5.462 1.468 1.00 0.00 C ATOM 1094 O ILE A 70 -1.040 -5.770 1.912 1.00 0.00 O ATOM 1095 CB ILE A 70 1.528 -3.908 2.877 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.637 -3.121 2.168 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.718 -3.880 4.398 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.489 -1.599 2.294 1.00 0.00 C ATOM 0 H ILE A 70 3.321 -5.435 1.899 1.00 0.00 H new ATOM 0 HA ILE A 70 1.024 -5.936 3.302 1.00 0.00 H new ATOM 0 HB ILE A 70 0.627 -3.373 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.602 -3.419 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.644 -3.391 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.892 -2.855 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.823 -4.269 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.575 -4.497 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.309 -1.109 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.540 -1.288 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.513 -1.317 3.347 1.00 0.00 H new ATOM 1110 N ILE A 71 0.262 -5.225 0.169 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.803 -5.313 -0.845 1.00 0.00 C ATOM 1112 C ILE A 71 -1.172 -6.768 -1.151 1.00 0.00 C ATOM 1113 O ILE A 71 -2.356 -7.082 -1.282 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.413 -4.498 -2.090 1.00 0.00 C ATOM 1115 CG1 ILE A 71 -0.141 -3.030 -1.694 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.485 -4.558 -3.191 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -1.228 -2.348 -0.839 1.00 0.00 C ATOM 0 H ILE A 71 1.169 -4.964 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.715 -4.867 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 71 0.493 -4.944 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.801 -2.991 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.005 -2.448 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.161 -3.967 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.632 -5.593 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.423 -4.157 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.930 -1.322 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.171 -2.344 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.352 -2.895 0.096 1.00 0.00 H new ATOM 1129 N SER A 72 -0.181 -7.663 -1.196 1.00 0.00 N ATOM 1130 CA SER A 72 -0.365 -9.116 -1.347 1.00 0.00 C ATOM 1131 C SER A 72 -1.330 -9.616 -0.272 1.00 0.00 C ATOM 1132 O SER A 72 -2.300 -10.310 -0.584 1.00 0.00 O ATOM 1133 CB SER A 72 0.957 -9.886 -1.236 1.00 0.00 C ATOM 1134 OG SER A 72 1.938 -9.368 -2.110 1.00 0.00 O ATOM 0 H SER A 72 0.800 -7.393 -1.127 1.00 0.00 H new ATOM 0 HA SER A 72 -0.769 -9.295 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.322 -9.837 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.786 -10.938 -1.464 1.00 0.00 H new ATOM 0 HG SER A 72 2.174 -8.458 -1.834 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.089 -9.220 0.984 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.953 -9.506 2.122 1.00 0.00 C ATOM 1142 C HIS A 73 -3.354 -8.935 1.870 1.00 0.00 C ATOM 1143 O HIS A 73 -4.286 -9.724 1.755 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.337 -8.978 3.426 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.112 -9.351 4.675 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.614 -10.085 5.723 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.400 -9.004 5.003 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.575 -10.187 6.657 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.690 -9.547 6.263 1.00 0.00 N ATOM 0 H HIS A 73 -0.263 -8.677 1.237 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.048 -10.586 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.320 -9.360 3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.265 -7.892 3.367 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.677 -10.484 5.782 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.072 -8.416 4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.467 -10.711 7.595 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.520 -7.606 1.772 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.834 -6.967 1.589 1.00 0.00 C ATOM 1159 C TRP A 74 -5.703 -7.597 0.485 1.00 0.00 C ATOM 1160 O TRP A 74 -6.886 -7.869 0.708 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.709 -5.446 1.395 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.032 -4.729 1.429 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -7.006 -4.974 2.334 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.573 -3.689 0.552 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.120 -4.206 2.063 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.910 -3.394 0.972 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.075 -2.956 -0.549 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.713 -2.441 0.328 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.866 -1.979 -1.183 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.181 -1.730 -0.750 1.00 0.00 C ATOM 0 H TRP A 74 -2.746 -6.943 1.817 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.365 -7.156 2.522 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.064 -5.040 2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.221 -5.248 0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.924 -5.672 3.154 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.986 -4.236 2.601 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.075 -3.148 -0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.725 -2.260 0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.459 -1.415 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.781 -0.986 -1.253 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.131 -7.848 -0.702 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.826 -8.477 -1.838 1.00 0.00 C ATOM 1183 C LYS A 75 -6.358 -9.879 -1.491 1.00 0.00 C ATOM 1184 O LYS A 75 -7.518 -10.187 -1.773 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.897 -8.497 -3.064 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.686 -8.780 -4.353 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.752 -8.830 -5.566 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.557 -8.922 -6.868 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.653 -8.954 -8.045 1.00 0.00 N ATOM 0 H LYS A 75 -4.158 -7.617 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.705 -7.879 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.384 -7.539 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.129 -9.259 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.217 -9.727 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.439 -8.006 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.123 -7.940 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.086 -9.689 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.177 -9.819 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.232 -8.069 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.173 -8.646 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.848 -8.316 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.303 -9.923 -8.188 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.521 -10.724 -0.885 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.863 -12.086 -0.456 1.00 0.00 C ATOM 1205 C ASN A 76 -6.813 -12.133 0.759 1.00 0.00 C ATOM 1206 O ASN A 76 -7.607 -13.069 0.869 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.576 -12.863 -0.133 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.909 -13.415 -1.381 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.223 -14.501 -1.848 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.972 -12.702 -1.957 1.00 0.00 N ATOM 0 H ASN A 76 -4.556 -10.473 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.398 -12.547 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.879 -12.207 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.810 -13.684 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.506 -13.053 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.709 -11.796 -1.569 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.690 -11.190 1.694 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.431 -11.121 2.950 1.00 0.00 C ATOM 1219 C CYS A 77 -8.954 -10.945 2.759 1.00 0.00 C ATOM 1220 O CYS A 77 -9.442 -9.989 2.145 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.796 -10.027 3.826 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.119 -10.309 5.591 1.00 0.00 S ATOM 0 H CYS A 77 -6.036 -10.414 1.588 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.350 -12.080 3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.720 -10.001 3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.190 -9.053 3.535 1.00 0.00 H new ATOM 1227 N THR A 78 -9.702 -11.902 3.304 1.00 0.00 N ATOM 1228 CA THR A 78 -11.175 -12.025 3.328 1.00 0.00 C ATOM 1229 C THR A 78 -11.655 -12.386 4.744 1.00 0.00 C ATOM 1230 O THR A 78 -12.683 -13.044 4.946 1.00 0.00 O ATOM 1231 CB THR A 78 -11.670 -13.059 2.295 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.039 -14.313 2.486 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.409 -12.610 0.857 1.00 0.00 C ATOM 0 H THR A 78 -9.262 -12.686 3.786 1.00 0.00 H new ATOM 0 HA THR A 78 -11.602 -11.061 3.052 1.00 0.00 H new ATOM 0 HB THR A 78 -12.745 -13.149 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.285 -14.672 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.775 -13.370 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.928 -11.670 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.338 -12.470 0.708 1.00 0.00 H new ATOM 1241 N ARG A 79 -10.890 -11.933 5.745 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.071 -12.127 7.190 1.00 0.00 C ATOM 1243 C ARG A 79 -12.432 -11.666 7.716 1.00 0.00 C ATOM 1244 O ARG A 79 -13.031 -10.730 7.178 1.00 0.00 O ATOM 1245 CB ARG A 79 -9.983 -11.296 7.913 1.00 0.00 C ATOM 1246 CG ARG A 79 -9.281 -12.009 9.075 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.266 -13.068 8.613 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.168 -12.473 7.831 1.00 0.00 N ATOM 1249 CZ ARG A 79 -5.950 -12.922 7.629 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -5.508 -14.041 8.139 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -5.152 -12.234 6.881 1.00 0.00 N ATOM 0 H ARG A 79 -10.059 -11.375 5.549 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.001 -13.198 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.231 -10.999 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.439 -10.381 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.769 -11.269 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.031 -12.485 9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.856 -13.581 9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.775 -13.820 8.010 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.385 -11.584 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.118 -14.611 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.553 -14.345 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.472 -11.361 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.202 -12.564 6.710 1.00 0.00 H new ATOM 1265 N HIS A 80 -12.854 -12.251 8.843 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.020 -11.785 9.615 1.00 0.00 C ATOM 1267 C HIS A 80 -13.736 -10.333 10.038 1.00 0.00 C ATOM 1268 O HIS A 80 -14.527 -9.425 9.786 1.00 0.00 O ATOM 1269 CB HIS A 80 -14.254 -12.707 10.824 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.318 -12.188 11.758 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.100 -11.415 12.884 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.667 -12.357 11.609 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.302 -11.118 13.414 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.270 -11.682 12.658 1.00 0.00 N ATOM 0 H HIS A 80 -12.396 -13.066 9.250 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.933 -11.816 9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.540 -13.697 10.470 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.320 -12.822 11.373 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.193 -11.123 13.247 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.165 -12.909 10.826 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.466 -10.524 14.301 1.00 0.00 H new ATOM 1283 N ASP A 81 -12.556 -10.130 10.631 1.00 0.00 N ATOM 1284 CA ASP A 81 -11.971 -8.846 11.005 1.00 0.00 C ATOM 1285 C ASP A 81 -10.431 -8.932 11.070 1.00 0.00 C ATOM 1286 O ASP A 81 -9.872 -9.800 11.745 1.00 0.00 O ATOM 1287 CB ASP A 81 -12.570 -8.306 12.316 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.200 -9.117 13.570 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.765 -10.223 13.760 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.400 -8.623 14.400 1.00 0.00 O ATOM 0 H ASP A 81 -11.947 -10.911 10.877 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.225 -8.130 10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.240 -7.277 12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.656 -8.282 12.222 1.00 0.00 H new ATOM 1295 N CYS A 82 -9.759 -8.009 10.376 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.310 -7.789 10.333 1.00 0.00 C ATOM 1297 C CYS A 82 -8.151 -6.269 10.617 1.00 0.00 C ATOM 1298 O CYS A 82 -9.002 -5.488 10.167 1.00 0.00 O ATOM 1299 CB CYS A 82 -7.787 -8.196 8.939 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.106 -8.912 8.891 1.00 0.00 S ATOM 0 H CYS A 82 -10.253 -7.343 9.782 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.740 -8.377 11.053 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.481 -8.919 8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.804 -7.316 8.295 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.138 -5.802 11.369 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.017 -4.396 11.781 1.00 0.00 C ATOM 1307 C PRO A 83 -6.897 -3.350 10.661 1.00 0.00 C ATOM 1308 O PRO A 83 -7.060 -2.157 10.935 1.00 0.00 O ATOM 1309 CB PRO A 83 -5.819 -4.352 12.740 1.00 0.00 C ATOM 1310 CG PRO A 83 -4.997 -5.574 12.335 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.067 -6.590 11.953 1.00 0.00 C ATOM 0 HA PRO A 83 -7.956 -4.097 12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.249 -3.430 12.629 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.136 -4.408 13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.331 -5.355 11.500 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.374 -5.932 13.155 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.682 -7.321 11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.414 -7.145 12.825 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.635 -3.750 9.413 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.519 -2.824 8.268 1.00 0.00 C ATOM 1321 C VAL A 84 -7.453 -3.251 7.138 1.00 0.00 C ATOM 1322 O VAL A 84 -8.233 -2.446 6.629 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.083 -2.673 7.732 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.936 -1.256 7.159 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.026 -2.859 8.814 1.00 0.00 C ATOM 0 H VAL A 84 -6.496 -4.729 9.161 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.812 -1.845 8.647 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.926 -3.445 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.926 -1.123 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.655 -1.113 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.123 -0.524 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.034 -2.741 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.170 -2.112 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.117 -3.856 9.244 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.373 -4.518 6.742 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.119 -5.150 5.672 1.00 0.00 C ATOM 1337 C CYS A 85 -9.633 -4.941 5.781 1.00 0.00 C ATOM 1338 O CYS A 85 -10.246 -4.459 4.829 1.00 0.00 O ATOM 1339 CB CYS A 85 -7.731 -6.636 5.643 1.00 0.00 C ATOM 1340 SG CYS A 85 -5.931 -6.866 5.879 1.00 0.00 S ATOM 0 H CYS A 85 -6.737 -5.173 7.197 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.855 -4.677 4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.272 -7.169 6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.033 -7.073 4.691 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.229 -5.285 6.930 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.658 -5.119 7.204 1.00 0.00 C ATOM 1347 C LEU A 86 -12.115 -3.658 7.006 1.00 0.00 C ATOM 1348 O LEU A 86 -12.967 -3.445 6.141 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.010 -5.748 8.568 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.499 -5.803 8.968 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.085 -4.450 9.374 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.354 -6.448 7.880 1.00 0.00 C ATOM 0 H LEU A 86 -9.717 -5.696 7.711 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.243 -5.670 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.622 -6.767 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.475 -5.195 9.340 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.527 -6.431 9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.135 -4.573 9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.537 -4.058 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.002 -3.753 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.396 -6.468 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.268 -5.871 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.009 -7.467 7.703 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.600 -2.645 7.742 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.016 -1.254 7.552 1.00 0.00 C ATOM 1366 C PRO A 87 -11.832 -0.751 6.107 1.00 0.00 C ATOM 1367 O PRO A 87 -12.745 -0.126 5.564 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.261 -0.428 8.600 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.109 -1.316 9.053 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.622 -2.732 8.821 1.00 0.00 C ATOM 0 HA PRO A 87 -13.091 -1.152 7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.895 0.507 8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.909 -0.166 9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.204 -1.120 8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.863 -1.147 10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.805 -3.402 8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.077 -3.133 9.726 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.698 -1.044 5.452 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.455 -0.696 4.041 1.00 0.00 C ATOM 1380 C LEU A 88 -11.515 -1.318 3.113 1.00 0.00 C ATOM 1381 O LEU A 88 -12.125 -0.612 2.307 1.00 0.00 O ATOM 1382 CB LEU A 88 -9.055 -1.152 3.611 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.870 -0.365 4.185 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.588 -1.070 3.743 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.828 1.079 3.683 1.00 0.00 C ATOM 0 H LEU A 88 -9.917 -1.533 5.889 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.524 0.388 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.937 -2.199 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.000 -1.105 2.523 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.973 -0.332 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.724 -0.534 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.585 -2.091 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.540 -1.088 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.971 1.591 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.739 1.084 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.744 1.592 3.975 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.746 -2.632 3.225 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.741 -3.397 2.454 1.00 0.00 C ATOM 1399 C LYS A 89 -14.148 -2.827 2.656 1.00 0.00 C ATOM 1400 O LYS A 89 -14.850 -2.573 1.680 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.641 -4.885 2.831 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.464 -5.797 1.909 1.00 0.00 C ATOM 1403 CD LYS A 89 -13.475 -7.260 2.381 1.00 0.00 C ATOM 1404 CE LYS A 89 -12.091 -7.907 2.567 1.00 0.00 C ATOM 1405 NZ LYS A 89 -11.333 -8.035 1.295 1.00 0.00 N ATOM 0 H LYS A 89 -11.226 -3.216 3.880 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.530 -3.307 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.596 -5.193 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.979 -5.017 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.488 -5.428 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.058 -5.748 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.012 -7.314 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.039 -7.852 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.510 -7.312 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.215 -8.895 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.569 -8.730 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.974 -8.351 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.925 -7.113 1.040 1.00 0.00 H new ATOM 1419 N ASN A 90 -14.542 -2.594 3.909 1.00 0.00 N ATOM 1420 CA ASN A 90 -15.820 -1.996 4.304 1.00 0.00 C ATOM 1421 C ASN A 90 -16.042 -0.629 3.625 1.00 0.00 C ATOM 1422 O ASN A 90 -17.109 -0.395 3.058 1.00 0.00 O ATOM 1423 CB ASN A 90 -15.884 -1.903 5.837 1.00 0.00 C ATOM 1424 CG ASN A 90 -17.180 -1.264 6.310 1.00 0.00 C ATOM 1425 OD1 ASN A 90 -17.234 -0.092 6.652 1.00 0.00 O ATOM 1426 ND2 ASN A 90 -18.265 -2.005 6.336 1.00 0.00 N ATOM 0 H ASN A 90 -13.955 -2.826 4.710 1.00 0.00 H new ATOM 0 HA ASN A 90 -16.635 -2.635 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -15.793 -2.901 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -15.038 -1.321 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -19.151 -1.602 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -18.221 -2.983 6.051 1.00 0.00 H new ATOM 1433 N ALA A 91 -15.044 0.262 3.665 1.00 0.00 N ATOM 1434 CA ALA A 91 -15.089 1.570 3.006 1.00 0.00 C ATOM 1435 C ALA A 91 -15.229 1.429 1.473 1.00 0.00 C ATOM 1436 O ALA A 91 -16.080 2.080 0.861 1.00 0.00 O ATOM 1437 CB ALA A 91 -13.836 2.367 3.388 1.00 0.00 C ATOM 0 H ALA A 91 -14.171 0.091 4.163 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.972 2.111 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -13.862 3.342 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -13.806 2.502 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -12.947 1.824 3.066 1.00 0.00 H new ATOM 1443 N SER A 92 -14.396 0.579 0.862 1.00 0.00 N ATOM 1444 CA SER A 92 -14.359 0.293 -0.583 1.00 0.00 C ATOM 1445 C SER A 92 -15.687 -0.263 -1.125 1.00 0.00 C ATOM 1446 O SER A 92 -16.157 0.168 -2.180 1.00 0.00 O ATOM 1447 CB SER A 92 -13.227 -0.690 -0.918 1.00 0.00 C ATOM 1448 OG SER A 92 -11.972 -0.225 -0.454 1.00 0.00 O ATOM 0 H SER A 92 -13.697 0.047 1.381 1.00 0.00 H new ATOM 0 HA SER A 92 -14.179 1.251 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.443 -1.660 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.183 -0.840 -1.997 1.00 0.00 H new ATOM 0 HG SER A 92 -11.928 -0.319 0.520 1.00 0.00 H new ATOM 1454 N ASP A 93 -16.286 -1.232 -0.427 1.00 0.00 N ATOM 1455 CA ASP A 93 -17.557 -1.885 -0.770 1.00 0.00 C ATOM 1456 C ASP A 93 -18.756 -0.917 -0.675 1.00 0.00 C ATOM 1457 O ASP A 93 -19.116 -0.455 0.414 1.00 0.00 O ATOM 1458 CB ASP A 93 -17.763 -3.100 0.150 1.00 0.00 C ATOM 1459 CG ASP A 93 -19.107 -3.791 -0.120 1.00 0.00 C ATOM 1460 OD1 ASP A 93 -19.354 -4.208 -1.274 1.00 0.00 O ATOM 1461 OD2 ASP A 93 -19.946 -3.911 0.803 1.00 0.00 O ATOM 0 H ASP A 93 -15.881 -1.601 0.433 1.00 0.00 H new ATOM 0 HA ASP A 93 -17.504 -2.212 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.951 -3.812 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -17.720 -2.780 1.191 1.00 0.00 H new ATOM 1466 N LYS A 94 -19.388 -0.615 -1.818 1.00 0.00 N ATOM 1467 CA LYS A 94 -20.545 0.295 -1.950 1.00 0.00 C ATOM 1468 C LYS A 94 -21.556 -0.199 -2.998 1.00 0.00 C ATOM 1469 O LYS A 94 -21.193 -0.924 -3.929 1.00 0.00 O ATOM 1470 CB LYS A 94 -20.067 1.706 -2.344 1.00 0.00 C ATOM 1471 CG LYS A 94 -19.106 2.369 -1.343 1.00 0.00 C ATOM 1472 CD LYS A 94 -18.709 3.760 -1.847 1.00 0.00 C ATOM 1473 CE LYS A 94 -17.532 4.316 -1.041 1.00 0.00 C ATOM 1474 NZ LYS A 94 -16.958 5.508 -1.707 1.00 0.00 N ATOM 0 H LYS A 94 -19.100 -1.011 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 94 -21.043 0.319 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -19.574 1.649 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -20.939 2.348 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -19.582 2.449 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -18.217 1.751 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -18.440 3.706 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -19.560 4.436 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -17.864 4.579 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.765 3.549 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.266 5.959 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.487 5.220 -2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.718 6.183 -1.926 1.00 0.00 H new ATOM 1488 N ARG A 95 -22.813 0.237 -2.854 1.00 0.00 N ATOM 1489 CA ARG A 95 -23.986 -0.023 -3.719 1.00 0.00 C ATOM 1490 C ARG A 95 -24.859 1.233 -3.846 1.00 0.00 C ATOM 1491 O ARG A 95 -25.110 1.900 -2.815 1.00 0.00 O ATOM 1492 CB ARG A 95 -24.806 -1.205 -3.162 1.00 0.00 C ATOM 1493 CG ARG A 95 -24.274 -2.566 -3.647 1.00 0.00 C ATOM 1494 CD ARG A 95 -24.789 -3.744 -2.803 1.00 0.00 C ATOM 1495 NE ARG A 95 -24.263 -3.715 -1.421 1.00 0.00 N ATOM 1496 CZ ARG A 95 -23.017 -3.916 -1.031 1.00 0.00 C ATOM 1497 NH1 ARG A 95 -22.081 -4.295 -1.850 1.00 0.00 N ATOM 1498 NH2 ARG A 95 -22.676 -3.726 0.206 1.00 0.00 N ATOM 1499 OXT ARG A 95 -25.274 1.551 -4.983 1.00 0.00 O ATOM 0 H ARG A 95 -23.064 0.832 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 95 -23.630 -0.286 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -24.786 -1.177 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -25.848 -1.096 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -24.566 -2.715 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -23.184 -2.555 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -25.878 -3.720 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -24.503 -4.682 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 95 -24.940 -3.517 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -22.297 -4.448 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -21.131 -4.439 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -23.372 -3.419 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -21.712 -3.883 0.499 1.00 0.00 H new TER 1513 ARG A 95 ATOM 1514 N SER B 99 -13.536 12.051 10.544 1.00 0.00 N ATOM 1515 CA SER B 99 -12.187 11.517 10.249 1.00 0.00 C ATOM 1516 C SER B 99 -12.259 10.369 9.249 1.00 0.00 C ATOM 1517 O SER B 99 -13.126 9.500 9.361 1.00 0.00 O ATOM 1518 CB SER B 99 -11.491 11.036 11.527 1.00 0.00 C ATOM 1519 OG SER B 99 -11.432 12.099 12.467 1.00 0.00 O ATOM 0 HA SER B 99 -11.606 12.331 9.815 1.00 0.00 H new ATOM 0 HB2 SER B 99 -12.033 10.191 11.952 1.00 0.00 H new ATOM 0 HB3 SER B 99 -10.485 10.686 11.295 1.00 0.00 H new ATOM 0 HG SER B 99 -12.187 12.707 12.321 1.00 0.00 H new ATOM 1527 N ASP B 100 -11.351 10.341 8.268 1.00 0.00 N ATOM 1528 CA ASP B 100 -11.260 9.266 7.264 1.00 0.00 C ATOM 1529 C ASP B 100 -10.900 7.914 7.920 1.00 0.00 C ATOM 1530 O ASP B 100 -10.101 7.871 8.858 1.00 0.00 O ATOM 1531 CB ASP B 100 -10.225 9.660 6.202 1.00 0.00 C ATOM 1532 CG ASP B 100 -10.102 8.573 5.128 1.00 0.00 C ATOM 1533 OD1 ASP B 100 -11.006 8.472 4.266 1.00 0.00 O ATOM 1534 OD2 ASP B 100 -9.126 7.793 5.184 1.00 0.00 O ATOM 0 H ASP B 100 -10.649 11.070 8.144 1.00 0.00 H new ATOM 0 HA ASP B 100 -12.232 9.138 6.788 1.00 0.00 H new ATOM 0 HB2 ASP B 100 -10.514 10.603 5.739 1.00 0.00 H new ATOM 0 HB3 ASP B 100 -9.256 9.821 6.675 1.00 0.00 H new ATOM 1539 N LEU B 101 -11.496 6.810 7.452 1.00 0.00 N ATOM 1540 CA LEU B 101 -11.290 5.471 8.019 1.00 0.00 C ATOM 1541 C LEU B 101 -9.909 4.867 7.715 1.00 0.00 C ATOM 1542 O LEU B 101 -9.320 4.230 8.591 1.00 0.00 O ATOM 1543 CB LEU B 101 -12.446 4.547 7.599 1.00 0.00 C ATOM 1544 CG LEU B 101 -12.375 3.139 8.223 1.00 0.00 C ATOM 1545 CD1 LEU B 101 -12.275 3.152 9.752 1.00 0.00 C ATOM 1546 CD2 LEU B 101 -13.627 2.346 7.856 1.00 0.00 C ATOM 0 H LEU B 101 -12.141 6.821 6.662 1.00 0.00 H new ATOM 0 HA LEU B 101 -11.298 5.574 9.104 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -13.391 5.012 7.880 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -12.448 4.453 6.513 1.00 0.00 H new ATOM 0 HG LEU B 101 -11.469 2.684 7.824 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -12.229 2.128 10.122 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -11.375 3.688 10.053 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -13.150 3.650 10.170 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -13.571 1.352 8.300 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -14.509 2.863 8.234 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -13.696 2.256 6.772 1.00 0.00 H new ATOM 1558 N ALA B 102 -9.359 5.049 6.513 1.00 0.00 N ATOM 1559 CA ALA B 102 -8.009 4.570 6.209 1.00 0.00 C ATOM 1560 C ALA B 102 -6.999 5.377 7.042 1.00 0.00 C ATOM 1561 O ALA B 102 -6.276 4.827 7.873 1.00 0.00 O ATOM 1562 CB ALA B 102 -7.723 4.672 4.708 1.00 0.00 C ATOM 0 H ALA B 102 -9.824 5.522 5.738 1.00 0.00 H new ATOM 0 HA ALA B 102 -7.919 3.517 6.474 1.00 0.00 H new ATOM 0 HB1 ALA B 102 -6.715 4.311 4.504 1.00 0.00 H new ATOM 0 HB2 ALA B 102 -8.443 4.066 4.158 1.00 0.00 H new ATOM 0 HB3 ALA B 102 -7.807 5.712 4.391 1.00 0.00 H new ATOM 1568 N CYS B 103 -6.992 6.699 6.862 1.00 0.00 N ATOM 1569 CA CYS B 103 -6.144 7.650 7.579 1.00 0.00 C ATOM 1570 C CYS B 103 -6.687 7.994 8.990 1.00 0.00 C ATOM 1571 O CYS B 103 -6.567 9.141 9.433 1.00 0.00 O ATOM 1572 CB CYS B 103 -5.988 8.908 6.701 1.00 0.00 C ATOM 1573 SG CYS B 103 -5.384 8.501 5.031 1.00 0.00 S ATOM 0 H CYS B 103 -7.603 7.154 6.184 1.00 0.00 H new ATOM 0 HA CYS B 103 -5.169 7.195 7.755 1.00 0.00 H new ATOM 0 HB2 CYS B 103 -6.948 9.419 6.625 1.00 0.00 H new ATOM 0 HB3 CYS B 103 -5.295 9.600 7.179 1.00 0.00 H new ATOM 0 HG CYS B 103 -5.272 9.592 4.332 1.00 0.00 H new ATOM 1579 N ARG B 104 -7.259 7.015 9.718 1.00 0.00 N ATOM 1580 CA ARG B 104 -7.806 7.179 11.088 1.00 0.00 C ATOM 1581 C ARG B 104 -6.771 7.787 12.040 1.00 0.00 C ATOM 1582 O ARG B 104 -7.057 8.748 12.753 1.00 0.00 O ATOM 1583 CB ARG B 104 -8.426 5.863 11.605 1.00 0.00 C ATOM 1584 CG ARG B 104 -7.414 4.768 11.995 1.00 0.00 C ATOM 1585 CD ARG B 104 -8.052 3.379 12.110 1.00 0.00 C ATOM 1586 NE ARG B 104 -8.249 2.794 10.774 1.00 0.00 N ATOM 1587 CZ ARG B 104 -7.952 1.580 10.355 1.00 0.00 C ATOM 1588 NH1 ARG B 104 -7.568 0.636 11.167 1.00 0.00 N ATOM 1589 NH2 ARG B 104 -8.039 1.313 9.087 1.00 0.00 N ATOM 0 H ARG B 104 -7.358 6.063 9.365 1.00 0.00 H new ATOM 0 HA ARG B 104 -8.623 7.899 11.046 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -9.045 6.089 12.473 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.088 5.466 10.836 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -6.617 4.736 11.252 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.952 5.030 12.947 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.416 2.728 12.709 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -9.009 3.453 12.627 1.00 0.00 H new ATOM 0 HE ARG B 104 -8.672 3.410 10.080 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.488 0.824 12.166 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -7.347 -0.291 10.803 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -8.333 2.038 8.432 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -7.813 0.379 8.746 1.00 0.00 H new ATOM 1603 N LEU B 105 -5.559 7.236 11.987 1.00 0.00 N ATOM 1604 CA LEU B 105 -4.337 7.647 12.671 1.00 0.00 C ATOM 1605 C LEU B 105 -3.161 7.315 11.745 1.00 0.00 C ATOM 1606 O LEU B 105 -2.961 6.153 11.386 1.00 0.00 O ATOM 1607 CB LEU B 105 -4.139 6.905 14.012 1.00 0.00 C ATOM 1608 CG LEU B 105 -5.202 7.154 15.097 1.00 0.00 C ATOM 1609 CD1 LEU B 105 -4.951 6.217 16.279 1.00 0.00 C ATOM 1610 CD2 LEU B 105 -5.157 8.592 15.621 1.00 0.00 C ATOM 0 H LEU B 105 -5.394 6.412 11.408 1.00 0.00 H new ATOM 0 HA LEU B 105 -4.400 8.712 12.894 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -4.104 5.835 13.808 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.166 7.185 14.417 1.00 0.00 H new ATOM 0 HG LEU B 105 -6.177 6.973 14.645 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -5.703 6.392 17.048 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -5.011 5.182 15.942 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.960 6.408 16.690 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -5.923 8.725 16.385 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -4.176 8.792 16.052 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -5.340 9.285 14.799 1.00 0.00 H new ATOM 1622 N LEU B 106 -2.374 8.326 11.381 1.00 0.00 N ATOM 1623 CA LEU B 106 -1.151 8.182 10.578 1.00 0.00 C ATOM 1624 C LEU B 106 0.091 8.701 11.320 1.00 0.00 C ATOM 1625 O LEU B 106 1.210 8.476 10.868 1.00 0.00 O ATOM 1626 CB LEU B 106 -1.342 8.796 9.178 1.00 0.00 C ATOM 1627 CG LEU B 106 -1.903 7.804 8.138 1.00 0.00 C ATOM 1628 CD1 LEU B 106 -2.113 8.555 6.828 1.00 0.00 C ATOM 1629 CD2 LEU B 106 -0.928 6.653 7.856 1.00 0.00 C ATOM 0 H LEU B 106 -2.570 9.293 11.640 1.00 0.00 H new ATOM 0 HA LEU B 106 -0.963 7.119 10.425 1.00 0.00 H new ATOM 0 HB2 LEU B 106 -2.016 9.649 9.254 1.00 0.00 H new ATOM 0 HB3 LEU B 106 -0.384 9.177 8.824 1.00 0.00 H new ATOM 0 HG LEU B 106 -2.830 7.389 8.535 1.00 0.00 H new ATOM 0 HD11 LEU B 106 -2.510 7.872 6.077 1.00 0.00 H new ATOM 0 HD12 LEU B 106 -2.818 9.371 6.985 1.00 0.00 H new ATOM 0 HD13 LEU B 106 -1.161 8.960 6.484 1.00 0.00 H new ATOM 0 HD21 LEU B 106 -1.364 5.979 7.118 1.00 0.00 H new ATOM 0 HD22 LEU B 106 0.009 7.056 7.471 1.00 0.00 H new ATOM 0 HD23 LEU B 106 -0.735 6.105 8.778 1.00 0.00 H new ATOM 1641 N GLY B 107 -0.092 9.309 12.500 1.00 0.00 N ATOM 1642 CA GLY B 107 0.981 9.736 13.405 1.00 0.00 C ATOM 1643 C GLY B 107 1.577 8.575 14.218 1.00 0.00 C ATOM 1644 O GLY B 107 2.537 8.788 14.959 1.00 0.00 O ATOM 0 H GLY B 107 -1.021 9.524 12.861 1.00 0.00 H new ATOM 0 HA2 GLY B 107 1.772 10.210 12.824 1.00 0.00 H new ATOM 0 HA3 GLY B 107 0.593 10.490 14.089 1.00 0.00 H new ATOM 1648 N GLN B 108 1.017 7.361 14.068 1.00 0.00 N ATOM 1649 CA GLN B 108 1.370 6.080 14.705 1.00 0.00 C ATOM 1650 C GLN B 108 2.863 5.925 15.027 1.00 0.00 C ATOM 1651 O GLN B 108 3.216 5.594 16.163 1.00 0.00 O ATOM 1652 CB GLN B 108 0.883 4.912 13.821 1.00 0.00 C ATOM 1653 CG GLN B 108 -0.652 4.832 13.734 1.00 0.00 C ATOM 1654 CD GLN B 108 -1.142 3.621 12.936 1.00 0.00 C ATOM 1655 OE1 GLN B 108 -0.780 3.400 11.789 1.00 0.00 O ATOM 1656 NE2 GLN B 108 -1.998 2.793 13.504 1.00 0.00 N ATOM 0 H GLN B 108 0.227 7.241 13.434 1.00 0.00 H new ATOM 0 HA GLN B 108 0.863 6.066 15.670 1.00 0.00 H new ATOM 0 HB2 GLN B 108 1.294 5.025 12.818 1.00 0.00 H new ATOM 0 HB3 GLN B 108 1.269 3.974 14.220 1.00 0.00 H new ATOM 0 HG2 GLN B 108 -1.066 4.788 14.741 1.00 0.00 H new ATOM 0 HG3 GLN B 108 -1.033 5.743 13.272 1.00 0.00 H new ATOM 0 HE21 GLN B 108 -2.312 2.960 14.460 1.00 0.00 H new ATOM 0 HE22 GLN B 108 -2.346 1.985 12.987 1.00 0.00 H new ATOM 1665 N SER B 109 3.729 6.147 14.034 1.00 0.00 N ATOM 1666 CA SER B 109 5.192 6.056 14.162 1.00 0.00 C ATOM 1667 C SER B 109 5.929 7.324 13.702 1.00 0.00 C ATOM 1668 O SER B 109 7.151 7.403 13.834 1.00 0.00 O ATOM 1669 CB SER B 109 5.703 4.815 13.429 1.00 0.00 C ATOM 1670 OG SER B 109 4.961 3.671 13.828 1.00 0.00 O ATOM 0 H SER B 109 3.427 6.402 13.093 1.00 0.00 H new ATOM 0 HA SER B 109 5.414 5.964 15.225 1.00 0.00 H new ATOM 0 HB2 SER B 109 5.615 4.957 12.352 1.00 0.00 H new ATOM 0 HB3 SER B 109 6.761 4.665 13.645 1.00 0.00 H new ATOM 0 HG SER B 109 4.519 3.279 13.046 1.00 0.00 H new ATOM 1676 N MET B 110 5.208 8.348 13.225 1.00 0.00 N ATOM 1677 CA MET B 110 5.751 9.662 12.827 1.00 0.00 C ATOM 1678 C MET B 110 6.420 10.373 14.009 1.00 0.00 C ATOM 1679 O MET B 110 7.445 11.033 13.837 1.00 0.00 O ATOM 1680 CB MET B 110 4.658 10.562 12.234 1.00 0.00 C ATOM 1681 CG MET B 110 4.006 9.962 10.986 1.00 0.00 C ATOM 1682 SD MET B 110 5.097 9.789 9.553 1.00 0.00 S ATOM 1683 CE MET B 110 3.961 8.912 8.446 1.00 0.00 C ATOM 0 H MET B 110 4.198 8.286 13.100 1.00 0.00 H new ATOM 0 HA MET B 110 6.504 9.475 12.061 1.00 0.00 H new ATOM 0 HB2 MET B 110 3.892 10.740 12.988 1.00 0.00 H new ATOM 0 HB3 MET B 110 5.089 11.531 11.983 1.00 0.00 H new ATOM 0 HG2 MET B 110 3.608 8.979 11.240 1.00 0.00 H new ATOM 0 HG3 MET B 110 3.158 10.586 10.703 1.00 0.00 H new ATOM 0 HE1 MET B 110 4.308 7.889 8.305 1.00 0.00 H new ATOM 0 HE2 MET B 110 2.963 8.899 8.884 1.00 0.00 H new ATOM 0 HE3 MET B 110 3.927 9.420 7.482 1.00 0.00 H new ATOM 1693 N ASP B 111 5.850 10.219 15.209 1.00 0.00 N ATOM 1694 CA ASP B 111 6.388 10.758 16.464 1.00 0.00 C ATOM 1695 C ASP B 111 7.833 10.271 16.713 1.00 0.00 C ATOM 1696 O ASP B 111 8.702 11.043 17.122 1.00 0.00 O ATOM 1697 CB ASP B 111 5.462 10.359 17.621 1.00 0.00 C ATOM 1698 CG ASP B 111 5.970 10.896 18.970 1.00 0.00 C ATOM 1699 OD1 ASP B 111 5.862 12.123 19.212 1.00 0.00 O ATOM 1700 OD2 ASP B 111 6.463 10.094 19.799 1.00 0.00 O ATOM 0 H ASP B 111 4.980 9.703 15.338 1.00 0.00 H new ATOM 0 HA ASP B 111 6.428 11.845 16.395 1.00 0.00 H new ATOM 0 HB2 ASP B 111 4.459 10.741 17.432 1.00 0.00 H new ATOM 0 HB3 ASP B 111 5.386 9.273 17.668 1.00 0.00 H new ATOM 1705 N GLU B 112 8.092 8.988 16.438 1.00 0.00 N ATOM 1706 CA GLU B 112 9.401 8.335 16.549 1.00 0.00 C ATOM 1707 C GLU B 112 10.342 8.746 15.404 1.00 0.00 C ATOM 1708 O GLU B 112 11.452 9.230 15.643 1.00 0.00 O ATOM 1709 CB GLU B 112 9.233 6.804 16.590 1.00 0.00 C ATOM 1710 CG GLU B 112 8.472 6.338 17.839 1.00 0.00 C ATOM 1711 CD GLU B 112 8.353 4.806 17.870 1.00 0.00 C ATOM 1712 OE1 GLU B 112 9.285 4.129 18.370 1.00 0.00 O ATOM 1713 OE2 GLU B 112 7.317 4.273 17.405 1.00 0.00 O ATOM 0 H GLU B 112 7.364 8.349 16.118 1.00 0.00 H new ATOM 0 HA GLU B 112 9.859 8.666 17.481 1.00 0.00 H new ATOM 0 HB2 GLU B 112 8.700 6.475 15.698 1.00 0.00 H new ATOM 0 HB3 GLU B 112 10.215 6.332 16.568 1.00 0.00 H new ATOM 0 HG2 GLU B 112 8.988 6.685 18.734 1.00 0.00 H new ATOM 0 HG3 GLU B 112 7.478 6.784 17.851 1.00 0.00 H new ATOM 1720 N SER B 113 9.904 8.535 14.160 1.00 0.00 N ATOM 1721 CA SER B 113 10.652 8.831 12.925 1.00 0.00 C ATOM 1722 C SER B 113 9.739 8.959 11.700 1.00 0.00 C ATOM 1723 O SER B 113 9.832 9.930 10.943 1.00 0.00 O ATOM 1724 CB SER B 113 11.716 7.750 12.670 1.00 0.00 C ATOM 1725 OG SER B 113 11.162 6.438 12.698 1.00 0.00 O ATOM 0 H SER B 113 8.983 8.138 13.973 1.00 0.00 H new ATOM 0 HA SER B 113 11.136 9.796 13.074 1.00 0.00 H new ATOM 0 HB2 SER B 113 12.185 7.925 11.702 1.00 0.00 H new ATOM 0 HB3 SER B 113 12.500 7.828 13.423 1.00 0.00 H new ATOM 0 HG SER B 113 11.869 5.781 12.530 1.00 0.00 H new ATOM 1731 N GLY B 114 8.870 7.969 11.491 1.00 0.00 N ATOM 1732 CA GLY B 114 7.925 7.859 10.382 1.00 0.00 C ATOM 1733 C GLY B 114 8.145 6.570 9.602 1.00 0.00 C ATOM 1734 O GLY B 114 7.594 5.530 9.966 1.00 0.00 O ATOM 0 H GLY B 114 8.804 7.176 12.130 1.00 0.00 H new ATOM 0 HA2 GLY B 114 6.905 7.887 10.765 1.00 0.00 H new ATOM 0 HA3 GLY B 114 8.039 8.715 9.716 1.00 0.00 H new ATOM 1738 N LEU B 115 8.943 6.634 8.533 1.00 0.00 N ATOM 1739 CA LEU B 115 9.245 5.482 7.678 1.00 0.00 C ATOM 1740 C LEU B 115 10.334 4.568 8.290 1.00 0.00 C ATOM 1741 O LEU B 115 11.440 5.043 8.565 1.00 0.00 O ATOM 1742 CB LEU B 115 9.681 5.953 6.279 1.00 0.00 C ATOM 1743 CG LEU B 115 8.595 6.682 5.470 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.147 6.993 4.081 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.323 5.852 5.294 1.00 0.00 C ATOM 0 H LEU B 115 9.402 7.494 8.234 1.00 0.00 H new ATOM 0 HA LEU B 115 8.330 4.895 7.596 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.539 6.616 6.387 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.017 5.087 5.709 1.00 0.00 H new ATOM 0 HG LEU B 115 8.333 7.584 6.023 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.387 7.510 3.495 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.029 7.627 4.173 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.420 6.063 3.581 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.595 6.420 4.715 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.562 4.927 4.769 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.904 5.616 6.272 1.00 0.00 H new ATOM 1757 N PRO B 116 10.051 3.265 8.489 1.00 0.00 N ATOM 1758 CA PRO B 116 11.002 2.288 9.030 1.00 0.00 C ATOM 1759 C PRO B 116 11.909 1.692 7.935 1.00 0.00 C ATOM 1760 O PRO B 116 11.906 2.133 6.785 1.00 0.00 O ATOM 1761 CB PRO B 116 10.084 1.206 9.614 1.00 0.00 C ATOM 1762 CG PRO B 116 8.960 1.145 8.578 1.00 0.00 C ATOM 1763 CD PRO B 116 8.773 2.612 8.213 1.00 0.00 C ATOM 0 HA PRO B 116 11.685 2.730 9.755 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.596 0.249 9.717 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.713 1.477 10.603 1.00 0.00 H new ATOM 0 HG2 PRO B 116 9.237 0.543 7.713 1.00 0.00 H new ATOM 0 HG3 PRO B 116 8.050 0.710 8.991 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.499 2.720 7.164 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.972 3.060 8.800 1.00 0.00 H new ATOM 1771 N GLN B 117 12.623 0.618 8.280 1.00 0.00 N ATOM 1772 CA GLN B 117 13.412 -0.218 7.368 1.00 0.00 C ATOM 1773 C GLN B 117 12.936 -1.671 7.497 1.00 0.00 C ATOM 1774 O GLN B 117 13.678 -2.581 7.877 1.00 0.00 O ATOM 1775 CB GLN B 117 14.922 -0.029 7.597 1.00 0.00 C ATOM 1776 CG GLN B 117 15.419 1.246 6.910 1.00 0.00 C ATOM 1777 CD GLN B 117 16.898 1.503 7.193 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.270 2.252 8.088 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.801 0.898 6.448 1.00 0.00 N ATOM 0 H GLN B 117 12.670 0.292 9.245 1.00 0.00 H new ATOM 0 HA GLN B 117 13.251 0.090 6.335 1.00 0.00 H new ATOM 0 HB2 GLN B 117 15.129 0.024 8.666 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.464 -0.892 7.210 1.00 0.00 H new ATOM 0 HG2 GLN B 117 15.264 1.163 5.834 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.830 2.097 7.253 1.00 0.00 H new ATOM 0 HE21 GLN B 117 17.507 0.271 5.699 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.794 1.056 6.621 1.00 0.00 H new ATOM 1788 N LEU B 118 11.661 -1.872 7.148 1.00 0.00 N ATOM 1789 CA LEU B 118 11.021 -3.186 7.092 1.00 0.00 C ATOM 1790 C LEU B 118 11.544 -3.961 5.870 1.00 0.00 C ATOM 1791 O LEU B 118 12.201 -3.414 4.979 1.00 0.00 O ATOM 1792 CB LEU B 118 9.489 -3.025 7.018 1.00 0.00 C ATOM 1793 CG LEU B 118 8.828 -2.510 8.307 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.376 -2.141 8.010 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.837 -3.549 9.428 1.00 0.00 C ATOM 0 H LEU B 118 11.034 -1.109 6.892 1.00 0.00 H new ATOM 0 HA LEU B 118 11.263 -3.747 7.995 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.249 -2.339 6.205 1.00 0.00 H new ATOM 0 HB3 LEU B 118 9.049 -3.989 6.762 1.00 0.00 H new ATOM 0 HG LEU B 118 9.403 -1.647 8.641 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.900 -1.775 8.920 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.347 -1.363 7.247 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.843 -3.021 7.651 1.00 0.00 H new ATOM 0 HD21 LEU B 118 8.358 -3.132 10.314 1.00 0.00 H new ATOM 0 HD22 LEU B 118 8.293 -4.437 9.105 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.866 -3.820 9.665 1.00 0.00 H new ATOM 1807 N THR B 119 11.239 -5.252 5.836 1.00 0.00 N ATOM 1808 CA THR B 119 11.611 -6.187 4.769 1.00 0.00 C ATOM 1809 C THR B 119 10.434 -7.115 4.470 1.00 0.00 C ATOM 1810 O THR B 119 9.447 -7.137 5.215 1.00 0.00 O ATOM 1811 CB THR B 119 12.855 -7.004 5.169 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.600 -7.747 6.345 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.086 -6.118 5.404 1.00 0.00 C ATOM 0 H THR B 119 10.703 -5.700 6.580 1.00 0.00 H new ATOM 0 HA THR B 119 11.857 -5.620 3.871 1.00 0.00 H new ATOM 0 HB THR B 119 13.068 -7.673 4.335 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.398 -8.262 6.586 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.935 -6.742 5.683 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.321 -5.572 4.490 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.877 -5.410 6.206 1.00 0.00 H new ATOM 1821 N SER B 120 10.524 -7.903 3.394 1.00 0.00 N ATOM 1822 CA SER B 120 9.498 -8.901 3.056 1.00 0.00 C ATOM 1823 C SER B 120 9.322 -9.882 4.219 1.00 0.00 C ATOM 1824 O SER B 120 8.196 -10.117 4.644 1.00 0.00 O ATOM 1825 CB SER B 120 9.816 -9.647 1.759 1.00 0.00 C ATOM 1826 OG SER B 120 11.148 -10.147 1.774 1.00 0.00 O ATOM 0 H SER B 120 11.303 -7.870 2.736 1.00 0.00 H new ATOM 0 HA SER B 120 8.562 -8.369 2.889 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.115 -10.472 1.628 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.684 -8.978 0.908 1.00 0.00 H new ATOM 0 HG SER B 120 11.551 -10.032 0.888 1.00 0.00 H new ATOM 1832 N TYR B 121 10.428 -10.399 4.771 1.00 0.00 N ATOM 1833 CA TYR B 121 10.452 -11.285 5.940 1.00 0.00 C ATOM 1834 C TYR B 121 9.666 -10.695 7.123 1.00 0.00 C ATOM 1835 O TYR B 121 8.735 -11.332 7.613 1.00 0.00 O ATOM 1836 CB TYR B 121 11.901 -11.601 6.338 1.00 0.00 C ATOM 1837 CG TYR B 121 12.006 -12.549 7.522 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.001 -12.044 8.838 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.060 -13.941 7.307 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.027 -12.924 9.938 1.00 0.00 C ATOM 1841 CE2 TYR B 121 12.108 -14.823 8.403 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.088 -14.319 9.722 1.00 0.00 C ATOM 1843 OH TYR B 121 12.117 -15.182 10.775 1.00 0.00 O ATOM 0 H TYR B 121 11.360 -10.205 4.404 1.00 0.00 H new ATOM 0 HA TYR B 121 9.956 -12.216 5.664 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.418 -12.039 5.484 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.415 -10.671 6.579 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.977 -10.977 9.004 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.065 -14.331 6.300 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.000 -12.533 10.944 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.160 -15.889 8.235 1.00 0.00 H new ATOM 0 HH TYR B 121 12.157 -16.103 10.442 1.00 0.00 H new ATOM 1853 N ASP B 122 10.015 -9.484 7.578 1.00 0.00 N ATOM 1854 CA ASP B 122 9.333 -8.798 8.688 1.00 0.00 C ATOM 1855 C ASP B 122 7.819 -8.688 8.444 1.00 0.00 C ATOM 1856 O ASP B 122 7.020 -9.037 9.317 1.00 0.00 O ATOM 1857 CB ASP B 122 9.942 -7.402 8.925 1.00 0.00 C ATOM 1858 CG ASP B 122 11.135 -7.386 9.898 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.835 -8.412 10.068 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.357 -6.327 10.532 1.00 0.00 O ATOM 0 H ASP B 122 10.786 -8.946 7.183 1.00 0.00 H new ATOM 0 HA ASP B 122 9.482 -9.401 9.583 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.264 -6.992 7.968 1.00 0.00 H new ATOM 0 HB3 ASP B 122 9.166 -6.741 9.310 1.00 0.00 H new ATOM 1865 N CYS B 123 7.425 -8.220 7.258 1.00 0.00 N ATOM 1866 CA CYS B 123 6.028 -8.071 6.852 1.00 0.00 C ATOM 1867 C CYS B 123 5.284 -9.421 6.828 1.00 0.00 C ATOM 1868 O CYS B 123 4.215 -9.532 7.427 1.00 0.00 O ATOM 1869 CB CYS B 123 5.962 -7.324 5.517 1.00 0.00 C ATOM 1870 SG CYS B 123 6.612 -5.643 5.719 1.00 0.00 S ATOM 0 H CYS B 123 8.085 -7.928 6.537 1.00 0.00 H new ATOM 0 HA CYS B 123 5.503 -7.473 7.597 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.539 -7.858 4.762 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.932 -7.285 5.162 1.00 0.00 H new ATOM 0 HG CYS B 123 7.904 -5.657 5.575 1.00 0.00 H new ATOM 1876 N GLU B 124 5.850 -10.450 6.188 1.00 0.00 N ATOM 1877 CA GLU B 124 5.313 -11.822 6.143 1.00 0.00 C ATOM 1878 C GLU B 124 5.076 -12.374 7.557 1.00 0.00 C ATOM 1879 O GLU B 124 4.005 -12.895 7.852 1.00 0.00 O ATOM 1880 CB GLU B 124 6.284 -12.773 5.423 1.00 0.00 C ATOM 1881 CG GLU B 124 6.329 -12.670 3.895 1.00 0.00 C ATOM 1882 CD GLU B 124 7.488 -13.519 3.334 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.644 -14.695 3.748 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.255 -13.018 2.477 1.00 0.00 O ATOM 0 H GLU B 124 6.723 -10.352 5.669 1.00 0.00 H new ATOM 0 HA GLU B 124 4.369 -11.769 5.601 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.288 -12.592 5.808 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.020 -13.797 5.689 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.383 -13.010 3.473 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.455 -11.629 3.598 1.00 0.00 H new ATOM 1891 N VAL B 125 6.080 -12.269 8.432 1.00 0.00 N ATOM 1892 CA VAL B 125 6.061 -12.718 9.833 1.00 0.00 C ATOM 1893 C VAL B 125 4.948 -12.044 10.641 1.00 0.00 C ATOM 1894 O VAL B 125 4.192 -12.718 11.344 1.00 0.00 O ATOM 1895 CB VAL B 125 7.455 -12.482 10.457 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.488 -12.417 11.989 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.399 -13.601 10.004 1.00 0.00 C ATOM 0 H VAL B 125 6.973 -11.849 8.173 1.00 0.00 H new ATOM 0 HA VAL B 125 5.837 -13.785 9.858 1.00 0.00 H new ATOM 0 HB VAL B 125 7.765 -11.498 10.106 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.511 -12.249 12.324 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.855 -11.599 12.332 1.00 0.00 H new ATOM 0 HG13 VAL B 125 7.121 -13.357 12.401 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.386 -13.443 10.439 1.00 0.00 H new ATOM 0 HG22 VAL B 125 8.007 -14.563 10.333 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.477 -13.594 8.917 1.00 0.00 H new ATOM 1907 N ASN B 126 4.858 -10.714 10.577 1.00 0.00 N ATOM 1908 CA ASN B 126 3.886 -9.918 11.330 1.00 0.00 C ATOM 1909 C ASN B 126 2.450 -10.015 10.791 1.00 0.00 C ATOM 1910 O ASN B 126 1.514 -10.074 11.593 1.00 0.00 O ATOM 1911 CB ASN B 126 4.394 -8.473 11.419 1.00 0.00 C ATOM 1912 CG ASN B 126 5.496 -8.345 12.454 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.255 -8.042 13.609 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.727 -8.631 12.109 1.00 0.00 N ATOM 0 H ASN B 126 5.471 -10.149 9.989 1.00 0.00 H new ATOM 0 HA ASN B 126 3.811 -10.335 12.334 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.766 -8.154 10.445 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.569 -7.809 11.678 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.472 -8.599 12.805 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.940 -8.886 11.145 1.00 0.00 H new ATOM 1921 N ALA B 127 2.263 -10.029 9.469 1.00 0.00 N ATOM 1922 CA ALA B 127 0.966 -10.115 8.796 1.00 0.00 C ATOM 1923 C ALA B 127 1.018 -11.081 7.583 1.00 0.00 C ATOM 1924 O ALA B 127 1.101 -10.631 6.433 1.00 0.00 O ATOM 1925 CB ALA B 127 0.535 -8.687 8.423 1.00 0.00 C ATOM 0 H ALA B 127 3.042 -9.979 8.813 1.00 0.00 H new ATOM 0 HA ALA B 127 0.215 -10.544 9.459 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.431 -8.718 7.919 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.453 -8.084 9.327 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.277 -8.245 7.758 1.00 0.00 H new ATOM 1931 N PRO B 128 0.955 -12.411 7.807 1.00 0.00 N ATOM 1932 CA PRO B 128 0.998 -13.417 6.741 1.00 0.00 C ATOM 1933 C PRO B 128 -0.191 -13.350 5.772 1.00 0.00 C ATOM 1934 O PRO B 128 -1.340 -13.167 6.182 1.00 0.00 O ATOM 1935 CB PRO B 128 1.004 -14.787 7.442 1.00 0.00 C ATOM 1936 CG PRO B 128 1.338 -14.496 8.902 1.00 0.00 C ATOM 1937 CD PRO B 128 0.860 -13.061 9.108 1.00 0.00 C ATOM 0 HA PRO B 128 1.883 -13.239 6.131 1.00 0.00 H new ATOM 0 HB2 PRO B 128 0.035 -15.278 7.351 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.742 -15.453 6.996 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.829 -15.187 9.574 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.406 -14.593 9.095 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.165 -13.041 9.479 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.476 -12.547 9.846 1.00 0.00 H new ATOM 1945 N ILE B 129 0.089 -13.572 4.485 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.913 -13.695 3.411 1.00 0.00 C ATOM 1947 C ILE B 129 -1.768 -14.951 3.705 1.00 0.00 C ATOM 1948 O ILE B 129 -1.229 -15.959 4.171 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.189 -13.793 2.042 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.666 -12.540 1.728 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.190 -13.979 0.889 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.853 -12.833 0.798 1.00 0.00 C ATOM 0 H ILE B 129 1.046 -13.675 4.147 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.567 -12.824 3.371 1.00 0.00 H new ATOM 0 HB ILE B 129 0.465 -14.661 2.123 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.032 -11.782 1.269 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.040 -12.120 2.662 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.649 -14.044 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.759 -14.896 1.045 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.872 -13.129 0.859 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.410 -11.914 0.618 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.508 -13.569 1.265 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.484 -13.225 -0.150 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.089 -14.912 3.465 1.00 0.00 N ATOM 1965 CA GLN B 130 -3.986 -16.056 3.723 1.00 0.00 C ATOM 1966 C GLN B 130 -3.563 -17.326 2.961 1.00 0.00 C ATOM 1967 O GLN B 130 -3.391 -18.392 3.559 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.453 -15.721 3.407 1.00 0.00 C ATOM 1969 CG GLN B 130 -6.078 -14.717 4.386 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.605 -14.807 4.371 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -8.248 -15.120 5.364 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -8.249 -14.551 3.253 1.00 0.00 N ATOM 0 H GLN B 130 -3.565 -14.092 3.089 1.00 0.00 H new ATOM 0 HA GLN B 130 -3.898 -16.261 4.790 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.515 -15.317 2.396 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.038 -16.641 3.420 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.710 -14.910 5.394 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -5.768 -13.706 4.122 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.731 -14.288 2.415 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -9.267 -14.615 3.224 1.00 0.00 H new ATOM 1981 N GLY B 131 -3.394 -17.204 1.642 1.00 0.00 N ATOM 1982 CA GLY B 131 -2.927 -18.275 0.755 1.00 0.00 C ATOM 1983 C GLY B 131 -1.396 -18.402 0.768 1.00 0.00 C ATOM 1984 O GLY B 131 -0.714 -17.831 1.624 1.00 0.00 O ATOM 0 H GLY B 131 -3.583 -16.333 1.146 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -3.372 -19.221 1.062 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -3.266 -18.078 -0.262 1.00 0.00 H new ATOM 1988 N SER B 132 -0.834 -19.144 -0.190 1.00 0.00 N ATOM 1989 CA SER B 132 0.621 -19.332 -0.334 1.00 0.00 C ATOM 1990 C SER B 132 1.337 -17.978 -0.456 1.00 0.00 C ATOM 1991 O SER B 132 0.935 -17.140 -1.272 1.00 0.00 O ATOM 1992 CB SER B 132 0.931 -20.183 -1.572 1.00 0.00 C ATOM 1993 OG SER B 132 0.252 -21.430 -1.506 1.00 0.00 O ATOM 0 H SER B 132 -1.378 -19.638 -0.897 1.00 0.00 H new ATOM 0 HA SER B 132 0.981 -19.845 0.558 1.00 0.00 H new ATOM 0 HB2 SER B 132 0.631 -19.647 -2.473 1.00 0.00 H new ATOM 0 HB3 SER B 132 2.005 -20.351 -1.644 1.00 0.00 H new ATOM 0 HG SER B 132 0.460 -21.959 -2.305 1.00 0.00 H new ATOM 1999 N ARG B 133 2.384 -17.741 0.352 1.00 0.00 N ATOM 2000 CA ARG B 133 3.137 -16.472 0.358 1.00 0.00 C ATOM 2001 C ARG B 133 3.704 -16.159 -1.030 1.00 0.00 C ATOM 2002 O ARG B 133 4.507 -16.924 -1.570 1.00 0.00 O ATOM 2003 CB ARG B 133 4.268 -16.476 1.399 1.00 0.00 C ATOM 2004 CG ARG B 133 3.804 -16.684 2.848 1.00 0.00 C ATOM 2005 CD ARG B 133 4.987 -16.379 3.771 1.00 0.00 C ATOM 2006 NE ARG B 133 4.760 -16.793 5.165 1.00 0.00 N ATOM 2007 CZ ARG B 133 5.676 -16.793 6.120 1.00 0.00 C ATOM 2008 NH1 ARG B 133 6.878 -16.323 5.935 1.00 0.00 N ATOM 2009 NH2 ARG B 133 5.398 -17.279 7.295 1.00 0.00 N ATOM 0 H ARG B 133 2.734 -18.425 1.022 1.00 0.00 H new ATOM 0 HA ARG B 133 2.430 -15.690 0.635 1.00 0.00 H new ATOM 0 HB2 ARG B 133 4.977 -17.263 1.142 1.00 0.00 H new ATOM 0 HB3 ARG B 133 4.805 -15.530 1.336 1.00 0.00 H new ATOM 0 HG2 ARG B 133 2.963 -16.029 3.077 1.00 0.00 H new ATOM 0 HG3 ARG B 133 3.460 -17.708 2.995 1.00 0.00 H new ATOM 0 HD2 ARG B 133 5.875 -16.883 3.390 1.00 0.00 H new ATOM 0 HD3 ARG B 133 5.192 -15.309 3.746 1.00 0.00 H new ATOM 0 HE ARG B 133 3.822 -17.105 5.415 1.00 0.00 H new ATOM 0 HH11 ARG B 133 7.141 -15.937 5.028 1.00 0.00 H new ATOM 0 HH12 ARG B 133 7.556 -16.341 6.697 1.00 0.00 H new ATOM 0 HH21 ARG B 133 4.471 -17.662 7.482 1.00 0.00 H new ATOM 0 HH22 ARG B 133 6.107 -17.277 8.028 1.00 0.00 H new ATOM 2023 N ASN B 134 3.268 -15.042 -1.606 1.00 0.00 N ATOM 2024 CA ASN B 134 3.641 -14.573 -2.933 1.00 0.00 C ATOM 2025 C ASN B 134 3.544 -13.051 -2.988 1.00 0.00 C ATOM 2026 O ASN B 134 2.512 -12.480 -2.640 1.00 0.00 O ATOM 2027 CB ASN B 134 2.659 -15.178 -3.940 1.00 0.00 C ATOM 2028 CG ASN B 134 2.894 -14.660 -5.351 1.00 0.00 C ATOM 2029 OD1 ASN B 134 3.874 -14.993 -6.002 1.00 0.00 O ATOM 2030 ND2 ASN B 134 2.023 -13.819 -5.862 1.00 0.00 N ATOM 0 H ASN B 134 2.616 -14.413 -1.138 1.00 0.00 H new ATOM 0 HA ASN B 134 4.664 -14.871 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN B 134 2.755 -16.264 -3.932 1.00 0.00 H new ATOM 0 HB3 ASN B 134 1.639 -14.946 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN B 134 2.165 -13.445 -6.800 1.00 0.00 H new ATOM 0 HD22 ASN B 134 1.205 -13.540 -5.320 1.00 0.00 H new ATOM 2037 N LEU B 135 4.611 -12.409 -3.453 1.00 0.00 N ATOM 2038 CA LEU B 135 4.665 -10.965 -3.618 1.00 0.00 C ATOM 2039 C LEU B 135 3.996 -10.547 -4.935 1.00 0.00 C ATOM 2040 O LEU B 135 4.454 -10.910 -6.021 1.00 0.00 O ATOM 2041 CB LEU B 135 6.128 -10.502 -3.551 1.00 0.00 C ATOM 2042 CG LEU B 135 6.837 -10.824 -2.223 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.241 -10.223 -2.281 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.137 -10.233 -0.996 1.00 0.00 C ATOM 0 H LEU B 135 5.471 -12.884 -3.728 1.00 0.00 H new ATOM 0 HA LEU B 135 4.113 -10.483 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.681 -10.968 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.163 -9.425 -3.716 1.00 0.00 H new ATOM 0 HG LEU B 135 6.836 -11.909 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU B 135 8.767 -10.437 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.789 -10.659 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.170 -9.144 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU B 135 6.692 -10.500 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.096 -9.148 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.124 -10.630 -0.929 1.00 0.00 H new ATOM 2056 N LEU B 136 2.913 -9.781 -4.821 1.00 0.00 N ATOM 2057 CA LEU B 136 2.113 -9.175 -5.896 1.00 0.00 C ATOM 2058 C LEU B 136 3.024 -8.293 -6.796 1.00 0.00 C ATOM 2059 O LEU B 136 3.876 -7.570 -6.280 1.00 0.00 O ATOM 2060 CB LEU B 136 0.992 -8.390 -5.172 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.308 -8.054 -5.912 1.00 0.00 C ATOM 2062 CD1 LEU B 136 -0.100 -7.260 -7.182 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.147 -9.275 -6.276 1.00 0.00 C ATOM 0 H LEU B 136 2.538 -9.546 -3.902 1.00 0.00 H new ATOM 0 HA LEU B 136 1.668 -9.901 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.721 -8.958 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.423 -7.449 -4.831 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.842 -7.447 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -1.065 -7.061 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.390 -6.316 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.525 -7.830 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.049 -8.954 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.569 -9.934 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.423 -9.811 -5.368 1.00 0.00 H new ATOM 2075 N GLN B 137 2.889 -8.364 -8.130 1.00 0.00 N ATOM 2076 CA GLN B 137 3.753 -7.661 -9.107 1.00 0.00 C ATOM 2077 C GLN B 137 3.002 -6.800 -10.146 1.00 0.00 C ATOM 2078 O GLN B 137 1.820 -7.012 -10.422 1.00 0.00 O ATOM 2079 CB GLN B 137 4.584 -8.695 -9.898 1.00 0.00 C ATOM 2080 CG GLN B 137 5.400 -9.711 -9.087 1.00 0.00 C ATOM 2081 CD GLN B 137 6.519 -9.106 -8.241 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.139 -8.103 -8.570 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.819 -9.694 -7.105 1.00 0.00 N ATOM 0 H GLN B 137 2.161 -8.923 -8.575 1.00 0.00 H new ATOM 0 HA GLN B 137 4.363 -6.988 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN B 137 3.905 -9.249 -10.547 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.271 -8.151 -10.546 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.723 -10.258 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.835 -10.437 -9.774 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.313 -10.531 -6.815 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.558 -9.314 -6.513 1.00 0.00 H new ATOM 2092 N GLY B 138 3.738 -5.880 -10.783 1.00 0.00 N ATOM 2093 CA GLY B 138 3.335 -5.013 -11.902 1.00 0.00 C ATOM 2094 C GLY B 138 1.952 -4.364 -11.833 1.00 0.00 C ATOM 2095 O GLY B 138 1.564 -3.819 -10.806 1.00 0.00 O ATOM 0 H GLY B 138 4.705 -5.708 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.075 -4.218 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.384 -5.602 -12.818 1.00 0.00 H new ATOM 2099 N GLU B 139 1.222 -4.364 -12.952 1.00 0.00 N ATOM 2100 CA GLU B 139 -0.096 -3.718 -13.100 1.00 0.00 C ATOM 2101 C GLU B 139 -1.114 -4.127 -12.021 1.00 0.00 C ATOM 2102 O GLU B 139 -1.885 -3.289 -11.547 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.632 -3.980 -14.517 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.902 -3.177 -14.831 1.00 0.00 C ATOM 2105 CD GLU B 139 -2.295 -3.326 -16.314 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -3.049 -4.268 -16.658 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -1.856 -2.497 -17.150 1.00 0.00 O ATOM 0 H GLU B 139 1.535 -4.825 -13.806 1.00 0.00 H new ATOM 0 HA GLU B 139 0.047 -2.647 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.140 -3.729 -15.245 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.843 -5.043 -14.630 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.720 -3.520 -14.198 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.739 -2.125 -14.598 1.00 0.00 H new ATOM 2114 N GLU B 140 -1.100 -5.396 -11.594 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.964 -5.905 -10.521 1.00 0.00 C ATOM 2116 C GLU B 140 -1.804 -5.107 -9.217 1.00 0.00 C ATOM 2117 O GLU B 140 -2.785 -4.978 -8.484 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.724 -7.404 -10.272 1.00 0.00 C ATOM 2119 CG GLU B 140 -2.183 -8.311 -11.419 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.695 -8.200 -11.690 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -4.503 -8.527 -10.788 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.092 -7.771 -12.800 1.00 0.00 O ATOM 0 H GLU B 140 -0.482 -6.106 -11.988 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.992 -5.773 -10.860 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.660 -7.567 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -2.245 -7.698 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.635 -8.051 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.935 -9.345 -11.182 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.614 -4.548 -8.933 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.369 -3.687 -7.768 1.00 0.00 C ATOM 2131 C LEU B 141 -1.343 -2.511 -7.821 1.00 0.00 C ATOM 2132 O LEU B 141 -2.161 -2.334 -6.926 1.00 0.00 O ATOM 2133 CB LEU B 141 1.071 -3.124 -7.747 1.00 0.00 C ATOM 2134 CG LEU B 141 2.200 -4.126 -7.468 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.531 -3.528 -7.917 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.305 -4.402 -5.968 1.00 0.00 C ATOM 0 H LEU B 141 0.213 -4.685 -9.515 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.509 -4.290 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.266 -2.652 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.118 -2.339 -6.992 1.00 0.00 H new ATOM 0 HG LEU B 141 1.981 -5.048 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.334 -4.238 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.491 -3.313 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.719 -2.606 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.110 -5.114 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.517 -3.472 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.364 -4.817 -5.608 1.00 0.00 H new ATOM 2148 N LEU B 142 -1.255 -1.718 -8.893 1.00 0.00 N ATOM 2149 CA LEU B 142 -2.069 -0.528 -9.123 1.00 0.00 C ATOM 2150 C LEU B 142 -3.567 -0.850 -9.063 1.00 0.00 C ATOM 2151 O LEU B 142 -4.306 -0.130 -8.394 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.660 0.170 -10.431 1.00 0.00 C ATOM 2153 CG LEU B 142 -0.146 0.412 -10.623 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.052 1.450 -11.725 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.582 0.925 -9.378 1.00 0.00 C ATOM 0 H LEU B 142 -0.592 -1.896 -9.648 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.879 0.178 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -2.021 -0.428 -11.268 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -2.171 1.131 -10.482 1.00 0.00 H new ATOM 0 HG LEU B 142 0.279 -0.562 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.118 1.629 -11.869 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -0.383 1.082 -12.654 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -0.437 2.381 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU B 142 1.638 1.066 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.148 1.876 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.479 0.199 -8.571 1.00 0.00 H new ATOM 2167 N ARG B 143 -4.015 -1.943 -9.701 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.412 -2.424 -9.641 1.00 0.00 C ATOM 2169 C ARG B 143 -5.845 -2.682 -8.193 1.00 0.00 C ATOM 2170 O ARG B 143 -6.898 -2.196 -7.774 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.603 -3.684 -10.501 1.00 0.00 C ATOM 2172 CG ARG B 143 -5.407 -3.420 -12.003 1.00 0.00 C ATOM 2173 CD ARG B 143 -5.632 -4.694 -12.825 1.00 0.00 C ATOM 2174 NE ARG B 143 -7.058 -5.074 -12.874 1.00 0.00 N ATOM 2175 CZ ARG B 143 -7.571 -6.283 -13.025 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -6.846 -7.363 -13.107 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -8.863 -6.433 -13.101 1.00 0.00 N ATOM 0 H ARG B 143 -3.413 -2.527 -10.281 1.00 0.00 H new ATOM 0 HA ARG B 143 -6.049 -1.639 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.898 -4.449 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.604 -4.082 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -6.099 -2.645 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.400 -3.043 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -5.262 -4.542 -13.839 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.053 -5.511 -12.394 1.00 0.00 H new ATOM 0 HE ARG B 143 -7.729 -4.311 -12.780 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -5.829 -7.300 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -7.295 -8.271 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -9.475 -5.619 -13.044 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -9.262 -7.364 -13.218 1.00 0.00 H new ATOM 2191 N ALA B 144 -5.034 -3.417 -7.429 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.263 -3.702 -6.013 1.00 0.00 C ATOM 2193 C ALA B 144 -5.338 -2.400 -5.185 1.00 0.00 C ATOM 2194 O ALA B 144 -6.275 -2.245 -4.402 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.197 -4.681 -5.502 1.00 0.00 C ATOM 0 H ALA B 144 -4.178 -3.841 -7.788 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.233 -4.185 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.371 -4.891 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.253 -5.609 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.208 -4.239 -5.626 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.401 -1.457 -5.363 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.397 -0.152 -4.683 1.00 0.00 C ATOM 2203 C LEU B 145 -5.658 0.677 -4.994 1.00 0.00 C ATOM 2204 O LEU B 145 -6.257 1.283 -4.107 1.00 0.00 O ATOM 2205 CB LEU B 145 -3.173 0.708 -5.086 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.761 0.188 -4.775 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.733 1.257 -5.099 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.551 -0.184 -3.319 1.00 0.00 C ATOM 0 H LEU B 145 -3.610 -1.582 -5.995 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.361 -0.389 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -3.231 0.879 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -3.280 1.679 -4.602 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.645 -0.707 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.266 0.881 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.796 1.514 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.929 2.145 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.531 -0.542 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.718 0.692 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.253 -0.969 -3.039 1.00 0.00 H new ATOM 2220 N ASP B 146 -6.016 0.778 -6.276 1.00 0.00 N ATOM 2221 CA ASP B 146 -7.089 1.635 -6.785 1.00 0.00 C ATOM 2222 C ASP B 146 -8.515 1.327 -6.296 1.00 0.00 C ATOM 2223 O ASP B 146 -9.376 2.207 -6.368 1.00 0.00 O ATOM 2224 CB ASP B 146 -7.033 1.692 -8.320 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.720 2.948 -8.864 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.448 4.048 -8.328 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.478 2.870 -9.858 1.00 0.00 O ATOM 0 H ASP B 146 -5.551 0.248 -7.013 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.883 2.613 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.993 1.675 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.513 0.806 -8.735 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.788 0.119 -5.794 1.00 0.00 N ATOM 2233 CA GLN B 147 -10.121 -0.253 -5.296 1.00 0.00 C ATOM 2234 C GLN B 147 -10.617 0.610 -4.115 1.00 0.00 C ATOM 2235 O GLN B 147 -11.831 0.757 -3.942 1.00 0.00 O ATOM 2236 CB GLN B 147 -10.190 -1.767 -5.033 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.605 -2.185 -3.681 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.446 -3.700 -3.569 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -10.404 -4.450 -3.428 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.234 -4.207 -3.635 1.00 0.00 N ATOM 0 H GLN B 147 -8.097 -0.627 -5.720 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.836 -0.025 -6.086 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -11.230 -2.088 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.656 -2.289 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.635 -1.708 -3.543 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.253 -1.828 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.429 -3.591 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -8.099 -5.216 -3.569 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.710 1.221 -3.330 1.00 0.00 N ATOM 2250 CA VAL B 148 -10.075 2.142 -2.240 1.00 0.00 C ATOM 2251 C VAL B 148 -10.790 3.352 -2.845 1.00 0.00 C ATOM 2252 O VAL B 148 -10.236 4.039 -3.705 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.864 2.664 -1.440 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -9.344 3.347 -0.152 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.871 1.596 -0.999 1.00 0.00 C ATOM 0 H VAL B 148 -8.704 1.089 -3.434 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.706 1.580 -1.552 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.358 3.338 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -8.484 3.713 0.408 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.995 4.184 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.895 2.630 0.457 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -7.057 2.063 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -8.376 0.871 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.469 1.089 -1.876 1.00 0.00 H new ATOM 2265 N ASN B 149 -12.018 3.628 -2.419 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.813 4.765 -2.905 1.00 0.00 C ATOM 2267 C ASN B 149 -13.755 5.338 -1.827 1.00 0.00 C ATOM 2268 O ASN B 149 -14.237 6.478 -2.003 1.00 0.00 O ATOM 2269 CB ASN B 149 -13.580 4.321 -4.175 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.741 3.380 -3.889 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.889 3.796 -3.816 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.488 2.100 -3.734 1.00 0.00 N ATOM 2273 OXT ASN B 149 -14.050 4.640 -0.832 1.00 0.00 O ATOM 0 H ASN B 149 -12.501 3.066 -1.718 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.140 5.585 -3.155 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.958 5.205 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.885 3.830 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -15.251 1.448 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.529 1.759 -3.796 1.00 0.00 H new TER 2280 ASN B 149 HETATM 2281 ZN ZN A 96 -0.248 12.451 -1.293 1.00 0.00 ZN HETATM 2282 ZN ZN A 97 12.863 -3.284 -6.483 1.00 0.00 ZN HETATM 2283 ZN ZN A 98 -5.642 -8.968 6.664 1.00 0.00 ZN