USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 29 LYS NZ :NH3+ 146:sc= 0.0461 (180deg=0) USER MOD Set 1.2: B 50 GLN : amide:sc= 0.0427 K(o=0.089,f=-1.1) USER MOD Set 2.1: A 85 HIS : no HE2:sc= -2.82! C(o=-12!,f=-19!) USER MOD Set 2.2: B 15 HIS : no HE2:sc= -2.79! C(o=-12!,f=-12!) USER MOD Set 2.3: B 25 HIS : no HD1:sc= -6.06! C(o=-12!,f=-12!) USER MOD Set 3.1: A 81 THR OG1 : rot 58:sc= -0.714 USER MOD Set 3.2: B 7 MET CE :methyl -141:sc= -0.87 (180deg=-2.28) USER MOD Set 4.1: A 29 LYS NZ :NH3+ 144:sc= 0.0257 (180deg=0) USER MOD Set 4.2: A 50 GLN : amide:sc= 0.0255 K(o=0.051,f=-1.1) USER MOD Set 5.1: A 15 HIS : no HE2:sc= -2.93! C(o=-12!,f=-12!) USER MOD Set 5.2: A 25 HIS : no HD1:sc= -6! C(o=-12!,f=-13!) USER MOD Set 5.3: B 85 HIS : no HE2:sc= -3.04! C(o=-12!,f=-19!) USER MOD Set 6.1: A 7 MET CE :methyl -141:sc= -0.908 (180deg=-2.17) USER MOD Set 6.2: B 81 THR OG1 : rot 99:sc= -0.476 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.1!) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.569 USER MOD Single : A 18 SER OG : rot -113:sc= 0.891 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.181 (180deg=-0.829) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.073) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc=-0.00535 (180deg=-0.288) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 130:sc= -0.31 (180deg=-1.25!) USER MOD Single : A 37 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.2!) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.55 F(o=-7.5!,f=-2.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.929 (180deg=-0.263!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -178:sc= -1.03 (180deg=-1.08) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -51:sc= -4.05! USER MOD Single : A 71 GLN : amide:sc= -8.19! C(o=-8.2!,f=-11!) USER MOD Single : A 74 MET CE :methyl -173:sc= -1.36 (180deg=-1.47) USER MOD Single : A 78 SER OG : rot -21:sc= -1.21 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 24:sc= -1.55 USER MOD Single : A 84 CYS SG : rot 81:sc= 1.22 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -2.19! C(o=-2.2!,f=-1.7!) USER MOD Single : B 17 TYR OH : rot 30:sc= -0.605 USER MOD Single : B 18 SER OG : rot -92:sc= 0.777 USER MOD Single : B 24 LYS NZ :NH3+ 159:sc= -0.0882 (180deg=-0.798) USER MOD Single : B 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0689) USER MOD Single : B 28 LYS NZ :NH3+ -163:sc= -0.0306 (180deg=-0.427) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 148:sc= -0.289 (180deg=-1.21!) USER MOD Single : B 37 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.1!) USER MOD Single : B 38 ASN :FLIP amide:sc= -2.44 F(o=-7.3!,f=-2.4) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.7) USER MOD Single : B 48 LYS NZ :NH3+ 151:sc= 0.987 (180deg=-0.234) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl -172:sc= -1.11 (180deg=-1.19) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot -38:sc= -4.07! USER MOD Single : B 71 GLN : amide:sc= -8.05! C(o=-8.1!,f=-11!) USER MOD Single : B 74 MET CE :methyl -169:sc= -1.39 (180deg=-1.48) USER MOD Single : B 78 SER OG : rot -24:sc= -1.26 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 29:sc= -1.49 USER MOD Single : B 84 CYS SG : rot 69:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.812 0.901 11.958 1.00 0.00 N ATOM 32 CA GLU A 2 -6.611 0.023 11.881 1.00 0.00 C ATOM 33 C GLU A 2 -5.841 0.421 10.631 1.00 0.00 C ATOM 34 O GLU A 2 -4.632 0.331 10.563 1.00 0.00 O ATOM 35 CB GLU A 2 -7.040 -1.445 11.774 1.00 0.00 C ATOM 36 CG GLU A 2 -7.504 -1.954 13.145 1.00 0.00 C ATOM 37 CD GLU A 2 -6.290 -2.324 14.004 1.00 0.00 C ATOM 38 OE1 GLU A 2 -5.181 -2.043 13.581 1.00 0.00 O ATOM 39 OE2 GLU A 2 -6.493 -2.885 15.069 1.00 0.00 O ATOM 0 HA GLU A 2 -5.995 0.136 12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.846 -1.545 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.209 -2.051 11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.095 -1.187 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.150 -2.823 13.020 1.00 0.00 H new ATOM 46 N LEU A 3 -6.558 0.883 9.647 1.00 0.00 N ATOM 47 CA LEU A 3 -5.925 1.322 8.389 1.00 0.00 C ATOM 48 C LEU A 3 -5.273 2.688 8.641 1.00 0.00 C ATOM 49 O LEU A 3 -4.313 3.063 7.999 1.00 0.00 O ATOM 50 CB LEU A 3 -7.021 1.404 7.324 1.00 0.00 C ATOM 51 CG LEU A 3 -6.483 2.002 6.027 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.204 1.265 5.598 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.553 1.869 4.921 1.00 0.00 C ATOM 0 H LEU A 3 -7.574 0.974 9.669 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.155 0.631 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.420 0.408 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.847 2.012 7.693 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.249 3.054 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.828 1.699 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.449 1.363 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.428 0.210 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.172 2.295 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.788 0.816 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.455 2.402 5.222 1.00 0.00 H new ATOM 65 N GLU A 4 -5.769 3.415 9.609 1.00 0.00 N ATOM 66 CA GLU A 4 -5.166 4.733 9.948 1.00 0.00 C ATOM 67 C GLU A 4 -3.814 4.466 10.604 1.00 0.00 C ATOM 68 O GLU A 4 -2.852 5.182 10.407 1.00 0.00 O ATOM 69 CB GLU A 4 -6.077 5.480 10.925 1.00 0.00 C ATOM 70 CG GLU A 4 -5.644 6.947 11.012 1.00 0.00 C ATOM 71 CD GLU A 4 -6.110 7.695 9.760 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.254 7.512 9.376 1.00 0.00 O ATOM 73 OE2 GLU A 4 -5.316 8.439 9.208 1.00 0.00 O ATOM 0 H GLU A 4 -6.570 3.148 10.181 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.044 5.343 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.113 5.415 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.028 5.017 11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.068 7.410 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.560 7.012 11.104 1.00 0.00 H new ATOM 80 N LYS A 5 -3.744 3.430 11.389 1.00 0.00 N ATOM 81 CA LYS A 5 -2.457 3.092 12.063 1.00 0.00 C ATOM 82 C LYS A 5 -1.424 2.722 10.995 1.00 0.00 C ATOM 83 O LYS A 5 -0.262 3.071 11.084 1.00 0.00 O ATOM 84 CB LYS A 5 -2.673 1.885 13.008 1.00 0.00 C ATOM 85 CG LYS A 5 -2.959 2.362 14.438 1.00 0.00 C ATOM 86 CD LYS A 5 -4.405 2.907 14.549 1.00 0.00 C ATOM 87 CE LYS A 5 -5.363 1.807 15.045 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.424 1.841 16.534 1.00 0.00 N ATOM 0 H LYS A 5 -4.521 2.801 11.595 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.105 3.946 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.504 1.279 12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.788 1.248 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.820 1.538 15.137 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.248 3.140 14.717 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.429 3.754 15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.736 3.274 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.357 1.959 14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.020 0.830 14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.070 1.099 16.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.474 1.677 16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.771 2.771 16.846 1.00 0.00 H new ATOM 102 N ALA A 6 -1.846 1.996 10.006 1.00 0.00 N ATOM 103 CA ALA A 6 -0.911 1.558 8.931 1.00 0.00 C ATOM 104 C ALA A 6 -0.342 2.757 8.179 1.00 0.00 C ATOM 105 O ALA A 6 0.857 2.938 8.105 1.00 0.00 O ATOM 106 CB ALA A 6 -1.665 0.655 7.954 1.00 0.00 C ATOM 0 H ALA A 6 -2.809 1.681 9.891 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.082 1.015 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.989 0.329 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.048 -0.216 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.496 1.207 7.516 1.00 0.00 H new ATOM 112 N MET A 7 -1.176 3.575 7.616 1.00 0.00 N ATOM 113 CA MET A 7 -0.646 4.745 6.871 1.00 0.00 C ATOM 114 C MET A 7 0.269 5.547 7.796 1.00 0.00 C ATOM 115 O MET A 7 1.266 6.090 7.373 1.00 0.00 O ATOM 116 CB MET A 7 -1.791 5.623 6.321 1.00 0.00 C ATOM 117 CG MET A 7 -2.960 5.767 7.328 1.00 0.00 C ATOM 118 SD MET A 7 -4.542 5.545 6.459 1.00 0.00 S ATOM 119 CE MET A 7 -4.405 6.952 5.328 1.00 0.00 C ATOM 0 H MET A 7 -2.192 3.488 7.637 1.00 0.00 H new ATOM 0 HA MET A 7 -0.074 4.395 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.402 6.611 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.165 5.189 5.394 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.863 5.027 8.122 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.928 6.749 7.801 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.379 7.428 5.220 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.691 7.672 5.728 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.062 6.604 4.354 1.00 0.00 H new ATOM 129 N VAL A 8 -0.039 5.602 9.060 1.00 0.00 N ATOM 130 CA VAL A 8 0.844 6.349 10.005 1.00 0.00 C ATOM 131 C VAL A 8 2.167 5.575 10.158 1.00 0.00 C ATOM 132 O VAL A 8 3.243 6.093 9.925 1.00 0.00 O ATOM 133 CB VAL A 8 0.125 6.462 11.366 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.140 6.696 12.497 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.868 7.630 11.324 1.00 0.00 C ATOM 0 H VAL A 8 -0.859 5.165 9.481 1.00 0.00 H new ATOM 0 HA VAL A 8 1.057 7.350 9.630 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.406 5.530 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.613 6.773 13.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.840 5.861 12.536 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.687 7.620 12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.376 7.710 12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.332 8.556 11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.603 7.455 10.538 1.00 0.00 H new ATOM 145 N ALA A 9 2.073 4.336 10.553 1.00 0.00 N ATOM 146 CA ALA A 9 3.300 3.504 10.735 1.00 0.00 C ATOM 147 C ALA A 9 4.124 3.505 9.438 1.00 0.00 C ATOM 148 O ALA A 9 5.337 3.395 9.456 1.00 0.00 O ATOM 149 CB ALA A 9 2.898 2.069 11.087 1.00 0.00 C ATOM 0 H ALA A 9 1.195 3.859 10.759 1.00 0.00 H new ATOM 0 HA ALA A 9 3.901 3.921 11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.794 1.462 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.320 2.069 12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.294 1.652 10.281 1.00 0.00 H new ATOM 155 N LEU A 10 3.470 3.620 8.315 1.00 0.00 N ATOM 156 CA LEU A 10 4.194 3.616 7.006 1.00 0.00 C ATOM 157 C LEU A 10 4.888 4.968 6.780 1.00 0.00 C ATOM 158 O LEU A 10 6.027 5.019 6.377 1.00 0.00 O ATOM 159 CB LEU A 10 3.170 3.343 5.881 1.00 0.00 C ATOM 160 CG LEU A 10 3.073 1.816 5.581 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.622 1.420 5.303 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.920 1.473 4.347 1.00 0.00 C ATOM 0 H LEU A 10 2.457 3.717 8.245 1.00 0.00 H new ATOM 0 HA LEU A 10 4.959 2.839 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.191 3.724 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.464 3.878 4.978 1.00 0.00 H new ATOM 0 HG LEU A 10 3.440 1.271 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.570 0.351 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.009 1.651 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.252 1.976 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.848 0.405 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.553 2.033 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.961 1.737 4.535 1.00 0.00 H new ATOM 174 N ILE A 11 4.215 6.058 7.026 1.00 0.00 N ATOM 175 CA ILE A 11 4.840 7.401 6.814 1.00 0.00 C ATOM 176 C ILE A 11 6.246 7.398 7.421 1.00 0.00 C ATOM 177 O ILE A 11 7.155 8.022 6.912 1.00 0.00 O ATOM 178 CB ILE A 11 3.983 8.478 7.511 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.758 8.798 6.641 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.801 9.766 7.732 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.746 9.651 7.427 1.00 0.00 C ATOM 0 H ILE A 11 3.254 6.080 7.367 1.00 0.00 H new ATOM 0 HA ILE A 11 4.899 7.618 5.747 1.00 0.00 H new ATOM 0 HB ILE A 11 3.663 8.095 8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.071 9.331 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.285 7.872 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.178 10.513 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.666 9.545 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.138 10.152 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.885 9.868 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.419 9.104 8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.217 10.585 7.732 1.00 0.00 H new ATOM 193 N ASP A 12 6.425 6.703 8.508 1.00 0.00 N ATOM 194 CA ASP A 12 7.769 6.669 9.147 1.00 0.00 C ATOM 195 C ASP A 12 8.720 5.812 8.311 1.00 0.00 C ATOM 196 O ASP A 12 9.797 6.243 7.948 1.00 0.00 O ATOM 197 CB ASP A 12 7.653 6.084 10.555 1.00 0.00 C ATOM 198 CG ASP A 12 8.944 6.360 11.329 1.00 0.00 C ATOM 199 OD1 ASP A 12 9.904 5.639 11.114 1.00 0.00 O ATOM 200 OD2 ASP A 12 8.950 7.288 12.120 1.00 0.00 O ATOM 0 H ASP A 12 5.703 6.159 8.980 1.00 0.00 H new ATOM 0 HA ASP A 12 8.162 7.684 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.803 6.526 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.471 5.011 10.501 1.00 0.00 H new ATOM 205 N VAL A 13 8.336 4.607 7.993 1.00 0.00 N ATOM 206 CA VAL A 13 9.230 3.742 7.174 1.00 0.00 C ATOM 207 C VAL A 13 9.226 4.243 5.731 1.00 0.00 C ATOM 208 O VAL A 13 10.175 4.052 4.997 1.00 0.00 O ATOM 209 CB VAL A 13 8.755 2.283 7.231 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.888 1.351 6.781 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.364 1.945 8.670 1.00 0.00 C ATOM 0 H VAL A 13 7.447 4.186 8.263 1.00 0.00 H new ATOM 0 HA VAL A 13 10.244 3.788 7.572 1.00 0.00 H new ATOM 0 HB VAL A 13 7.898 2.151 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.547 0.317 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.177 1.597 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.746 1.477 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.025 0.910 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.227 2.077 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.560 2.607 8.994 1.00 0.00 H new ATOM 221 N PHE A 14 8.168 4.882 5.310 1.00 0.00 N ATOM 222 CA PHE A 14 8.134 5.383 3.907 1.00 0.00 C ATOM 223 C PHE A 14 9.098 6.568 3.758 1.00 0.00 C ATOM 224 O PHE A 14 9.926 6.596 2.871 1.00 0.00 O ATOM 225 CB PHE A 14 6.704 5.815 3.541 1.00 0.00 C ATOM 226 CG PHE A 14 6.724 6.691 2.300 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.361 6.243 1.135 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.121 7.957 2.322 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.392 7.055 -0.004 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.155 8.769 1.182 1.00 0.00 C ATOM 231 CZ PHE A 14 6.790 8.318 0.021 1.00 0.00 C ATOM 0 H PHE A 14 7.337 5.077 5.868 1.00 0.00 H new ATOM 0 HA PHE A 14 8.444 4.585 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.084 4.936 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.256 6.359 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.829 5.270 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.630 8.306 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.880 6.707 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.691 9.744 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.816 8.945 -0.858 1.00 0.00 H new ATOM 241 N HIS A 15 8.977 7.555 4.602 1.00 0.00 N ATOM 242 CA HIS A 15 9.865 8.747 4.486 1.00 0.00 C ATOM 243 C HIS A 15 11.299 8.399 4.908 1.00 0.00 C ATOM 244 O HIS A 15 12.247 8.947 4.393 1.00 0.00 O ATOM 245 CB HIS A 15 9.322 9.871 5.379 1.00 0.00 C ATOM 246 CG HIS A 15 9.871 11.198 4.923 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.665 11.992 5.737 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.744 11.883 3.740 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.980 13.099 5.039 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.443 13.083 3.815 1.00 0.00 N ATOM 0 H HIS A 15 8.303 7.588 5.366 1.00 0.00 H new ATOM 0 HA HIS A 15 9.882 9.074 3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.233 9.885 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.601 9.690 6.417 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.957 11.777 6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.186 11.542 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.592 13.902 5.421 1.00 0.00 H new ATOM 258 N GLN A 16 11.474 7.511 5.844 1.00 0.00 N ATOM 259 CA GLN A 16 12.839 7.161 6.291 1.00 0.00 C ATOM 260 C GLN A 16 13.599 6.440 5.167 1.00 0.00 C ATOM 261 O GLN A 16 14.751 6.726 4.893 1.00 0.00 O ATOM 262 CB GLN A 16 12.680 6.255 7.508 1.00 0.00 C ATOM 263 CG GLN A 16 13.990 5.569 7.855 1.00 0.00 C ATOM 264 CD GLN A 16 15.105 6.608 7.994 1.00 0.00 C ATOM 265 OE1 GLN A 16 15.720 6.991 7.020 1.00 0.00 O ATOM 266 NE2 GLN A 16 15.397 7.080 9.176 1.00 0.00 N ATOM 0 H GLN A 16 10.722 7.012 6.319 1.00 0.00 H new ATOM 0 HA GLN A 16 13.413 8.052 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.337 6.842 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.915 5.505 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.883 5.012 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.249 4.848 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.881 6.759 9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.141 7.770 9.280 1.00 0.00 H new ATOM 275 N TYR A 17 12.962 5.527 4.494 1.00 0.00 N ATOM 276 CA TYR A 17 13.652 4.805 3.389 1.00 0.00 C ATOM 277 C TYR A 17 13.504 5.609 2.101 1.00 0.00 C ATOM 278 O TYR A 17 14.480 5.991 1.486 1.00 0.00 O ATOM 279 CB TYR A 17 13.032 3.412 3.224 1.00 0.00 C ATOM 280 CG TYR A 17 13.572 2.502 4.305 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.032 2.549 5.596 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.625 1.624 4.020 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.542 1.717 6.600 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.137 0.794 5.025 1.00 0.00 C ATOM 285 CZ TYR A 17 14.596 0.840 6.315 1.00 0.00 C ATOM 286 OH TYR A 17 15.099 0.023 7.305 1.00 0.00 O ATOM 0 H TYR A 17 11.995 5.248 4.659 1.00 0.00 H new ATOM 0 HA TYR A 17 14.711 4.691 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.946 3.473 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.269 3.009 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.221 3.228 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.042 1.587 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.122 1.752 7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.950 0.118 4.805 1.00 0.00 H new ATOM 0 HH TYR A 17 14.388 -0.193 7.944 1.00 0.00 H new ATOM 296 N SER A 18 12.301 5.887 1.696 1.00 0.00 N ATOM 297 CA SER A 18 12.114 6.682 0.455 1.00 0.00 C ATOM 298 C SER A 18 12.864 8.009 0.597 1.00 0.00 C ATOM 299 O SER A 18 13.323 8.581 -0.372 1.00 0.00 O ATOM 300 CB SER A 18 10.626 6.957 0.240 1.00 0.00 C ATOM 301 OG SER A 18 10.244 8.095 1.003 1.00 0.00 O ATOM 0 H SER A 18 11.443 5.600 2.167 1.00 0.00 H new ATOM 0 HA SER A 18 12.502 6.127 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.425 7.130 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.037 6.090 0.539 1.00 0.00 H new ATOM 0 HG SER A 18 9.625 7.821 1.712 1.00 0.00 H new ATOM 307 N GLY A 19 12.990 8.505 1.802 1.00 0.00 N ATOM 308 CA GLY A 19 13.708 9.799 2.014 1.00 0.00 C ATOM 309 C GLY A 19 15.191 9.536 2.282 1.00 0.00 C ATOM 310 O GLY A 19 15.960 10.456 2.492 1.00 0.00 O ATOM 0 H GLY A 19 12.626 8.069 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.596 10.435 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.268 10.335 2.854 1.00 0.00 H new ATOM 314 N ARG A 20 15.614 8.300 2.256 1.00 0.00 N ATOM 315 CA ARG A 20 17.057 8.010 2.486 1.00 0.00 C ATOM 316 C ARG A 20 17.857 8.498 1.277 1.00 0.00 C ATOM 317 O ARG A 20 18.879 9.140 1.415 1.00 0.00 O ATOM 318 CB ARG A 20 17.257 6.497 2.649 1.00 0.00 C ATOM 319 CG ARG A 20 18.717 6.193 3.015 1.00 0.00 C ATOM 320 CD ARG A 20 18.981 4.691 2.884 1.00 0.00 C ATOM 321 NE ARG A 20 20.276 4.356 3.544 1.00 0.00 N ATOM 322 CZ ARG A 20 20.372 4.373 4.846 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.338 4.700 5.574 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.503 4.069 5.420 1.00 0.00 N ATOM 0 H ARG A 20 15.026 7.484 2.086 1.00 0.00 H new ATOM 0 HA ARG A 20 17.396 8.518 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.593 6.116 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 20 16.992 5.986 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.389 6.748 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.922 6.520 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.169 4.127 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.012 4.406 1.832 1.00 0.00 H new ATOM 0 HE ARG A 20 21.088 4.113 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.455 4.942 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.414 4.713 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.312 3.818 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.578 4.082 6.437 1.00 0.00 H new ATOM 338 N GLU A 21 17.402 8.184 0.091 1.00 0.00 N ATOM 339 CA GLU A 21 18.134 8.609 -1.145 1.00 0.00 C ATOM 340 C GLU A 21 17.139 9.128 -2.189 1.00 0.00 C ATOM 341 O GLU A 21 15.941 8.997 -2.040 1.00 0.00 O ATOM 342 CB GLU A 21 18.881 7.401 -1.716 1.00 0.00 C ATOM 343 CG GLU A 21 19.537 6.613 -0.577 1.00 0.00 C ATOM 344 CD GLU A 21 20.607 5.678 -1.147 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.331 6.108 -2.030 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.684 4.549 -0.691 1.00 0.00 O ATOM 0 H GLU A 21 16.550 7.649 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 21 18.837 9.404 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.190 6.760 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.639 7.732 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.985 7.299 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.784 6.036 -0.040 1.00 0.00 H new ATOM 353 N GLY A 22 17.636 9.713 -3.250 1.00 0.00 N ATOM 354 CA GLY A 22 16.734 10.242 -4.318 1.00 0.00 C ATOM 355 C GLY A 22 16.344 11.682 -3.997 1.00 0.00 C ATOM 356 O GLY A 22 16.878 12.293 -3.093 1.00 0.00 O ATOM 0 H GLY A 22 18.632 9.847 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.235 10.198 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.841 9.622 -4.393 1.00 0.00 H new ATOM 360 N ASP A 23 15.409 12.231 -4.727 1.00 0.00 N ATOM 361 CA ASP A 23 14.981 13.633 -4.453 1.00 0.00 C ATOM 362 C ASP A 23 14.715 13.782 -2.956 1.00 0.00 C ATOM 363 O ASP A 23 15.390 14.515 -2.261 1.00 0.00 O ATOM 364 CB ASP A 23 13.697 13.932 -5.230 1.00 0.00 C ATOM 365 CG ASP A 23 13.214 15.345 -4.898 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.040 16.159 -4.521 1.00 0.00 O ATOM 367 OD2 ASP A 23 12.025 15.587 -5.025 1.00 0.00 O ATOM 0 H ASP A 23 14.925 11.771 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 23 15.761 14.328 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.878 13.841 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.927 13.204 -4.974 1.00 0.00 H new ATOM 372 N LYS A 24 13.740 13.077 -2.455 1.00 0.00 N ATOM 373 CA LYS A 24 13.423 13.149 -1.001 1.00 0.00 C ATOM 374 C LYS A 24 12.268 12.183 -0.706 1.00 0.00 C ATOM 375 O LYS A 24 11.879 11.994 0.428 1.00 0.00 O ATOM 376 CB LYS A 24 13.026 14.603 -0.616 1.00 0.00 C ATOM 377 CG LYS A 24 13.806 15.077 0.623 1.00 0.00 C ATOM 378 CD LYS A 24 13.335 14.304 1.859 1.00 0.00 C ATOM 379 CE LYS A 24 14.220 14.664 3.053 1.00 0.00 C ATOM 380 NZ LYS A 24 14.431 16.139 3.091 1.00 0.00 N ATOM 0 H LYS A 24 13.144 12.449 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 24 14.296 12.867 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.225 15.272 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.955 14.651 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.875 14.924 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.655 16.146 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.295 14.546 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.380 13.232 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.753 14.329 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.179 14.151 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.694 16.427 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.193 16.398 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.553 16.623 2.812 1.00 0.00 H new ATOM 394 N HIS A 25 11.718 11.566 -1.720 1.00 0.00 N ATOM 395 CA HIS A 25 10.589 10.616 -1.488 1.00 0.00 C ATOM 396 C HIS A 25 10.530 9.563 -2.596 1.00 0.00 C ATOM 397 O HIS A 25 9.483 9.326 -3.167 1.00 0.00 O ATOM 398 CB HIS A 25 9.260 11.388 -1.456 1.00 0.00 C ATOM 399 CG HIS A 25 9.434 12.708 -0.752 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.632 12.802 0.621 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.417 14.003 -1.215 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.723 14.110 0.930 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.599 14.879 -0.152 1.00 0.00 N ATOM 0 H HIS A 25 12.000 11.678 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 25 10.753 10.116 -0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.905 11.555 -2.473 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.500 10.795 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.283 14.294 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.877 14.489 1.930 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.631 15.898 -0.191 1.00 0.00 H new ATOM 411 N LYS A 26 11.627 8.918 -2.902 1.00 0.00 N ATOM 412 CA LYS A 26 11.620 7.864 -3.967 1.00 0.00 C ATOM 413 C LYS A 26 12.354 6.642 -3.429 1.00 0.00 C ATOM 414 O LYS A 26 13.284 6.759 -2.655 1.00 0.00 O ATOM 415 CB LYS A 26 12.340 8.387 -5.215 1.00 0.00 C ATOM 416 CG LYS A 26 11.444 9.405 -5.942 1.00 0.00 C ATOM 417 CD LYS A 26 10.456 8.683 -6.890 1.00 0.00 C ATOM 418 CE LYS A 26 9.147 9.477 -6.994 1.00 0.00 C ATOM 419 NZ LYS A 26 9.418 10.808 -7.608 1.00 0.00 N ATOM 0 H LYS A 26 12.532 9.075 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 26 10.596 7.604 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.284 8.854 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.581 7.559 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.890 9.996 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.062 10.099 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.903 8.573 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.252 7.679 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.423 8.928 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.707 9.604 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.518 11.262 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.926 11.408 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.999 10.685 -8.461 1.00 0.00 H new ATOM 433 N LEU A 27 11.928 5.468 -3.807 1.00 0.00 N ATOM 434 CA LEU A 27 12.591 4.226 -3.281 1.00 0.00 C ATOM 435 C LEU A 27 13.684 3.728 -4.251 1.00 0.00 C ATOM 436 O LEU A 27 13.432 3.478 -5.414 1.00 0.00 O ATOM 437 CB LEU A 27 11.517 3.120 -3.091 1.00 0.00 C ATOM 438 CG LEU A 27 11.739 2.331 -1.762 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.839 2.892 -0.656 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.413 0.845 -1.975 1.00 0.00 C ATOM 0 H LEU A 27 11.155 5.308 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 27 13.064 4.458 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.525 3.571 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.550 2.431 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 27 12.782 2.437 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.003 2.333 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.078 3.943 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.795 2.800 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.570 0.301 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.373 0.741 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.064 0.437 -2.748 1.00 0.00 H new ATOM 452 N LYS A 28 14.886 3.551 -3.754 1.00 0.00 N ATOM 453 CA LYS A 28 16.010 3.030 -4.600 1.00 0.00 C ATOM 454 C LYS A 28 16.362 1.610 -4.137 1.00 0.00 C ATOM 455 O LYS A 28 16.092 1.230 -3.017 1.00 0.00 O ATOM 456 CB LYS A 28 17.239 3.921 -4.425 1.00 0.00 C ATOM 457 CG LYS A 28 17.079 5.209 -5.234 1.00 0.00 C ATOM 458 CD LYS A 28 18.423 5.935 -5.271 1.00 0.00 C ATOM 459 CE LYS A 28 18.220 7.380 -5.724 1.00 0.00 C ATOM 460 NZ LYS A 28 17.386 7.405 -6.958 1.00 0.00 N ATOM 0 H LYS A 28 15.140 3.748 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 28 15.706 3.025 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.376 4.160 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.133 3.388 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.745 4.980 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.318 5.846 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.884 5.915 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.104 5.424 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.736 7.955 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.184 7.851 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.536 8.303 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.657 6.614 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.382 7.315 -6.701 1.00 0.00 H new ATOM 474 N LYS A 29 16.971 0.822 -4.981 1.00 0.00 N ATOM 475 CA LYS A 29 17.339 -0.565 -4.566 1.00 0.00 C ATOM 476 C LYS A 29 18.049 -0.520 -3.208 1.00 0.00 C ATOM 477 O LYS A 29 17.768 -1.309 -2.329 1.00 0.00 O ATOM 478 CB LYS A 29 18.271 -1.188 -5.612 1.00 0.00 C ATOM 479 CG LYS A 29 17.483 -1.525 -6.884 1.00 0.00 C ATOM 480 CD LYS A 29 18.295 -2.487 -7.754 1.00 0.00 C ATOM 481 CE LYS A 29 19.680 -1.897 -8.021 1.00 0.00 C ATOM 482 NZ LYS A 29 20.317 -2.623 -9.155 1.00 0.00 N ATOM 0 H LYS A 29 17.229 1.075 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 29 16.435 -1.169 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 29 19.080 -0.496 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.731 -2.091 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.526 -1.976 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.264 -0.613 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.390 -3.451 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.777 -2.665 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.596 -0.836 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.300 -1.978 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.876 -1.956 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.940 -3.368 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.580 -3.052 -9.750 1.00 0.00 H new ATOM 496 N SER A 30 18.961 0.401 -3.025 1.00 0.00 N ATOM 497 CA SER A 30 19.673 0.490 -1.716 1.00 0.00 C ATOM 498 C SER A 30 18.640 0.533 -0.592 1.00 0.00 C ATOM 499 O SER A 30 18.937 0.270 0.554 1.00 0.00 O ATOM 500 CB SER A 30 20.511 1.768 -1.673 1.00 0.00 C ATOM 501 OG SER A 30 21.642 1.615 -2.519 1.00 0.00 O ATOM 0 H SER A 30 19.242 1.091 -3.722 1.00 0.00 H new ATOM 0 HA SER A 30 20.324 -0.376 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.913 2.620 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.831 1.973 -0.651 1.00 0.00 H new ATOM 0 HG SER A 30 22.181 2.433 -2.496 1.00 0.00 H new ATOM 507 N GLU A 31 17.424 0.855 -0.925 1.00 0.00 N ATOM 508 CA GLU A 31 16.343 0.912 0.103 1.00 0.00 C ATOM 509 C GLU A 31 15.505 -0.351 0.022 1.00 0.00 C ATOM 510 O GLU A 31 15.089 -0.884 1.022 1.00 0.00 O ATOM 511 CB GLU A 31 15.466 2.133 -0.154 1.00 0.00 C ATOM 512 CG GLU A 31 16.326 3.395 -0.076 1.00 0.00 C ATOM 513 CD GLU A 31 15.504 4.600 -0.532 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.297 4.563 -0.364 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.096 5.538 -1.038 1.00 0.00 O ATOM 0 H GLU A 31 17.127 1.084 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 31 16.783 0.988 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.997 2.058 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.663 2.180 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.677 3.546 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.210 3.285 -0.704 1.00 0.00 H new ATOM 522 N LEU A 32 15.251 -0.838 -1.156 1.00 0.00 N ATOM 523 CA LEU A 32 14.427 -2.070 -1.273 1.00 0.00 C ATOM 524 C LEU A 32 15.215 -3.255 -0.703 1.00 0.00 C ATOM 525 O LEU A 32 14.694 -4.052 0.051 1.00 0.00 O ATOM 526 CB LEU A 32 14.046 -2.299 -2.759 1.00 0.00 C ATOM 527 CG LEU A 32 12.570 -2.719 -2.878 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.147 -2.737 -4.350 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.396 -4.114 -2.285 1.00 0.00 C ATOM 0 H LEU A 32 15.575 -0.441 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 32 13.504 -1.967 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.218 -1.386 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.685 -3.069 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 32 11.949 -2.005 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.101 -3.035 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.272 -1.742 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.767 -3.447 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.352 -4.416 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.022 -4.821 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.689 -4.102 -1.235 1.00 0.00 H new ATOM 541 N LYS A 33 16.466 -3.364 -1.034 1.00 0.00 N ATOM 542 CA LYS A 33 17.281 -4.475 -0.490 1.00 0.00 C ATOM 543 C LYS A 33 17.545 -4.204 0.995 1.00 0.00 C ATOM 544 O LYS A 33 17.590 -5.106 1.807 1.00 0.00 O ATOM 545 CB LYS A 33 18.591 -4.499 -1.273 1.00 0.00 C ATOM 546 CG LYS A 33 19.466 -5.688 -0.855 1.00 0.00 C ATOM 547 CD LYS A 33 20.927 -5.413 -1.265 1.00 0.00 C ATOM 548 CE LYS A 33 21.664 -4.666 -0.145 1.00 0.00 C ATOM 549 NZ LYS A 33 21.662 -5.492 1.095 1.00 0.00 N ATOM 0 H LYS A 33 16.960 -2.729 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 33 16.775 -5.436 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.379 -4.558 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.134 -3.569 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.401 -5.841 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.109 -6.602 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.435 -6.353 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.950 -4.823 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.689 -4.453 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.182 -3.707 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.629 -5.553 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.040 -5.053 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.315 -6.447 0.875 1.00 0.00 H new ATOM 563 N GLU A 34 17.731 -2.960 1.345 1.00 0.00 N ATOM 564 CA GLU A 34 18.008 -2.619 2.774 1.00 0.00 C ATOM 565 C GLU A 34 16.703 -2.601 3.568 1.00 0.00 C ATOM 566 O GLU A 34 16.673 -2.940 4.736 1.00 0.00 O ATOM 567 CB GLU A 34 18.680 -1.247 2.862 1.00 0.00 C ATOM 568 CG GLU A 34 19.138 -0.987 4.300 1.00 0.00 C ATOM 569 CD GLU A 34 19.655 0.448 4.418 1.00 0.00 C ATOM 570 OE1 GLU A 34 18.970 1.344 3.950 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.726 0.627 4.973 1.00 0.00 O ATOM 0 H GLU A 34 17.704 -2.165 0.706 1.00 0.00 H new ATOM 0 HA GLU A 34 18.674 -3.373 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.534 -1.205 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.984 -0.470 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.310 -1.145 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.922 -1.692 4.576 1.00 0.00 H new ATOM 578 N LEU A 35 15.625 -2.220 2.948 1.00 0.00 N ATOM 579 CA LEU A 35 14.328 -2.194 3.675 1.00 0.00 C ATOM 580 C LEU A 35 13.876 -3.631 3.908 1.00 0.00 C ATOM 581 O LEU A 35 13.280 -3.956 4.917 1.00 0.00 O ATOM 582 CB LEU A 35 13.278 -1.455 2.835 1.00 0.00 C ATOM 583 CG LEU A 35 11.897 -1.554 3.503 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.967 -1.067 4.956 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.902 -0.692 2.726 1.00 0.00 C ATOM 0 H LEU A 35 15.585 -1.926 1.972 1.00 0.00 H new ATOM 0 HA LEU A 35 14.445 -1.678 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.562 -0.409 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.237 -1.882 1.833 1.00 0.00 H new ATOM 0 HG LEU A 35 11.574 -2.595 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.981 -1.144 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.674 -1.682 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.296 -0.028 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.920 -0.758 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.238 0.345 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.838 -1.048 1.698 1.00 0.00 H new ATOM 597 N ILE A 36 14.161 -4.496 2.977 1.00 0.00 N ATOM 598 CA ILE A 36 13.757 -5.917 3.129 1.00 0.00 C ATOM 599 C ILE A 36 14.602 -6.559 4.233 1.00 0.00 C ATOM 600 O ILE A 36 14.128 -7.368 5.005 1.00 0.00 O ATOM 601 CB ILE A 36 13.967 -6.646 1.788 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.863 -6.226 0.815 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.905 -8.163 1.986 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.211 -6.693 -0.597 1.00 0.00 C ATOM 0 H ILE A 36 14.659 -4.277 2.114 1.00 0.00 H new ATOM 0 HA ILE A 36 12.705 -5.988 3.405 1.00 0.00 H new ATOM 0 HB ILE A 36 14.947 -6.381 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.910 -6.655 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.745 -5.143 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.055 -8.661 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.685 -8.471 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.930 -8.438 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.421 -6.391 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.154 -6.243 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.306 -7.779 -0.608 1.00 0.00 H new ATOM 616 N ASN A 37 15.857 -6.211 4.300 1.00 0.00 N ATOM 617 CA ASN A 37 16.749 -6.807 5.338 1.00 0.00 C ATOM 618 C ASN A 37 16.581 -6.106 6.694 1.00 0.00 C ATOM 619 O ASN A 37 16.918 -6.659 7.723 1.00 0.00 O ATOM 620 CB ASN A 37 18.203 -6.666 4.887 1.00 0.00 C ATOM 621 CG ASN A 37 19.125 -7.253 5.958 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.701 -8.053 6.768 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.377 -6.890 5.996 1.00 0.00 N ATOM 0 H ASN A 37 16.306 -5.538 3.679 1.00 0.00 H new ATOM 0 HA ASN A 37 16.479 -7.856 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.353 -7.182 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.444 -5.616 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.999 -7.278 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.734 -6.218 5.316 1.00 0.00 H new ATOM 630 N ASN A 38 16.117 -4.883 6.715 1.00 0.00 N ATOM 631 CA ASN A 38 15.995 -4.158 8.025 1.00 0.00 C ATOM 632 C ASN A 38 14.614 -4.359 8.664 1.00 0.00 C ATOM 633 O ASN A 38 14.511 -4.575 9.856 1.00 0.00 O ATOM 634 CB ASN A 38 16.213 -2.659 7.788 1.00 0.00 C ATOM 635 CG ASN A 38 17.647 -2.412 7.317 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.246 -3.311 6.587 1.00 0.00 O flip ATOM 637 ND2 ASN A 38 18.226 -1.385 7.612 1.00 0.00 N flip ATOM 0 H ASN A 38 15.819 -4.356 5.894 1.00 0.00 H new ATOM 0 HA ASN A 38 16.746 -4.563 8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.507 -2.293 7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.022 -2.105 8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.758 -0.681 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.180 -1.227 7.288 1.00 0.00 H new ATOM 644 N GLU A 39 13.556 -4.268 7.901 1.00 0.00 N ATOM 645 CA GLU A 39 12.180 -4.423 8.482 1.00 0.00 C ATOM 646 C GLU A 39 11.587 -5.775 8.079 1.00 0.00 C ATOM 647 O GLU A 39 11.221 -6.579 8.913 1.00 0.00 O ATOM 648 CB GLU A 39 11.290 -3.301 7.941 1.00 0.00 C ATOM 649 CG GLU A 39 11.936 -1.945 8.241 1.00 0.00 C ATOM 650 CD GLU A 39 11.922 -1.696 9.750 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.789 -2.227 10.427 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.047 -0.980 10.205 1.00 0.00 O ATOM 0 H GLU A 39 13.581 -4.092 6.897 1.00 0.00 H new ATOM 0 HA GLU A 39 12.237 -4.372 9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.151 -3.419 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.302 -3.354 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.960 -1.928 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.396 -1.151 7.726 1.00 0.00 H new ATOM 659 N LEU A 40 11.486 -6.027 6.807 1.00 0.00 N ATOM 660 CA LEU A 40 10.908 -7.321 6.347 1.00 0.00 C ATOM 661 C LEU A 40 11.989 -8.409 6.418 1.00 0.00 C ATOM 662 O LEU A 40 12.035 -9.310 5.608 1.00 0.00 O ATOM 663 CB LEU A 40 10.372 -7.172 4.902 1.00 0.00 C ATOM 664 CG LEU A 40 9.888 -5.732 4.621 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.475 -5.619 3.150 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.678 -5.380 5.503 1.00 0.00 C ATOM 0 H LEU A 40 11.779 -5.393 6.063 1.00 0.00 H new ATOM 0 HA LEU A 40 10.077 -7.606 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.156 -7.438 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.550 -7.870 4.744 1.00 0.00 H new ATOM 0 HG LEU A 40 10.702 -5.042 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.132 -4.605 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.329 -5.849 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.669 -6.323 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.355 -4.362 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.862 -6.072 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.959 -5.457 6.553 1.00 0.00 H new ATOM 678 N SER A 41 12.855 -8.338 7.394 1.00 0.00 N ATOM 679 CA SER A 41 13.923 -9.372 7.525 1.00 0.00 C ATOM 680 C SER A 41 13.380 -10.574 8.310 1.00 0.00 C ATOM 681 O SER A 41 13.919 -11.661 8.248 1.00 0.00 O ATOM 682 CB SER A 41 15.123 -8.760 8.270 1.00 0.00 C ATOM 683 OG SER A 41 15.279 -9.387 9.539 1.00 0.00 O ATOM 0 H SER A 41 12.869 -7.608 8.107 1.00 0.00 H new ATOM 0 HA SER A 41 14.239 -9.707 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.031 -8.885 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.973 -7.688 8.401 1.00 0.00 H new ATOM 0 HG SER A 41 16.045 -8.994 10.006 1.00 0.00 H new ATOM 689 N HIS A 42 12.324 -10.383 9.058 1.00 0.00 N ATOM 690 CA HIS A 42 11.750 -11.510 9.856 1.00 0.00 C ATOM 691 C HIS A 42 10.654 -12.212 9.050 1.00 0.00 C ATOM 692 O HIS A 42 10.337 -13.359 9.294 1.00 0.00 O ATOM 693 CB HIS A 42 11.150 -10.952 11.152 1.00 0.00 C ATOM 694 CG HIS A 42 10.522 -12.066 11.944 1.00 0.00 C ATOM 695 ND1 HIS A 42 11.009 -13.365 11.910 1.00 0.00 N ATOM 696 CD2 HIS A 42 9.449 -12.091 12.802 1.00 0.00 C ATOM 697 CE1 HIS A 42 10.240 -14.109 12.727 1.00 0.00 C ATOM 698 NE2 HIS A 42 9.277 -13.379 13.293 1.00 0.00 N ATOM 0 H HIS A 42 11.833 -9.494 9.151 1.00 0.00 H new ATOM 0 HA HIS A 42 12.537 -12.227 10.090 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.926 -10.466 11.743 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.403 -10.192 10.920 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.834 -11.240 13.056 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.384 -15.165 12.902 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.564 -13.699 13.949 1.00 0.00 H new ATOM 707 N PHE A 43 10.070 -11.529 8.096 1.00 0.00 N ATOM 708 CA PHE A 43 8.984 -12.148 7.267 1.00 0.00 C ATOM 709 C PHE A 43 9.518 -12.458 5.863 1.00 0.00 C ATOM 710 O PHE A 43 9.387 -13.562 5.373 1.00 0.00 O ATOM 711 CB PHE A 43 7.803 -11.168 7.165 1.00 0.00 C ATOM 712 CG PHE A 43 6.967 -11.246 8.425 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.348 -10.532 9.566 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.814 -12.038 8.448 1.00 0.00 C ATOM 715 CE1 PHE A 43 6.574 -10.610 10.730 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.039 -12.116 9.611 1.00 0.00 C ATOM 717 CZ PHE A 43 5.419 -11.401 10.753 1.00 0.00 C ATOM 0 H PHE A 43 10.299 -10.565 7.853 1.00 0.00 H new ATOM 0 HA PHE A 43 8.652 -13.074 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.172 -10.152 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.192 -11.409 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.238 -9.921 9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.521 -12.590 7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.868 -10.059 11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.149 -12.727 9.627 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.822 -11.460 11.651 1.00 0.00 H new ATOM 727 N LEU A 44 10.113 -11.496 5.208 1.00 0.00 N ATOM 728 CA LEU A 44 10.645 -11.748 3.833 1.00 0.00 C ATOM 729 C LEU A 44 12.092 -12.244 3.946 1.00 0.00 C ATOM 730 O LEU A 44 12.888 -11.701 4.687 1.00 0.00 O ATOM 731 CB LEU A 44 10.607 -10.449 3.010 1.00 0.00 C ATOM 732 CG LEU A 44 9.196 -10.199 2.434 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.847 -11.261 1.368 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.142 -10.218 3.561 1.00 0.00 C ATOM 0 H LEU A 44 10.254 -10.550 5.562 1.00 0.00 H new ATOM 0 HA LEU A 44 10.032 -12.499 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.902 -9.608 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.330 -10.508 2.197 1.00 0.00 H new ATOM 0 HG LEU A 44 9.191 -9.216 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.849 -11.067 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.573 -11.214 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.873 -12.252 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.153 -10.040 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.156 -11.189 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.371 -9.438 4.287 1.00 0.00 H new ATOM 746 N GLU A 45 12.437 -13.275 3.223 1.00 0.00 N ATOM 747 CA GLU A 45 13.830 -13.806 3.300 1.00 0.00 C ATOM 748 C GLU A 45 14.829 -12.679 3.028 1.00 0.00 C ATOM 749 O GLU A 45 14.667 -11.898 2.112 1.00 0.00 O ATOM 750 CB GLU A 45 14.023 -14.926 2.262 1.00 0.00 C ATOM 751 CG GLU A 45 13.375 -14.531 0.925 1.00 0.00 C ATOM 752 CD GLU A 45 11.878 -14.857 0.950 1.00 0.00 C ATOM 753 OE1 GLU A 45 11.537 -16.002 0.708 1.00 0.00 O ATOM 754 OE2 GLU A 45 11.101 -13.953 1.209 1.00 0.00 O ATOM 0 H GLU A 45 11.817 -13.772 2.584 1.00 0.00 H new ATOM 0 HA GLU A 45 14.001 -14.209 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.086 -15.117 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.580 -15.852 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.520 -13.466 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.858 -15.064 0.106 1.00 0.00 H new ATOM 761 N GLU A 46 15.867 -12.594 3.818 1.00 0.00 N ATOM 762 CA GLU A 46 16.885 -11.526 3.604 1.00 0.00 C ATOM 763 C GLU A 46 17.588 -11.764 2.266 1.00 0.00 C ATOM 764 O GLU A 46 18.466 -12.596 2.157 1.00 0.00 O ATOM 765 CB GLU A 46 17.916 -11.574 4.736 1.00 0.00 C ATOM 766 CG GLU A 46 18.940 -10.453 4.549 1.00 0.00 C ATOM 767 CD GLU A 46 19.904 -10.441 5.738 1.00 0.00 C ATOM 768 OE1 GLU A 46 19.629 -11.129 6.706 1.00 0.00 O ATOM 769 OE2 GLU A 46 20.901 -9.742 5.658 1.00 0.00 O ATOM 0 H GLU A 46 16.053 -13.219 4.602 1.00 0.00 H new ATOM 0 HA GLU A 46 16.399 -10.550 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.418 -11.467 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.418 -12.541 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.492 -10.601 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.433 -9.492 4.468 1.00 0.00 H new ATOM 776 N ILE A 47 17.208 -11.047 1.243 1.00 0.00 N ATOM 777 CA ILE A 47 17.862 -11.250 -0.081 1.00 0.00 C ATOM 778 C ILE A 47 19.318 -10.782 -0.014 1.00 0.00 C ATOM 779 O ILE A 47 19.605 -9.693 0.439 1.00 0.00 O ATOM 780 CB ILE A 47 17.111 -10.455 -1.169 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.451 -8.956 -1.064 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.604 -10.655 -1.001 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.494 -8.125 -1.926 1.00 0.00 C ATOM 0 H ILE A 47 16.478 -10.335 1.266 1.00 0.00 H new ATOM 0 HA ILE A 47 17.834 -12.310 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 47 17.419 -10.818 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.385 -8.634 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.479 -8.787 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.074 -10.093 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.365 -11.714 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.297 -10.301 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.750 -7.069 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.580 -8.435 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.470 -8.280 -1.585 1.00 0.00 H new ATOM 795 N LYS A 48 20.236 -11.583 -0.488 1.00 0.00 N ATOM 796 CA LYS A 48 21.675 -11.177 -0.487 1.00 0.00 C ATOM 797 C LYS A 48 22.037 -10.757 -1.910 1.00 0.00 C ATOM 798 O LYS A 48 23.046 -10.126 -2.154 1.00 0.00 O ATOM 799 CB LYS A 48 22.543 -12.367 -0.061 1.00 0.00 C ATOM 800 CG LYS A 48 23.992 -11.903 0.164 1.00 0.00 C ATOM 801 CD LYS A 48 24.772 -12.953 0.970 1.00 0.00 C ATOM 802 CE LYS A 48 25.072 -14.172 0.094 1.00 0.00 C ATOM 803 NZ LYS A 48 25.833 -13.743 -1.114 1.00 0.00 N ATOM 0 H LYS A 48 20.051 -12.507 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 48 21.844 -10.355 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.147 -12.808 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.515 -13.142 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.480 -11.736 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.997 -10.951 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.703 -12.522 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.194 -13.256 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.648 -14.905 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.142 -14.657 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.429 -14.528 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.167 -13.472 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.435 -12.929 -0.874 1.00 0.00 H new ATOM 817 N GLU A 49 21.194 -11.110 -2.849 1.00 0.00 N ATOM 818 CA GLU A 49 21.427 -10.755 -4.284 1.00 0.00 C ATOM 819 C GLU A 49 20.292 -9.847 -4.759 1.00 0.00 C ATOM 820 O GLU A 49 19.142 -10.049 -4.422 1.00 0.00 O ATOM 821 CB GLU A 49 21.438 -12.034 -5.129 1.00 0.00 C ATOM 822 CG GLU A 49 22.755 -12.782 -4.915 1.00 0.00 C ATOM 823 CD GLU A 49 22.878 -13.192 -3.448 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.029 -13.939 -2.989 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.817 -12.751 -2.809 1.00 0.00 O ATOM 0 H GLU A 49 20.339 -11.639 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 49 22.383 -10.242 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.598 -12.671 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.317 -11.786 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.792 -13.664 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.595 -12.148 -5.198 1.00 0.00 H new ATOM 832 N GLN A 50 20.600 -8.849 -5.537 1.00 0.00 N ATOM 833 CA GLN A 50 19.533 -7.933 -6.026 1.00 0.00 C ATOM 834 C GLN A 50 18.726 -8.618 -7.130 1.00 0.00 C ATOM 835 O GLN A 50 17.650 -8.185 -7.486 1.00 0.00 O ATOM 836 CB GLN A 50 20.182 -6.663 -6.581 1.00 0.00 C ATOM 837 CG GLN A 50 20.819 -5.881 -5.433 1.00 0.00 C ATOM 838 CD GLN A 50 21.496 -4.623 -5.978 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.945 -4.601 -7.107 1.00 0.00 O ATOM 840 NE2 GLN A 50 21.592 -3.566 -5.217 1.00 0.00 N ATOM 0 H GLN A 50 21.543 -8.628 -5.856 1.00 0.00 H new ATOM 0 HA GLN A 50 18.865 -7.679 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.937 -6.921 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.435 -6.049 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.059 -5.608 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.550 -6.504 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.215 -3.584 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 50 22.044 -2.722 -5.570 1.00 0.00 H new ATOM 849 N GLU A 51 19.248 -9.671 -7.694 1.00 0.00 N ATOM 850 CA GLU A 51 18.538 -10.371 -8.799 1.00 0.00 C ATOM 851 C GLU A 51 17.054 -10.520 -8.496 1.00 0.00 C ATOM 852 O GLU A 51 16.223 -10.327 -9.360 1.00 0.00 O ATOM 853 CB GLU A 51 19.159 -11.755 -9.025 1.00 0.00 C ATOM 854 CG GLU A 51 20.569 -11.604 -9.604 1.00 0.00 C ATOM 855 CD GLU A 51 21.294 -12.949 -9.537 1.00 0.00 C ATOM 856 OE1 GLU A 51 21.041 -13.779 -10.395 1.00 0.00 O ATOM 857 OE2 GLU A 51 22.092 -13.126 -8.630 1.00 0.00 O ATOM 0 H GLU A 51 20.145 -10.080 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 51 18.644 -9.769 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.199 -12.303 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.537 -12.336 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.515 -11.259 -10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.125 -10.851 -9.045 1.00 0.00 H new ATOM 864 N VAL A 52 16.695 -10.839 -7.291 1.00 0.00 N ATOM 865 CA VAL A 52 15.248 -10.962 -6.986 1.00 0.00 C ATOM 866 C VAL A 52 14.682 -9.565 -6.849 1.00 0.00 C ATOM 867 O VAL A 52 13.577 -9.289 -7.273 1.00 0.00 O ATOM 868 CB VAL A 52 15.041 -11.763 -5.693 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.289 -13.247 -5.971 1.00 0.00 C ATOM 870 CG2 VAL A 52 16.024 -11.284 -4.622 1.00 0.00 C ATOM 0 H VAL A 52 17.329 -11.018 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 52 14.735 -11.495 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 52 14.020 -11.616 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.143 -13.818 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.591 -13.596 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.310 -13.385 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.872 -11.856 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.045 -11.428 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.856 -10.226 -4.421 1.00 0.00 H new ATOM 880 N VAL A 53 15.423 -8.671 -6.273 1.00 0.00 N ATOM 881 CA VAL A 53 14.911 -7.289 -6.131 1.00 0.00 C ATOM 882 C VAL A 53 14.693 -6.749 -7.544 1.00 0.00 C ATOM 883 O VAL A 53 13.891 -5.868 -7.775 1.00 0.00 O ATOM 884 CB VAL A 53 15.908 -6.436 -5.294 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.694 -5.449 -6.169 1.00 0.00 C ATOM 886 CG2 VAL A 53 15.150 -5.641 -4.226 1.00 0.00 C ATOM 0 H VAL A 53 16.356 -8.835 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 53 13.965 -7.253 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 53 16.611 -7.128 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.378 -4.874 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.263 -6.000 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.000 -4.771 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.856 -5.047 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.430 -4.980 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.625 -6.330 -3.564 1.00 0.00 H new ATOM 896 N ASP A 54 15.396 -7.301 -8.493 1.00 0.00 N ATOM 897 CA ASP A 54 15.220 -6.855 -9.898 1.00 0.00 C ATOM 898 C ASP A 54 13.955 -7.512 -10.438 1.00 0.00 C ATOM 899 O ASP A 54 13.211 -6.928 -11.201 1.00 0.00 O ATOM 900 CB ASP A 54 16.423 -7.283 -10.737 1.00 0.00 C ATOM 901 CG ASP A 54 17.707 -6.787 -10.073 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.666 -5.727 -9.470 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.709 -7.474 -10.177 1.00 0.00 O ATOM 0 H ASP A 54 16.084 -8.041 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 54 15.138 -5.769 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.446 -8.369 -10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.341 -6.876 -11.745 1.00 0.00 H new ATOM 908 N LYS A 55 13.701 -8.727 -10.033 1.00 0.00 N ATOM 909 CA LYS A 55 12.474 -9.426 -10.510 1.00 0.00 C ATOM 910 C LYS A 55 11.245 -8.805 -9.834 1.00 0.00 C ATOM 911 O LYS A 55 10.307 -8.401 -10.493 1.00 0.00 O ATOM 912 CB LYS A 55 12.568 -10.921 -10.171 1.00 0.00 C ATOM 913 CG LYS A 55 11.235 -11.642 -10.501 1.00 0.00 C ATOM 914 CD LYS A 55 10.398 -11.839 -9.220 1.00 0.00 C ATOM 915 CE LYS A 55 8.919 -11.999 -9.582 1.00 0.00 C ATOM 916 NZ LYS A 55 8.169 -12.514 -8.401 1.00 0.00 N ATOM 0 H LYS A 55 14.288 -9.264 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 55 12.382 -9.316 -11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.383 -11.376 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.803 -11.045 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.669 -11.058 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.441 -12.609 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.746 -12.719 -8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.528 -10.985 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.506 -11.041 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.812 -12.686 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.165 -12.622 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.557 -13.436 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.261 -11.843 -7.612 1.00 0.00 H new ATOM 930 N VAL A 56 11.242 -8.711 -8.529 1.00 0.00 N ATOM 931 CA VAL A 56 10.069 -8.098 -7.838 1.00 0.00 C ATOM 932 C VAL A 56 9.853 -6.693 -8.405 1.00 0.00 C ATOM 933 O VAL A 56 8.740 -6.275 -8.656 1.00 0.00 O ATOM 934 CB VAL A 56 10.321 -8.034 -6.319 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.283 -6.891 -5.982 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.994 -7.810 -5.586 1.00 0.00 C ATOM 0 H VAL A 56 11.994 -9.029 -7.917 1.00 0.00 H new ATOM 0 HA VAL A 56 9.178 -8.703 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 56 10.766 -8.977 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.449 -6.861 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.233 -7.053 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.852 -5.945 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.175 -7.765 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.548 -6.872 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.314 -8.633 -5.805 1.00 0.00 H new ATOM 946 N MET A 57 10.917 -5.967 -8.618 1.00 0.00 N ATOM 947 CA MET A 57 10.783 -4.595 -9.180 1.00 0.00 C ATOM 948 C MET A 57 10.186 -4.686 -10.586 1.00 0.00 C ATOM 949 O MET A 57 9.479 -3.803 -11.029 1.00 0.00 O ATOM 950 CB MET A 57 12.167 -3.943 -9.257 1.00 0.00 C ATOM 951 CG MET A 57 12.638 -3.529 -7.854 1.00 0.00 C ATOM 952 SD MET A 57 12.017 -1.870 -7.473 1.00 0.00 S ATOM 953 CE MET A 57 13.543 -0.955 -7.810 1.00 0.00 C ATOM 0 H MET A 57 11.873 -6.266 -8.427 1.00 0.00 H new ATOM 0 HA MET A 57 10.133 -3.996 -8.542 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.881 -4.639 -9.697 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.130 -3.070 -9.908 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.278 -4.243 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.727 -3.541 -7.806 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.387 0.103 -7.600 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.344 -1.337 -7.176 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.818 -1.080 -8.857 1.00 0.00 H new ATOM 963 N GLU A 58 10.466 -5.749 -11.287 1.00 0.00 N ATOM 964 CA GLU A 58 9.917 -5.903 -12.664 1.00 0.00 C ATOM 965 C GLU A 58 8.399 -6.011 -12.598 1.00 0.00 C ATOM 966 O GLU A 58 7.695 -5.589 -13.495 1.00 0.00 O ATOM 967 CB GLU A 58 10.481 -7.175 -13.300 1.00 0.00 C ATOM 968 CG GLU A 58 10.159 -7.180 -14.797 1.00 0.00 C ATOM 969 CD GLU A 58 11.021 -6.137 -15.511 1.00 0.00 C ATOM 970 OE1 GLU A 58 12.228 -6.313 -15.540 1.00 0.00 O ATOM 971 OE2 GLU A 58 10.461 -5.179 -16.019 1.00 0.00 O ATOM 0 H GLU A 58 11.052 -6.519 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 58 10.198 -5.036 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.559 -7.223 -13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.052 -8.055 -12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.345 -8.169 -15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.103 -6.962 -14.953 1.00 0.00 H new ATOM 978 N THR A 59 7.884 -6.583 -11.546 1.00 0.00 N ATOM 979 CA THR A 59 6.409 -6.730 -11.424 1.00 0.00 C ATOM 980 C THR A 59 5.811 -5.488 -10.767 1.00 0.00 C ATOM 981 O THR A 59 4.719 -5.067 -11.094 1.00 0.00 O ATOM 982 CB THR A 59 6.091 -7.951 -10.562 1.00 0.00 C ATOM 983 OG1 THR A 59 6.692 -9.104 -11.132 1.00 0.00 O ATOM 984 CG2 THR A 59 4.575 -8.145 -10.489 1.00 0.00 C ATOM 0 H THR A 59 8.423 -6.956 -10.764 1.00 0.00 H new ATOM 0 HA THR A 59 5.981 -6.853 -12.419 1.00 0.00 H new ATOM 0 HB THR A 59 6.484 -7.798 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.489 -9.886 -10.578 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.349 -9.016 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.116 -7.260 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.179 -8.297 -11.493 1.00 0.00 H new ATOM 992 N LEU A 60 6.505 -4.904 -9.828 1.00 0.00 N ATOM 993 CA LEU A 60 5.946 -3.695 -9.143 1.00 0.00 C ATOM 994 C LEU A 60 6.190 -2.441 -9.986 1.00 0.00 C ATOM 995 O LEU A 60 5.291 -1.647 -10.184 1.00 0.00 O ATOM 996 CB LEU A 60 6.603 -3.532 -7.760 1.00 0.00 C ATOM 997 CG LEU A 60 5.798 -4.288 -6.691 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.402 -3.642 -6.487 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.647 -5.757 -7.112 1.00 0.00 C ATOM 0 H LEU A 60 7.425 -5.205 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 60 4.871 -3.827 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.625 -3.910 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.661 -2.475 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 60 6.334 -4.233 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.853 -4.196 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.523 -2.607 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.848 -3.669 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.076 -6.296 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.124 -5.810 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.633 -6.210 -7.213 1.00 0.00 H new ATOM 1011 N ASP A 61 7.375 -2.235 -10.489 1.00 0.00 N ATOM 1012 CA ASP A 61 7.627 -1.019 -11.311 1.00 0.00 C ATOM 1013 C ASP A 61 6.640 -0.960 -12.468 1.00 0.00 C ATOM 1014 O ASP A 61 6.707 -1.722 -13.411 1.00 0.00 O ATOM 1015 CB ASP A 61 9.057 -1.076 -11.836 1.00 0.00 C ATOM 1016 CG ASP A 61 9.461 0.295 -12.364 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.648 1.200 -12.293 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.575 0.414 -12.836 1.00 0.00 O ATOM 0 H ASP A 61 8.177 -2.853 -10.367 1.00 0.00 H new ATOM 0 HA ASP A 61 7.495 -0.123 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.735 -1.385 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.135 -1.820 -12.629 1.00 0.00 H new ATOM 1023 N GLU A 62 5.724 -0.040 -12.385 1.00 0.00 N ATOM 1024 CA GLU A 62 4.707 0.119 -13.460 1.00 0.00 C ATOM 1025 C GLU A 62 5.243 1.105 -14.480 1.00 0.00 C ATOM 1026 O GLU A 62 5.193 0.875 -15.673 1.00 0.00 O ATOM 1027 CB GLU A 62 3.399 0.648 -12.859 1.00 0.00 C ATOM 1028 CG GLU A 62 2.340 0.808 -13.959 1.00 0.00 C ATOM 1029 CD GLU A 62 2.582 2.105 -14.735 1.00 0.00 C ATOM 1030 OE1 GLU A 62 2.264 3.157 -14.206 1.00 0.00 O ATOM 1031 OE2 GLU A 62 3.080 2.023 -15.846 1.00 0.00 O ATOM 0 H GLU A 62 5.635 0.617 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 62 4.508 -0.841 -13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.038 -0.038 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.575 1.607 -12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.378 -0.044 -14.638 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.344 0.820 -13.517 1.00 0.00 H new ATOM 1038 N ASP A 63 5.780 2.193 -14.018 1.00 0.00 N ATOM 1039 CA ASP A 63 6.344 3.180 -14.962 1.00 0.00 C ATOM 1040 C ASP A 63 7.675 2.632 -15.461 1.00 0.00 C ATOM 1041 O ASP A 63 8.339 3.234 -16.283 1.00 0.00 O ATOM 1042 CB ASP A 63 6.560 4.520 -14.250 1.00 0.00 C ATOM 1043 CG ASP A 63 7.333 4.296 -12.948 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.348 3.173 -12.474 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.895 5.255 -12.446 1.00 0.00 O ATOM 0 H ASP A 63 5.852 2.439 -13.031 1.00 0.00 H new ATOM 0 HA ASP A 63 5.663 3.345 -15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.111 5.202 -14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.599 4.988 -14.037 1.00 0.00 H new ATOM 1050 N GLY A 64 8.076 1.479 -14.976 1.00 0.00 N ATOM 1051 CA GLY A 64 9.364 0.905 -15.444 1.00 0.00 C ATOM 1052 C GLY A 64 10.460 1.935 -15.207 1.00 0.00 C ATOM 1053 O GLY A 64 11.288 2.182 -16.062 1.00 0.00 O ATOM 0 H GLY A 64 7.570 0.923 -14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.587 -0.017 -14.907 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.304 0.651 -16.502 1.00 0.00 H new ATOM 1057 N ASP A 65 10.465 2.555 -14.054 1.00 0.00 N ATOM 1058 CA ASP A 65 11.508 3.594 -13.769 1.00 0.00 C ATOM 1059 C ASP A 65 12.650 2.973 -12.973 1.00 0.00 C ATOM 1060 O ASP A 65 13.633 3.620 -12.673 1.00 0.00 O ATOM 1061 CB ASP A 65 10.888 4.737 -12.959 1.00 0.00 C ATOM 1062 CG ASP A 65 10.311 4.191 -11.652 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.371 2.989 -11.455 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.818 4.987 -10.869 1.00 0.00 O ATOM 0 H ASP A 65 9.798 2.390 -13.300 1.00 0.00 H new ATOM 0 HA ASP A 65 11.893 3.982 -14.712 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.642 5.495 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.103 5.222 -13.539 1.00 0.00 H new ATOM 1069 N GLY A 66 12.526 1.728 -12.614 1.00 0.00 N ATOM 1070 CA GLY A 66 13.606 1.081 -11.822 1.00 0.00 C ATOM 1071 C GLY A 66 13.488 1.568 -10.385 1.00 0.00 C ATOM 1072 O GLY A 66 14.252 1.192 -9.518 1.00 0.00 O ATOM 0 H GLY A 66 11.728 1.132 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.514 -0.004 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.584 1.334 -12.232 1.00 0.00 H new ATOM 1076 N GLU A 67 12.514 2.403 -10.138 1.00 0.00 N ATOM 1077 CA GLU A 67 12.285 2.944 -8.767 1.00 0.00 C ATOM 1078 C GLU A 67 10.835 2.673 -8.382 1.00 0.00 C ATOM 1079 O GLU A 67 10.044 2.239 -9.197 1.00 0.00 O ATOM 1080 CB GLU A 67 12.539 4.450 -8.765 1.00 0.00 C ATOM 1081 CG GLU A 67 14.022 4.722 -9.019 1.00 0.00 C ATOM 1082 CD GLU A 67 14.237 6.224 -9.213 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.639 6.776 -10.121 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.998 6.796 -8.449 1.00 0.00 O ATOM 0 H GLU A 67 11.856 2.739 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 67 12.960 2.468 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.934 4.932 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.239 4.878 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.618 4.364 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.357 4.178 -9.903 1.00 0.00 H new ATOM 1091 N CYS A 68 10.485 2.905 -7.143 1.00 0.00 N ATOM 1092 CA CYS A 68 9.083 2.639 -6.686 1.00 0.00 C ATOM 1093 C CYS A 68 8.459 3.890 -6.062 1.00 0.00 C ATOM 1094 O CYS A 68 8.678 4.186 -4.899 1.00 0.00 O ATOM 1095 CB CYS A 68 9.105 1.519 -5.641 1.00 0.00 C ATOM 1096 SG CYS A 68 10.260 0.230 -6.164 1.00 0.00 S ATOM 0 H CYS A 68 11.110 3.268 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 68 8.486 2.349 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.403 1.918 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.106 1.100 -5.520 1.00 0.00 H new ATOM 0 HG CYS A 68 9.997 -0.117 -7.389 1.00 0.00 H new ATOM 1102 N ASP A 69 7.690 4.632 -6.826 1.00 0.00 N ATOM 1103 CA ASP A 69 7.041 5.855 -6.271 1.00 0.00 C ATOM 1104 C ASP A 69 6.266 5.455 -5.014 1.00 0.00 C ATOM 1105 O ASP A 69 6.368 4.343 -4.560 1.00 0.00 O ATOM 1106 CB ASP A 69 6.077 6.445 -7.306 1.00 0.00 C ATOM 1107 CG ASP A 69 5.652 7.850 -6.870 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.387 8.464 -6.115 1.00 0.00 O ATOM 1109 OD2 ASP A 69 4.598 8.289 -7.301 1.00 0.00 O ATOM 0 H ASP A 69 7.487 4.441 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 69 7.795 6.604 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.558 6.486 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.201 5.805 -7.409 1.00 0.00 H new ATOM 1114 N PHE A 70 5.499 6.338 -4.438 1.00 0.00 N ATOM 1115 CA PHE A 70 4.752 5.970 -3.197 1.00 0.00 C ATOM 1116 C PHE A 70 3.502 5.134 -3.512 1.00 0.00 C ATOM 1117 O PHE A 70 3.060 4.347 -2.697 1.00 0.00 O ATOM 1118 CB PHE A 70 4.340 7.250 -2.447 1.00 0.00 C ATOM 1119 CG PHE A 70 4.028 8.359 -3.433 1.00 0.00 C ATOM 1120 CD1 PHE A 70 2.851 8.322 -4.188 1.00 0.00 C ATOM 1121 CD2 PHE A 70 4.921 9.427 -3.584 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.567 9.349 -5.097 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.637 10.455 -4.491 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.461 10.415 -5.248 1.00 0.00 C ATOM 0 H PHE A 70 5.356 7.293 -4.768 1.00 0.00 H new ATOM 0 HA PHE A 70 5.411 5.365 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.467 7.051 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.143 7.563 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.160 7.500 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.829 9.458 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.659 9.318 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.326 11.279 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.243 11.207 -5.949 1.00 0.00 H new ATOM 1134 N GLN A 71 2.902 5.319 -4.651 1.00 0.00 N ATOM 1135 CA GLN A 71 1.658 4.557 -4.959 1.00 0.00 C ATOM 1136 C GLN A 71 1.971 3.091 -5.267 1.00 0.00 C ATOM 1137 O GLN A 71 1.240 2.201 -4.866 1.00 0.00 O ATOM 1138 CB GLN A 71 0.893 5.205 -6.128 1.00 0.00 C ATOM 1139 CG GLN A 71 1.830 5.570 -7.288 1.00 0.00 C ATOM 1140 CD GLN A 71 2.314 4.301 -7.991 1.00 0.00 C ATOM 1141 OE1 GLN A 71 3.453 4.221 -8.406 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.491 3.300 -8.145 1.00 0.00 N ATOM 0 H GLN A 71 3.214 5.960 -5.380 1.00 0.00 H new ATOM 0 HA GLN A 71 1.022 4.588 -4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.124 4.520 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.383 6.102 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.309 6.213 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.683 6.135 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.535 3.368 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.804 2.450 -8.614 1.00 0.00 H new ATOM 1151 N GLU A 72 3.054 2.807 -5.940 1.00 0.00 N ATOM 1152 CA GLU A 72 3.382 1.381 -6.232 1.00 0.00 C ATOM 1153 C GLU A 72 4.271 0.840 -5.117 1.00 0.00 C ATOM 1154 O GLU A 72 4.173 -0.309 -4.738 1.00 0.00 O ATOM 1155 CB GLU A 72 4.067 1.273 -7.600 1.00 0.00 C ATOM 1156 CG GLU A 72 5.527 1.770 -7.535 1.00 0.00 C ATOM 1157 CD GLU A 72 5.935 2.370 -8.886 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.069 1.612 -9.832 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.104 3.578 -8.948 1.00 0.00 O ATOM 0 H GLU A 72 3.720 3.492 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 72 2.471 0.784 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.048 0.237 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.513 1.858 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.631 2.518 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.190 0.944 -7.279 1.00 0.00 H new ATOM 1166 N PHE A 73 5.125 1.651 -4.562 1.00 0.00 N ATOM 1167 CA PHE A 73 5.984 1.150 -3.453 1.00 0.00 C ATOM 1168 C PHE A 73 5.082 0.518 -2.403 1.00 0.00 C ATOM 1169 O PHE A 73 5.314 -0.577 -1.938 1.00 0.00 O ATOM 1170 CB PHE A 73 6.769 2.312 -2.836 1.00 0.00 C ATOM 1171 CG PHE A 73 7.416 1.904 -1.524 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.164 0.720 -1.433 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.280 2.730 -0.398 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.768 0.369 -0.223 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.891 2.375 0.807 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.632 1.197 0.893 1.00 0.00 C ATOM 0 H PHE A 73 5.266 2.627 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 73 6.695 0.415 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.536 2.647 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.101 3.157 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.273 0.081 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.703 3.640 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.341 -0.544 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.789 3.013 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.102 0.924 1.826 1.00 0.00 H new ATOM 1186 N MET A 74 4.030 1.181 -2.049 1.00 0.00 N ATOM 1187 CA MET A 74 3.108 0.585 -1.064 1.00 0.00 C ATOM 1188 C MET A 74 2.626 -0.733 -1.661 1.00 0.00 C ATOM 1189 O MET A 74 2.549 -1.745 -0.993 1.00 0.00 O ATOM 1190 CB MET A 74 1.940 1.556 -0.832 1.00 0.00 C ATOM 1191 CG MET A 74 1.226 1.272 0.515 1.00 0.00 C ATOM 1192 SD MET A 74 1.614 2.583 1.716 1.00 0.00 S ATOM 1193 CE MET A 74 -0.049 2.791 2.412 1.00 0.00 C ATOM 0 H MET A 74 3.770 2.104 -2.396 1.00 0.00 H new ATOM 0 HA MET A 74 3.586 0.403 -0.101 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.310 2.581 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.225 1.469 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.148 1.217 0.360 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.541 0.305 0.906 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.056 3.645 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.762 2.962 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.329 1.891 2.960 1.00 0.00 H new ATOM 1203 N ALA A 75 2.288 -0.715 -2.921 1.00 0.00 N ATOM 1204 CA ALA A 75 1.796 -1.975 -3.558 1.00 0.00 C ATOM 1205 C ALA A 75 2.789 -3.113 -3.283 1.00 0.00 C ATOM 1206 O ALA A 75 2.435 -4.273 -3.332 1.00 0.00 O ATOM 1207 CB ALA A 75 1.637 -1.783 -5.069 1.00 0.00 C ATOM 0 H ALA A 75 2.329 0.102 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 75 0.825 -2.228 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.278 -2.709 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.920 -0.985 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.600 -1.518 -5.505 1.00 0.00 H new ATOM 1213 N PHE A 76 4.026 -2.804 -2.979 1.00 0.00 N ATOM 1214 CA PHE A 76 4.994 -3.910 -2.690 1.00 0.00 C ATOM 1215 C PHE A 76 4.643 -4.504 -1.335 1.00 0.00 C ATOM 1216 O PHE A 76 4.490 -5.697 -1.189 1.00 0.00 O ATOM 1217 CB PHE A 76 6.448 -3.400 -2.670 1.00 0.00 C ATOM 1218 CG PHE A 76 7.360 -4.449 -2.045 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.409 -5.748 -2.574 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.152 -4.122 -0.932 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.247 -6.710 -1.993 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.987 -5.087 -0.356 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.036 -6.379 -0.885 1.00 0.00 C ATOM 0 H PHE A 76 4.402 -1.858 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 76 4.920 -4.661 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.778 -3.178 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.508 -2.470 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.801 -6.006 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.117 -3.124 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.284 -7.709 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.595 -4.832 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.682 -7.121 -0.440 1.00 0.00 H new ATOM 1233 N VAL A 77 4.496 -3.676 -0.350 1.00 0.00 N ATOM 1234 CA VAL A 77 4.139 -4.190 0.996 1.00 0.00 C ATOM 1235 C VAL A 77 2.874 -5.039 0.871 1.00 0.00 C ATOM 1236 O VAL A 77 2.703 -6.035 1.537 1.00 0.00 O ATOM 1237 CB VAL A 77 3.873 -3.008 1.935 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.669 -3.524 3.366 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.064 -2.034 1.904 1.00 0.00 C ATOM 0 H VAL A 77 4.607 -2.664 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 77 4.954 -4.792 1.399 1.00 0.00 H new ATOM 0 HB VAL A 77 2.975 -2.485 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.480 -2.683 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.818 -4.204 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.564 -4.052 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.867 -1.197 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.967 -2.553 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.203 -1.662 0.889 1.00 0.00 H new ATOM 1249 N SER A 78 1.988 -4.633 0.019 1.00 0.00 N ATOM 1250 CA SER A 78 0.719 -5.372 -0.179 1.00 0.00 C ATOM 1251 C SER A 78 0.999 -6.680 -0.915 1.00 0.00 C ATOM 1252 O SER A 78 0.292 -7.655 -0.767 1.00 0.00 O ATOM 1253 CB SER A 78 -0.219 -4.508 -1.009 1.00 0.00 C ATOM 1254 OG SER A 78 0.311 -4.376 -2.318 1.00 0.00 O ATOM 0 H SER A 78 2.091 -3.801 -0.562 1.00 0.00 H new ATOM 0 HA SER A 78 0.263 -5.598 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.210 -4.959 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.333 -3.527 -0.548 1.00 0.00 H new ATOM 0 HG SER A 78 1.272 -4.569 -2.303 1.00 0.00 H new ATOM 1260 N MET A 79 2.027 -6.704 -1.713 1.00 0.00 N ATOM 1261 CA MET A 79 2.359 -7.940 -2.471 1.00 0.00 C ATOM 1262 C MET A 79 2.948 -8.985 -1.530 1.00 0.00 C ATOM 1263 O MET A 79 2.730 -10.170 -1.691 1.00 0.00 O ATOM 1264 CB MET A 79 3.380 -7.612 -3.570 1.00 0.00 C ATOM 1265 CG MET A 79 3.560 -8.819 -4.516 1.00 0.00 C ATOM 1266 SD MET A 79 5.292 -8.919 -5.050 1.00 0.00 S ATOM 1267 CE MET A 79 4.996 -9.366 -6.779 1.00 0.00 C ATOM 0 H MET A 79 2.655 -5.917 -1.874 1.00 0.00 H new ATOM 0 HA MET A 79 1.449 -8.335 -2.923 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.046 -6.744 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.337 -7.349 -3.119 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.272 -9.739 -4.007 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.907 -8.716 -5.383 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.950 -9.478 -7.294 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.448 -10.307 -6.823 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.412 -8.583 -7.262 1.00 0.00 H new ATOM 1277 N VAL A 80 3.670 -8.563 -0.529 1.00 0.00 N ATOM 1278 CA VAL A 80 4.239 -9.540 0.433 1.00 0.00 C ATOM 1279 C VAL A 80 3.180 -9.761 1.498 1.00 0.00 C ATOM 1280 O VAL A 80 3.052 -10.833 2.056 1.00 0.00 O ATOM 1281 CB VAL A 80 5.557 -9.024 1.066 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.364 -8.221 0.047 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.274 -8.134 2.286 1.00 0.00 C ATOM 0 H VAL A 80 3.889 -7.585 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 80 4.493 -10.470 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 80 6.129 -9.896 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.285 -7.867 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.606 -8.855 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.777 -7.367 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.216 -7.787 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.676 -7.276 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.729 -8.707 3.036 1.00 0.00 H new ATOM 1293 N THR A 81 2.392 -8.752 1.764 1.00 0.00 N ATOM 1294 CA THR A 81 1.322 -8.934 2.771 1.00 0.00 C ATOM 1295 C THR A 81 0.306 -9.877 2.169 1.00 0.00 C ATOM 1296 O THR A 81 -0.248 -10.722 2.843 1.00 0.00 O ATOM 1297 CB THR A 81 0.639 -7.607 3.096 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.611 -6.659 3.497 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.377 -7.806 4.222 1.00 0.00 C ATOM 0 H THR A 81 2.445 -7.829 1.333 1.00 0.00 H new ATOM 0 HA THR A 81 1.746 -9.327 3.695 1.00 0.00 H new ATOM 0 HB THR A 81 0.122 -7.244 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.271 -6.544 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.860 -6.855 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.129 -8.530 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.134 -8.174 5.112 1.00 0.00 H new ATOM 1307 N THR A 82 0.046 -9.745 0.893 1.00 0.00 N ATOM 1308 CA THR A 82 -0.947 -10.642 0.247 1.00 0.00 C ATOM 1309 C THR A 82 -0.484 -12.097 0.356 1.00 0.00 C ATOM 1310 O THR A 82 -1.275 -12.988 0.589 1.00 0.00 O ATOM 1311 CB THR A 82 -1.073 -10.234 -1.222 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.225 -9.981 -1.748 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.932 -8.958 -1.338 1.00 0.00 C ATOM 0 H THR A 82 0.478 -9.057 0.277 1.00 0.00 H new ATOM 0 HA THR A 82 -1.914 -10.555 0.742 1.00 0.00 H new ATOM 0 HB THR A 82 -1.549 -11.038 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.892 -10.468 -1.221 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.019 -8.672 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.925 -9.150 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.460 -8.150 -0.779 1.00 0.00 H new ATOM 1321 N ALA A 83 0.790 -12.351 0.204 1.00 0.00 N ATOM 1322 CA ALA A 83 1.278 -13.754 0.317 1.00 0.00 C ATOM 1323 C ALA A 83 1.049 -14.240 1.748 1.00 0.00 C ATOM 1324 O ALA A 83 0.720 -15.387 1.982 1.00 0.00 O ATOM 1325 CB ALA A 83 2.772 -13.806 -0.010 1.00 0.00 C ATOM 0 H ALA A 83 1.507 -11.653 0.008 1.00 0.00 H new ATOM 0 HA ALA A 83 0.738 -14.392 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.127 -14.833 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.935 -13.447 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.320 -13.175 0.690 1.00 0.00 H new ATOM 1331 N CYS A 84 1.217 -13.372 2.707 1.00 0.00 N ATOM 1332 CA CYS A 84 1.007 -13.778 4.126 1.00 0.00 C ATOM 1333 C CYS A 84 -0.493 -13.926 4.399 1.00 0.00 C ATOM 1334 O CYS A 84 -0.902 -14.603 5.322 1.00 0.00 O ATOM 1335 CB CYS A 84 1.586 -12.709 5.051 1.00 0.00 C ATOM 1336 SG CYS A 84 3.288 -12.345 4.558 1.00 0.00 S ATOM 0 H CYS A 84 1.491 -12.399 2.570 1.00 0.00 H new ATOM 0 HA CYS A 84 1.506 -14.730 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.980 -11.804 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.561 -13.055 6.084 1.00 0.00 H new ATOM 0 HG CYS A 84 3.282 -11.532 3.544 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.314 -13.298 3.603 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.791 -13.394 3.808 1.00 0.00 C ATOM 1344 C HIS A 85 -3.337 -14.592 3.018 1.00 0.00 C ATOM 1345 O HIS A 85 -4.222 -15.289 3.470 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.443 -12.085 3.327 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.903 -12.294 3.013 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.423 -12.051 1.755 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.955 -12.728 3.780 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.736 -12.338 1.797 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.114 -12.755 3.008 1.00 0.00 N ATOM 0 H HIS A 85 -1.026 -12.719 2.814 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.020 -13.541 4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.338 -11.318 4.095 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.925 -11.721 2.440 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -4.905 -11.715 0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.894 -13.006 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.404 -12.243 0.954 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.819 -14.835 1.845 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.321 -15.985 1.042 1.00 0.00 C ATOM 1361 C GLU A 86 -2.794 -17.291 1.641 1.00 0.00 C ATOM 1362 O GLU A 86 -3.470 -18.300 1.648 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.839 -15.845 -0.406 1.00 0.00 C ATOM 1364 CG GLU A 86 -3.203 -17.104 -1.194 1.00 0.00 C ATOM 1365 CD GLU A 86 -3.022 -16.841 -2.690 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.526 -15.778 -3.028 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -3.384 -17.704 -3.472 1.00 0.00 O ATOM 0 H GLU A 86 -2.074 -14.290 1.410 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.411 -15.996 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.296 -14.970 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.760 -15.690 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.572 -17.936 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.234 -17.390 -0.987 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.595 -17.275 2.148 1.00 0.00 N ATOM 1375 CA PHE A 87 -1.021 -18.511 2.753 1.00 0.00 C ATOM 1376 C PHE A 87 -1.900 -18.961 3.921 1.00 0.00 C ATOM 1377 O PHE A 87 -2.285 -20.110 4.017 1.00 0.00 O ATOM 1378 CB PHE A 87 0.390 -18.216 3.264 1.00 0.00 C ATOM 1379 CG PHE A 87 0.935 -19.426 3.986 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.320 -20.559 3.258 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.058 -19.418 5.383 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.831 -21.679 3.923 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.568 -20.541 6.047 1.00 0.00 C ATOM 1384 CZ PHE A 87 1.955 -21.671 5.318 1.00 0.00 C ATOM 0 H PHE A 87 -0.985 -16.458 2.171 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.981 -19.300 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.042 -17.954 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.372 -17.358 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.222 -20.568 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.760 -18.546 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.130 -22.551 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.663 -20.535 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.349 -22.536 5.831 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.213 -18.065 4.814 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.058 -18.435 5.983 1.00 0.00 C ATOM 1396 C PHE A 88 -4.497 -18.692 5.525 1.00 0.00 C ATOM 1397 O PHE A 88 -5.182 -19.541 6.058 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.037 -17.291 7.000 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.961 -17.616 8.150 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.560 -18.530 9.133 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.217 -17.004 8.236 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -4.415 -18.831 10.199 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -6.073 -17.306 9.303 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.671 -18.220 10.284 1.00 0.00 C ATOM 0 H PHE A 88 -1.919 -17.089 4.785 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.666 -19.342 6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.023 -17.137 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.347 -16.361 6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.591 -19.002 9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.526 -16.298 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.105 -19.535 10.957 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.042 -16.834 9.369 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.330 -18.454 11.107 1.00 0.00 H new ATOM 1494 N GLU B 2 7.761 -1.188 11.974 1.00 0.00 N ATOM 1495 CA GLU B 2 6.562 -0.307 11.912 1.00 0.00 C ATOM 1496 C GLU B 2 5.798 -0.670 10.644 1.00 0.00 C ATOM 1497 O GLU B 2 4.589 -0.577 10.571 1.00 0.00 O ATOM 1498 CB GLU B 2 6.996 1.161 11.846 1.00 0.00 C ATOM 1499 CG GLU B 2 7.455 1.634 13.231 1.00 0.00 C ATOM 1500 CD GLU B 2 6.237 1.988 14.090 1.00 0.00 C ATOM 1501 OE1 GLU B 2 5.130 1.728 13.650 1.00 0.00 O ATOM 1502 OE2 GLU B 2 6.433 2.513 15.174 1.00 0.00 O ATOM 0 HA GLU B 2 5.939 -0.443 12.796 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.806 1.278 11.126 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.168 1.778 11.497 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.039 0.852 13.717 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.106 2.503 13.131 1.00 0.00 H new ATOM 1509 N LEU B 3 6.519 -1.104 9.651 1.00 0.00 N ATOM 1510 CA LEU B 3 5.892 -1.508 8.376 1.00 0.00 C ATOM 1511 C LEU B 3 5.237 -2.881 8.589 1.00 0.00 C ATOM 1512 O LEU B 3 4.280 -3.238 7.932 1.00 0.00 O ATOM 1513 CB LEU B 3 6.996 -1.567 7.316 1.00 0.00 C ATOM 1514 CG LEU B 3 6.469 -2.132 5.998 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.193 -1.383 5.580 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.550 -1.973 4.905 1.00 0.00 C ATOM 0 H LEU B 3 7.535 -1.195 9.675 1.00 0.00 H new ATOM 0 HA LEU B 3 5.126 -0.806 8.046 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.399 -0.568 7.151 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.817 -2.186 7.677 1.00 0.00 H new ATOM 0 HG LEU B 3 6.233 -3.188 6.126 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.823 -1.791 4.639 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.432 -1.502 6.351 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.418 -0.324 5.452 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.177 -2.375 3.963 1.00 0.00 H new ATOM 0 HD22 LEU B 3 7.788 -0.917 4.780 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.449 -2.515 5.200 1.00 0.00 H new ATOM 1528 N GLU B 4 5.730 -3.636 9.540 1.00 0.00 N ATOM 1529 CA GLU B 4 5.125 -4.965 9.839 1.00 0.00 C ATOM 1530 C GLU B 4 3.770 -4.718 10.495 1.00 0.00 C ATOM 1531 O GLU B 4 2.809 -5.426 10.274 1.00 0.00 O ATOM 1532 CB GLU B 4 6.032 -5.740 10.801 1.00 0.00 C ATOM 1533 CG GLU B 4 5.598 -7.208 10.845 1.00 0.00 C ATOM 1534 CD GLU B 4 6.068 -7.919 9.576 1.00 0.00 C ATOM 1535 OE1 GLU B 4 7.213 -7.724 9.201 1.00 0.00 O ATOM 1536 OE2 GLU B 4 5.276 -8.645 9.000 1.00 0.00 O ATOM 0 H GLU B 4 6.529 -3.385 10.123 1.00 0.00 H new ATOM 0 HA GLU B 4 5.008 -5.549 8.926 1.00 0.00 H new ATOM 0 HB2 GLU B 4 7.070 -5.667 10.477 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.978 -5.304 11.799 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.018 -7.696 11.724 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.513 -7.275 10.931 1.00 0.00 H new ATOM 1543 N LYS B 5 3.698 -3.704 11.307 1.00 0.00 N ATOM 1544 CA LYS B 5 2.408 -3.382 11.983 1.00 0.00 C ATOM 1545 C LYS B 5 1.385 -2.982 10.918 1.00 0.00 C ATOM 1546 O LYS B 5 0.222 -3.329 10.990 1.00 0.00 O ATOM 1547 CB LYS B 5 2.618 -2.199 12.959 1.00 0.00 C ATOM 1548 CG LYS B 5 2.893 -2.713 14.378 1.00 0.00 C ATOM 1549 CD LYS B 5 4.340 -3.256 14.487 1.00 0.00 C ATOM 1550 CE LYS B 5 5.296 -2.167 15.016 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.373 -2.253 16.503 1.00 0.00 N ATOM 0 H LYS B 5 4.475 -3.083 11.534 1.00 0.00 H new ATOM 0 HA LYS B 5 2.052 -4.250 12.539 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.453 -1.585 12.621 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.734 -1.562 12.962 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.745 -1.908 15.098 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.183 -3.500 14.630 1.00 0.00 H new ATOM 0 HD2 LYS B 5 4.360 -4.119 15.153 1.00 0.00 H new ATOM 0 HD3 LYS B 5 4.679 -3.600 13.510 1.00 0.00 H new ATOM 0 HE2 LYS B 5 6.287 -2.296 14.582 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.942 -1.181 14.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.017 -1.519 16.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.426 -2.110 16.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.729 -3.190 16.779 1.00 0.00 H new ATOM 1565 N ALA B 6 1.813 -2.230 9.955 1.00 0.00 N ATOM 1566 CA ALA B 6 0.879 -1.765 8.895 1.00 0.00 C ATOM 1567 C ALA B 6 0.316 -2.939 8.102 1.00 0.00 C ATOM 1568 O ALA B 6 -0.883 -3.116 8.015 1.00 0.00 O ATOM 1569 CB ALA B 6 1.621 -0.825 7.947 1.00 0.00 C ATOM 0 H ALA B 6 2.777 -1.912 9.852 1.00 0.00 H new ATOM 0 HA ALA B 6 0.049 -1.244 9.372 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.940 -0.482 7.168 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.996 0.033 8.505 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.457 -1.354 7.490 1.00 0.00 H new ATOM 1575 N MET B 7 1.153 -3.742 7.521 1.00 0.00 N ATOM 1576 CA MET B 7 0.623 -4.889 6.740 1.00 0.00 C ATOM 1577 C MET B 7 -0.298 -5.715 7.637 1.00 0.00 C ATOM 1578 O MET B 7 -1.290 -6.247 7.193 1.00 0.00 O ATOM 1579 CB MET B 7 1.766 -5.758 6.172 1.00 0.00 C ATOM 1580 CG MET B 7 2.929 -5.937 7.181 1.00 0.00 C ATOM 1581 SD MET B 7 4.515 -5.679 6.333 1.00 0.00 S ATOM 1582 CE MET B 7 4.388 -7.044 5.153 1.00 0.00 C ATOM 0 H MET B 7 2.169 -3.658 7.550 1.00 0.00 H new ATOM 0 HA MET B 7 0.058 -4.510 5.888 1.00 0.00 H new ATOM 0 HB2 MET B 7 1.373 -6.737 5.898 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.148 -5.300 5.259 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.824 -5.228 8.002 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.896 -6.936 7.616 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.364 -7.515 5.034 1.00 0.00 H new ATOM 0 HE2 MET B 7 3.673 -7.779 5.523 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.050 -6.662 4.190 1.00 0.00 H new ATOM 1592 N VAL B 8 0.003 -5.800 8.902 1.00 0.00 N ATOM 1593 CA VAL B 8 -0.884 -6.572 9.825 1.00 0.00 C ATOM 1594 C VAL B 8 -2.207 -5.802 9.992 1.00 0.00 C ATOM 1595 O VAL B 8 -3.284 -6.314 9.745 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.169 -6.720 11.186 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -1.184 -6.976 12.312 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.820 -7.890 11.119 1.00 0.00 C ATOM 0 H VAL B 8 0.820 -5.372 9.338 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.096 -7.563 9.424 1.00 0.00 H new ATOM 0 HB VAL B 8 0.363 -5.793 11.400 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.657 -7.077 13.261 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.881 -6.140 12.371 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.735 -7.893 12.104 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.325 -7.995 12.079 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.281 -8.809 10.890 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.558 -7.698 10.340 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.114 -4.575 10.412 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.341 -3.748 10.610 1.00 0.00 C ATOM 1610 C ALA B 9 -4.157 -3.713 9.308 1.00 0.00 C ATOM 1611 O ALA B 9 -5.368 -3.603 9.324 1.00 0.00 O ATOM 1612 CB ALA B 9 -2.937 -2.326 11.007 1.00 0.00 C ATOM 0 H ALA B 9 -1.236 -4.103 10.629 1.00 0.00 H new ATOM 0 HA ALA B 9 -3.950 -4.185 11.401 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.832 -1.721 11.152 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.365 -2.356 11.934 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.326 -1.888 10.218 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.498 -3.802 8.184 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.218 -3.765 6.874 1.00 0.00 C ATOM 1620 C LEU B 10 -4.912 -5.112 6.611 1.00 0.00 C ATOM 1621 O LEU B 10 -6.048 -5.152 6.200 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.193 -3.463 5.756 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.079 -1.927 5.506 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.618 -1.536 5.264 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.904 -1.529 4.273 1.00 0.00 C ATOM 0 H LEU B 10 -2.485 -3.899 8.115 1.00 0.00 H new ATOM 0 HA LEU B 10 -4.982 -2.988 6.894 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.218 -3.864 6.033 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.494 -3.964 4.836 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.457 -1.409 6.387 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.553 -0.462 5.091 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.021 -1.800 6.137 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.239 -2.068 4.391 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.817 -0.455 4.108 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.531 -2.062 3.398 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.950 -1.787 4.436 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.240 -6.207 6.834 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.864 -7.544 6.585 1.00 0.00 C ATOM 1639 C ILE B 11 -6.273 -7.556 7.186 1.00 0.00 C ATOM 1640 O ILE B 11 -7.178 -8.168 6.657 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.009 -8.640 7.256 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.780 -8.933 6.388 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.824 -9.934 7.421 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.784 -9.806 7.166 1.00 0.00 C ATOM 0 H ILE B 11 -3.281 -6.237 7.180 1.00 0.00 H new ATOM 0 HA ILE B 11 -4.919 -7.734 5.513 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.699 -8.285 8.239 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.084 -9.441 5.473 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.303 -7.999 6.091 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.205 -10.696 7.896 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.698 -9.737 8.042 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.147 -10.288 6.442 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.914 -10.009 6.542 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.469 -9.282 8.069 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.262 -10.747 7.440 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.458 -6.888 8.289 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.806 -6.869 8.921 1.00 0.00 C ATOM 1658 C ASP B 12 -8.750 -5.988 8.103 1.00 0.00 C ATOM 1659 O ASP B 12 -9.826 -6.406 7.725 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.700 -6.323 10.346 1.00 0.00 C ATOM 1661 CG ASP B 12 -8.996 -6.615 11.101 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -9.952 -5.886 10.899 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.011 -7.564 11.868 1.00 0.00 O ATOM 0 H ASP B 12 -5.738 -6.357 8.779 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.200 -7.885 8.952 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.856 -6.781 10.861 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.514 -5.249 10.323 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.360 -4.776 7.817 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.247 -3.887 7.014 1.00 0.00 C ATOM 1670 C VAL B 13 -9.239 -4.350 5.558 1.00 0.00 C ATOM 1671 O VAL B 13 -10.185 -4.141 4.827 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.770 -2.428 7.114 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.890 -1.485 6.660 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.408 -2.118 8.569 1.00 0.00 C ATOM 0 H VAL B 13 -7.471 -4.365 8.102 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.263 -3.942 7.404 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.898 -2.286 6.475 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.548 -0.453 6.732 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.156 -1.707 5.627 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.763 -1.624 7.298 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.069 -1.085 8.647 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.285 -2.261 9.200 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.612 -2.787 8.896 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.180 -4.980 5.126 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.141 -5.444 3.711 1.00 0.00 C ATOM 1686 C PHE B 14 -9.101 -6.627 3.526 1.00 0.00 C ATOM 1687 O PHE B 14 -9.924 -6.635 2.632 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.709 -5.867 3.341 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.722 -6.711 2.076 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.356 -6.235 0.920 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.114 -7.975 2.068 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.380 -7.018 -0.240 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.142 -8.757 0.908 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.775 -8.280 -0.245 1.00 0.00 C ATOM 0 H PHE B 14 -7.352 -5.191 5.683 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.451 -4.629 3.057 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.088 -4.984 3.191 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.266 -6.433 4.160 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.827 -5.263 0.924 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.624 -8.345 2.957 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.865 -6.648 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.674 -9.730 0.903 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.797 -8.886 -1.139 1.00 0.00 H new ATOM 1704 N HIS B 15 -8.987 -7.632 4.345 1.00 0.00 N ATOM 1705 CA HIS B 15 -9.873 -8.822 4.194 1.00 0.00 C ATOM 1706 C HIS B 15 -11.308 -8.483 4.617 1.00 0.00 C ATOM 1707 O HIS B 15 -12.256 -9.021 4.089 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.335 -9.968 5.061 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.880 -11.285 4.568 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.681 -12.098 5.357 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.745 -11.941 3.369 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.993 -13.186 4.628 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.447 -13.141 3.408 1.00 0.00 N ATOM 0 H HIS B 15 -8.319 -7.683 5.114 1.00 0.00 H new ATOM 0 HA HIS B 15 -9.883 -9.124 3.147 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.246 -9.980 5.028 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.620 -9.813 6.102 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.979 -11.907 6.314 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.179 -11.579 2.523 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.610 -13.997 4.985 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.487 -7.616 5.573 1.00 0.00 N ATOM 1722 CA GLN B 16 -12.853 -7.278 6.023 1.00 0.00 C ATOM 1723 C GLN B 16 -13.609 -6.529 4.914 1.00 0.00 C ATOM 1724 O GLN B 16 -14.760 -6.805 4.630 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.700 -6.405 7.264 1.00 0.00 C ATOM 1726 CG GLN B 16 -14.014 -5.732 7.623 1.00 0.00 C ATOM 1727 CD GLN B 16 -15.131 -6.775 7.727 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -15.745 -7.126 6.741 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -15.425 -7.284 8.893 1.00 0.00 N ATOM 0 H GLN B 16 -10.737 -7.127 6.061 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.428 -8.175 6.252 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.359 -7.014 8.101 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -11.936 -5.648 7.088 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.913 -5.201 8.570 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.269 -4.989 6.867 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.910 -6.990 9.723 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -16.170 -7.976 8.974 1.00 0.00 H new ATOM 1738 N TYR B 17 -12.968 -5.600 4.266 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.653 -4.851 3.178 1.00 0.00 C ATOM 1740 C TYR B 17 -13.500 -5.621 1.870 1.00 0.00 C ATOM 1741 O TYR B 17 -14.472 -5.990 1.242 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.033 -3.453 3.057 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.581 -2.571 4.157 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.045 -2.651 5.449 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.631 -1.685 3.889 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.560 -1.843 6.472 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.148 -0.881 4.912 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.611 -0.959 6.204 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.118 -0.165 7.211 1.00 0.00 O ATOM 0 H TYR B 17 -12.001 -5.327 4.442 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.714 -4.744 3.404 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -11.947 -3.516 3.131 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.262 -3.023 2.082 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.235 -3.335 5.657 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.043 -1.622 2.893 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.145 -1.903 7.467 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.961 -0.201 4.705 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.410 0.035 7.858 1.00 0.00 H new ATOM 1759 N SER B 18 -12.294 -5.888 1.460 1.00 0.00 N ATOM 1760 CA SER B 18 -12.101 -6.652 0.200 1.00 0.00 C ATOM 1761 C SER B 18 -12.854 -7.982 0.305 1.00 0.00 C ATOM 1762 O SER B 18 -13.311 -8.528 -0.678 1.00 0.00 O ATOM 1763 CB SER B 18 -10.611 -6.922 -0.014 1.00 0.00 C ATOM 1764 OG SER B 18 -10.231 -8.071 0.730 1.00 0.00 O ATOM 0 H SER B 18 -11.438 -5.612 1.940 1.00 0.00 H new ATOM 0 HA SER B 18 -12.484 -6.076 -0.643 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.406 -7.076 -1.073 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.024 -6.059 0.302 1.00 0.00 H new ATOM 0 HG SER B 18 -9.910 -7.797 1.614 1.00 0.00 H new ATOM 1770 N GLY B 19 -12.983 -8.510 1.496 1.00 0.00 N ATOM 1771 CA GLY B 19 -13.705 -9.807 1.673 1.00 0.00 C ATOM 1772 C GLY B 19 -15.189 -9.550 1.939 1.00 0.00 C ATOM 1773 O GLY B 19 -15.959 -10.472 2.115 1.00 0.00 O ATOM 0 H GLY B 19 -12.619 -8.098 2.355 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.589 -10.422 0.780 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.270 -10.364 2.503 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.612 -8.311 1.947 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.056 -8.027 2.175 1.00 0.00 C ATOM 1779 C ARG B 20 -17.848 -8.482 0.948 1.00 0.00 C ATOM 1780 O ARG B 20 -18.871 -9.126 1.062 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.256 -6.520 2.382 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.722 -6.222 2.731 1.00 0.00 C ATOM 1783 CD ARG B 20 -18.970 -4.712 2.662 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.273 -4.394 3.314 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.385 -4.452 4.615 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.357 -4.792 5.344 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.526 -4.171 5.183 1.00 0.00 N ATOM 0 H ARG B 20 -15.022 -7.491 1.806 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.403 -8.560 3.060 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.605 -6.166 3.181 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -16.973 -5.981 1.478 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.384 -6.741 2.038 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -18.951 -6.593 3.730 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.161 -4.176 3.160 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.980 -4.381 1.624 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.077 -4.131 2.744 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.466 -5.012 4.898 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -19.444 -4.837 6.359 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.329 -3.907 4.612 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -21.615 -4.216 6.198 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.384 -8.138 -0.227 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.109 -8.531 -1.477 1.00 0.00 C ATOM 1803 C GLU B 21 -17.107 -9.020 -2.532 1.00 0.00 C ATOM 1804 O GLU B 21 -15.909 -8.892 -2.374 1.00 0.00 O ATOM 1805 CB GLU B 21 -18.857 -7.310 -2.022 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.518 -6.551 -0.867 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.587 -5.604 -1.417 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.306 -6.012 -2.314 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.665 -4.487 -0.934 1.00 0.00 O ATOM 0 H GLU B 21 -16.531 -7.600 -0.376 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.812 -9.333 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.166 -6.655 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.612 -7.626 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.968 -7.255 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.768 -5.986 -0.314 1.00 0.00 H new ATOM 1816 N GLY B 22 -17.599 -9.576 -3.610 1.00 0.00 N ATOM 1817 CA GLY B 22 -16.694 -10.076 -4.689 1.00 0.00 C ATOM 1818 C GLY B 22 -16.305 -11.526 -4.402 1.00 0.00 C ATOM 1819 O GLY B 22 -16.843 -12.160 -3.517 1.00 0.00 O ATOM 0 H GLY B 22 -18.595 -9.706 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.192 -10.007 -5.656 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -15.801 -9.454 -4.746 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.368 -12.058 -5.141 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.941 -13.465 -4.902 1.00 0.00 C ATOM 1825 C ASP B 23 -14.684 -13.654 -3.408 1.00 0.00 C ATOM 1826 O ASP B 23 -15.364 -14.404 -2.735 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.657 -13.746 -5.683 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.175 -15.166 -5.384 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.003 -15.990 -5.032 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -11.985 -15.405 -5.511 1.00 0.00 O ATOM 0 H ASP B 23 -14.881 -11.579 -5.899 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.719 -14.152 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.837 -13.630 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.887 -13.025 -5.409 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.712 -12.962 -2.881 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.405 -13.077 -1.428 1.00 0.00 C ATOM 1837 C LYS B 24 -12.252 -12.119 -1.100 1.00 0.00 C ATOM 1838 O LYS B 24 -11.871 -11.959 0.040 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.011 -14.539 -1.081 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.793 -15.044 0.143 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.333 -14.302 1.402 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.220 -14.702 2.582 1.00 0.00 C ATOM 1843 NZ LYS B 24 -14.430 -16.176 2.571 1.00 0.00 N ATOM 0 H LYS B 24 -13.114 -12.318 -3.398 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.282 -12.814 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.209 -15.186 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.941 -14.594 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.861 -14.891 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.639 -16.116 0.266 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.292 -14.541 1.618 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.386 -13.225 1.242 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -13.755 -14.398 3.520 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -15.179 -14.187 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.711 -16.494 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -15.179 -16.415 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.547 -16.650 2.294 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.695 -11.477 -2.097 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.566 -10.534 -1.833 1.00 0.00 C ATOM 1859 C HIS B 25 -10.502 -9.452 -2.915 1.00 0.00 C ATOM 1860 O HIS B 25 -9.453 -9.199 -3.473 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.237 -11.308 -1.812 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.418 -12.645 -1.145 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.617 -12.773 0.224 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.403 -13.925 -1.643 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.711 -14.087 0.499 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.587 -14.829 -0.604 1.00 0.00 N ATOM 0 H HIS B 25 -11.971 -11.564 -3.075 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.733 -10.059 -0.867 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.875 -11.449 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.480 -10.730 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.269 -14.188 -2.682 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.867 -14.491 1.488 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.620 -15.846 -0.670 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.600 -8.796 -3.208 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.588 -7.714 -4.243 1.00 0.00 C ATOM 1876 C LYS B 26 -12.321 -6.505 -3.676 1.00 0.00 C ATOM 1877 O LYS B 26 -13.255 -6.638 -2.910 1.00 0.00 O ATOM 1878 CB LYS B 26 -12.298 -8.199 -5.512 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.401 -9.201 -6.258 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.398 -8.459 -7.175 1.00 0.00 C ATOM 1881 CE LYS B 26 -9.089 -9.256 -7.283 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.357 -10.558 -7.954 1.00 0.00 N ATOM 0 H LYS B 26 -12.507 -8.964 -2.773 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.561 -7.450 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.247 -8.669 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.528 -7.352 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.859 -9.816 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.017 -9.875 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.832 -8.322 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.195 -7.465 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -8.350 -8.688 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -8.670 -9.425 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.456 -11.032 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.926 -11.161 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.877 -10.392 -8.839 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.891 -5.321 -4.023 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.554 -4.093 -3.468 1.00 0.00 C ATOM 1898 C LEU B 27 -13.640 -3.567 -4.431 1.00 0.00 C ATOM 1899 O LEU B 27 -13.384 -3.286 -5.585 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.478 -2.999 -3.242 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.708 -2.241 -1.896 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.828 -2.833 -0.790 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.366 -0.755 -2.072 1.00 0.00 C ATOM 0 H LEU B 27 -11.115 -5.146 -4.662 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.035 -4.347 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.488 -3.455 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.500 -2.289 -4.069 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.755 -2.348 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -11.001 -2.293 0.141 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.077 -3.885 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.779 -2.743 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -11.528 -0.230 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -10.322 -0.655 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.005 -0.323 -2.842 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.845 -3.405 -3.935 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.964 -2.863 -4.771 1.00 0.00 C ATOM 1917 C LYS B 28 -16.319 -1.454 -4.273 1.00 0.00 C ATOM 1918 O LYS B 28 -16.055 -1.105 -3.143 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.192 -3.762 -4.621 1.00 0.00 C ATOM 1920 CG LYS B 28 -17.036 -5.021 -5.478 1.00 0.00 C ATOM 1921 CD LYS B 28 -18.379 -5.746 -5.532 1.00 0.00 C ATOM 1922 CE LYS B 28 -18.180 -7.179 -6.027 1.00 0.00 C ATOM 1923 NZ LYS B 28 -17.319 -7.177 -7.244 1.00 0.00 N ATOM 0 H LYS B 28 -15.103 -3.628 -2.974 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.658 -2.829 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.322 -4.040 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.088 -3.218 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.709 -4.756 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.271 -5.673 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.837 -5.754 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.062 -5.215 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -17.719 -7.783 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.145 -7.633 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.417 -8.086 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -17.613 -6.405 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.326 -7.039 -6.967 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.922 -0.645 -5.101 1.00 0.00 N ATOM 1938 CA LYS B 29 -17.292 0.730 -4.652 1.00 0.00 C ATOM 1939 C LYS B 29 -18.010 0.652 -3.297 1.00 0.00 C ATOM 1940 O LYS B 29 -17.733 1.419 -2.397 1.00 0.00 O ATOM 1941 CB LYS B 29 -18.221 1.377 -5.683 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.427 1.754 -6.941 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.236 2.745 -7.781 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.610 2.152 -8.097 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.246 2.932 -9.196 1.00 0.00 N ATOM 0 H LYS B 29 -17.174 -0.873 -6.063 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.388 1.331 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -19.025 0.688 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.688 2.265 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.470 2.195 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.207 0.861 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.350 3.685 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.705 2.971 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.508 1.107 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.241 2.174 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.817 2.296 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.858 3.669 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.508 3.377 -9.778 1.00 0.00 H new ATOM 1959 N SER B 30 -18.922 -0.273 -3.141 1.00 0.00 N ATOM 1960 CA SER B 30 -19.642 -0.396 -1.839 1.00 0.00 C ATOM 1961 C SER B 30 -18.616 -0.470 -0.711 1.00 0.00 C ATOM 1962 O SER B 30 -18.919 -0.236 0.437 1.00 0.00 O ATOM 1963 CB SER B 30 -20.481 -1.674 -1.833 1.00 0.00 C ATOM 1964 OG SER B 30 -21.610 -1.501 -2.681 1.00 0.00 O ATOM 0 H SER B 30 -19.198 -0.946 -3.856 1.00 0.00 H new ATOM 0 HA SER B 30 -20.293 0.467 -1.700 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.881 -2.518 -2.175 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.806 -1.904 -0.818 1.00 0.00 H new ATOM 0 HG SER B 30 -22.148 -2.320 -2.680 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.398 -0.785 -1.047 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.322 -0.872 -0.017 1.00 0.00 C ATOM 1972 C GLU B 31 -15.483 0.393 -0.061 1.00 0.00 C ATOM 1973 O GLU B 31 -15.072 0.900 0.955 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.446 -2.088 -0.301 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.307 -3.350 -0.263 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.483 -4.541 -0.747 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.276 -4.507 -0.572 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.070 -5.466 -1.284 1.00 0.00 O ATOM 0 H GLU B 31 -17.097 -0.988 -2.000 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.766 -0.975 0.973 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.970 -1.988 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.648 -2.156 0.438 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.665 -3.529 0.751 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.187 -3.222 -0.893 1.00 0.00 H new ATOM 1985 N LEU B 32 -15.225 0.914 -1.225 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.401 2.149 -1.305 1.00 0.00 C ATOM 1987 C LEU B 32 -15.191 3.319 -0.707 1.00 0.00 C ATOM 1988 O LEU B 32 -14.670 4.095 0.068 1.00 0.00 O ATOM 1989 CB LEU B 32 -14.015 2.418 -2.782 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.537 2.834 -2.886 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -12.110 2.892 -4.355 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.353 4.208 -2.251 1.00 0.00 C ATOM 0 H LEU B 32 -15.546 0.542 -2.119 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.480 2.030 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.190 1.523 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.650 3.203 -3.193 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.922 2.101 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -11.063 3.187 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.238 1.910 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.725 3.620 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.307 4.505 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.974 4.936 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.647 4.166 -1.202 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.440 3.438 -1.039 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.259 4.533 -0.470 1.00 0.00 C ATOM 2006 C LYS B 33 -17.531 4.223 1.006 1.00 0.00 C ATOM 2007 O LYS B 33 -17.581 5.103 1.841 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.563 4.574 -1.260 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.441 5.756 -0.821 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.900 5.488 -1.241 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.638 4.717 -0.139 1.00 0.00 C ATOM 2012 NZ LYS B 33 -21.650 5.524 1.114 1.00 0.00 N ATOM 0 H LYS B 33 -16.931 2.820 -1.684 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.754 5.497 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.344 4.656 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -19.107 3.640 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.380 5.889 0.259 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -19.083 6.679 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -21.409 6.432 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.919 4.917 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -22.659 4.501 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.149 3.759 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.522 5.328 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -20.826 5.273 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -21.610 6.536 0.876 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.719 2.970 1.321 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.003 2.591 2.740 1.00 0.00 C ATOM 2028 C GLU B 34 -16.702 2.552 3.537 1.00 0.00 C ATOM 2029 O GLU B 34 -16.674 2.861 4.713 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.677 1.219 2.790 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.127 0.914 4.222 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.658 -0.519 4.291 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -18.976 -1.405 3.804 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.737 -0.705 4.830 1.00 0.00 O ATOM 0 H GLU B 34 -17.689 2.193 0.661 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.671 3.334 3.177 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.535 1.200 2.118 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.985 0.451 2.445 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.292 1.038 4.912 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.902 1.616 4.529 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.622 2.183 2.914 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.329 2.139 3.646 1.00 0.00 C ATOM 2043 C LEU B 35 -13.879 3.569 3.922 1.00 0.00 C ATOM 2044 O LEU B 35 -13.287 3.864 4.941 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.276 1.422 2.793 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.898 1.508 3.466 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.972 0.998 4.910 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.902 0.655 2.678 1.00 0.00 C ATOM 0 H LEU B 35 -15.578 1.910 1.932 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.450 1.598 4.585 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.558 0.378 2.657 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.233 1.872 1.801 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.574 2.549 3.479 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.987 1.066 5.371 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.680 1.605 5.475 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.302 -0.041 4.913 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.921 0.711 3.150 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.240 -0.381 2.666 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.834 1.026 1.655 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.157 4.458 3.011 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.751 5.873 3.202 1.00 0.00 C ATOM 2062 C ILE B 36 -14.602 6.488 4.319 1.00 0.00 C ATOM 2063 O ILE B 36 -14.130 7.277 5.114 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.956 6.638 1.881 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.848 6.249 0.899 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.894 8.151 2.119 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.200 6.753 -0.501 1.00 0.00 C ATOM 0 H ILE B 36 -14.650 4.263 2.140 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.700 5.934 3.484 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.935 6.380 1.476 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.898 6.675 1.221 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.724 5.166 0.886 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.041 8.674 1.174 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.676 8.441 2.820 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.920 8.415 2.532 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.409 6.474 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.141 6.306 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.301 7.838 -0.482 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.856 6.138 4.371 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.755 6.705 5.419 1.00 0.00 C ATOM 2081 C ASN B 37 -16.593 5.969 6.759 1.00 0.00 C ATOM 2082 O ASN B 37 -16.934 6.494 7.801 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.207 6.573 4.961 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.133 7.143 6.036 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.709 7.917 6.871 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.390 6.790 6.052 1.00 0.00 N ATOM 0 H ASN B 37 -16.301 5.481 3.731 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.486 7.752 5.563 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.353 7.105 4.021 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.448 5.526 4.776 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -21.016 7.164 6.765 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.746 6.140 5.351 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.130 4.745 6.750 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.015 3.986 8.040 1.00 0.00 C ATOM 2095 C ASN B 38 -14.638 4.171 8.694 1.00 0.00 C ATOM 2096 O ASN B 38 -14.540 4.354 9.891 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.235 2.496 7.762 1.00 0.00 C ATOM 2098 CG ASN B 38 -17.667 2.263 7.276 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.266 3.185 6.574 1.00 0.00 O flip ATOM 2100 ND2 ASN B 38 -18.248 1.228 7.537 1.00 0.00 N flip ATOM 0 H ASN B 38 -15.829 4.240 5.917 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.769 4.373 8.726 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.526 2.149 7.011 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.050 1.917 8.667 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -17.782 0.506 8.086 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -19.202 1.082 7.207 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.577 4.101 7.934 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.203 4.242 8.527 1.00 0.00 C ATOM 2109 C GLU B 39 -11.608 5.601 8.161 1.00 0.00 C ATOM 2110 O GLU B 39 -11.249 6.383 9.018 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.311 3.135 7.960 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.961 1.773 8.217 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.956 1.480 9.718 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.825 1.991 10.405 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -11.083 0.749 10.154 1.00 0.00 O ATOM 0 H GLU B 39 -13.597 3.952 6.925 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.266 4.164 9.612 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.164 3.284 6.890 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.326 3.173 8.425 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.983 1.769 7.838 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.420 0.993 7.682 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.496 5.884 6.894 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.916 7.188 6.469 1.00 0.00 C ATOM 2124 C LEU B 40 -11.996 8.274 6.570 1.00 0.00 C ATOM 2125 O LEU B 40 -12.041 9.194 5.782 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.389 7.078 5.020 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.901 5.649 4.709 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.451 5.578 3.250 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.711 5.285 5.604 1.00 0.00 C ATOM 0 H LEU B 40 -11.781 5.268 6.133 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.082 7.453 7.119 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.179 7.355 4.321 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.571 7.784 4.873 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.719 4.952 4.892 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.105 4.569 3.025 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.288 5.828 2.598 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.639 6.286 3.085 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.378 4.273 5.373 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.895 5.985 5.427 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.013 5.337 6.650 1.00 0.00 H new ATOM 2141 N SER B 41 -12.867 8.179 7.541 1.00 0.00 N ATOM 2142 CA SER B 41 -13.937 9.209 7.690 1.00 0.00 C ATOM 2143 C SER B 41 -13.399 10.392 8.508 1.00 0.00 C ATOM 2144 O SER B 41 -13.937 11.480 8.468 1.00 0.00 O ATOM 2145 CB SER B 41 -15.143 8.579 8.412 1.00 0.00 C ATOM 2146 OG SER B 41 -15.314 9.180 9.693 1.00 0.00 O ATOM 0 H SER B 41 -12.883 7.433 8.237 1.00 0.00 H new ATOM 0 HA SER B 41 -14.247 9.567 6.708 1.00 0.00 H new ATOM 0 HB2 SER B 41 -16.045 8.713 7.815 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.991 7.505 8.523 1.00 0.00 H new ATOM 0 HG SER B 41 -16.084 8.775 10.144 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.346 10.183 9.255 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.776 11.288 10.084 1.00 0.00 C ATOM 2154 C HIS B 42 -10.675 12.010 9.301 1.00 0.00 C ATOM 2155 O HIS B 42 -10.359 13.151 9.573 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.184 10.697 11.368 1.00 0.00 C ATOM 2157 CG HIS B 42 -10.562 11.791 12.195 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -11.050 13.091 12.196 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -9.491 11.792 13.057 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -10.282 13.812 13.035 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -9.321 13.067 13.583 1.00 0.00 N ATOM 0 H HIS B 42 -11.855 9.292 9.327 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.564 12.000 10.332 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.963 10.194 11.941 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.435 9.945 11.121 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -8.877 10.935 13.289 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -10.426 14.863 13.239 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -8.610 13.370 14.249 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.085 11.351 8.332 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.994 11.990 7.526 1.00 0.00 C ATOM 2172 C PHE B 43 -9.519 12.337 6.128 1.00 0.00 C ATOM 2173 O PHE B 43 -9.373 13.452 5.664 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.814 11.013 7.406 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.985 11.058 8.672 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.374 10.313 9.793 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.831 11.848 8.722 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -6.607 10.361 10.965 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.064 11.895 9.892 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.452 11.151 11.014 1.00 0.00 C ATOM 0 H PHE B 43 -10.313 10.394 8.063 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.664 12.903 8.021 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.183 10.001 7.237 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.198 11.276 6.546 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.264 9.702 9.754 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.532 12.422 7.857 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -6.907 9.789 11.830 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.173 12.505 9.930 1.00 0.00 H new ATOM 0 HZ PHE B 43 -4.860 11.187 11.917 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.121 11.398 5.446 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.641 11.687 4.076 1.00 0.00 C ATOM 2192 C LEU B 44 -12.088 12.178 4.191 1.00 0.00 C ATOM 2193 O LEU B 44 -12.887 11.613 4.910 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.595 10.411 3.217 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.182 10.172 2.643 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.822 11.261 1.610 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.133 10.151 3.776 1.00 0.00 C ATOM 0 H LEU B 44 -10.275 10.446 5.777 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.024 12.452 3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.895 9.554 3.819 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.312 10.494 2.401 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.179 9.203 2.144 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.822 11.074 1.218 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.543 11.239 0.792 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.846 12.240 2.089 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.143 9.981 3.352 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.144 11.107 4.300 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.370 9.350 4.476 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.427 13.231 3.497 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.822 13.760 3.579 1.00 0.00 C ATOM 2211 C GLU B 45 -14.821 12.641 3.274 1.00 0.00 C ATOM 2212 O GLU B 45 -14.656 11.885 2.338 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.009 14.904 2.568 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.351 14.541 1.226 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.855 14.868 1.269 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -11.513 16.021 1.064 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -11.077 13.960 1.510 1.00 0.00 O ATOM 0 H GLU B 45 -11.802 13.747 2.878 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.998 14.137 4.586 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -15.071 15.098 2.420 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.570 15.821 2.960 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -13.494 13.481 1.017 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.829 15.093 0.417 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.863 12.539 4.054 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.879 11.479 3.806 1.00 0.00 C ATOM 2226 C GLU B 46 -17.572 11.751 2.469 1.00 0.00 C ATOM 2227 O GLU B 46 -18.445 12.589 2.375 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.918 11.500 4.931 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.940 10.384 4.709 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.910 10.336 5.891 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -19.640 10.997 6.881 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -20.908 9.640 5.787 1.00 0.00 O ATOM 0 H GLU B 46 -16.054 13.145 4.852 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.394 10.503 3.776 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -17.427 11.370 5.895 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.421 12.467 4.957 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -19.488 10.557 3.783 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.431 9.426 4.604 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.190 11.057 1.432 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.833 11.294 0.109 1.00 0.00 C ATOM 2241 C ILE B 47 -19.291 10.827 0.156 1.00 0.00 C ATOM 2242 O ILE B 47 -19.583 9.725 0.581 1.00 0.00 O ATOM 2243 CB ILE B 47 -17.075 10.526 -0.993 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.418 9.023 -0.930 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.570 10.717 -0.801 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.472 8.218 -1.828 1.00 0.00 C ATOM 0 H ILE B 47 -16.465 10.340 1.443 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.801 12.360 -0.117 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.374 10.914 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.341 8.669 0.098 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.450 8.866 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -15.032 10.175 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.327 11.778 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.277 10.335 0.177 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.729 7.160 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.569 8.560 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.444 8.360 -1.494 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.204 11.641 -0.300 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.645 11.237 -0.315 1.00 0.00 C ATOM 2260 C LYS B 48 -22.002 10.854 -1.751 1.00 0.00 C ATOM 2261 O LYS B 48 -23.010 10.230 -2.017 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.512 12.415 0.138 1.00 0.00 C ATOM 2263 CG LYS B 48 -23.963 11.945 0.343 1.00 0.00 C ATOM 2264 CD LYS B 48 -24.747 12.972 1.172 1.00 0.00 C ATOM 2265 CE LYS B 48 -25.050 14.210 0.323 1.00 0.00 C ATOM 2266 NZ LYS B 48 -25.798 13.805 -0.903 1.00 0.00 N ATOM 0 H LYS B 48 -20.015 12.574 -0.665 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.818 10.398 0.359 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.120 12.831 1.066 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.479 13.210 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -24.446 11.804 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -23.971 10.979 0.847 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -25.677 12.529 1.529 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -24.171 13.257 2.052 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -25.637 14.924 0.900 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -24.122 14.710 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -26.410 14.588 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -25.124 13.574 -1.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -26.382 12.970 -0.693 1.00 0.00 H new ATOM 2280 N GLU B 49 -21.154 11.229 -2.677 1.00 0.00 N ATOM 2281 CA GLU B 49 -21.379 10.914 -4.123 1.00 0.00 C ATOM 2282 C GLU B 49 -20.242 10.018 -4.615 1.00 0.00 C ATOM 2283 O GLU B 49 -19.095 10.209 -4.262 1.00 0.00 O ATOM 2284 CB GLU B 49 -21.383 12.212 -4.934 1.00 0.00 C ATOM 2285 CG GLU B 49 -22.699 12.959 -4.710 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.833 13.328 -3.232 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.994 14.069 -2.748 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.776 12.867 -2.611 1.00 0.00 O ATOM 0 H GLU B 49 -20.298 11.751 -2.488 1.00 0.00 H new ATOM 0 HA GLU B 49 -22.336 10.407 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.543 12.840 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -21.256 11.990 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.727 13.859 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -23.539 12.337 -5.018 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.545 9.044 -5.421 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.477 8.139 -5.925 1.00 0.00 C ATOM 2297 C GLN B 50 -18.662 8.852 -7.010 1.00 0.00 C ATOM 2298 O GLN B 50 -17.585 8.423 -7.372 1.00 0.00 O ATOM 2299 CB GLN B 50 -20.125 6.884 -6.515 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.761 6.066 -5.390 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.436 4.825 -5.976 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.876 4.837 -7.109 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.536 3.748 -5.249 1.00 0.00 N ATOM 0 H GLN B 50 -21.486 8.834 -5.754 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.814 7.863 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.881 7.162 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.378 6.286 -7.037 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -20.001 5.771 -4.667 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.492 6.672 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -21.167 3.738 -4.298 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -21.984 2.915 -5.631 1.00 0.00 H new ATOM 2312 N GLU B 51 -19.179 9.919 -7.549 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.459 10.645 -8.632 1.00 0.00 C ATOM 2314 C GLU B 51 -16.980 10.785 -8.315 1.00 0.00 C ATOM 2315 O GLU B 51 -16.141 10.617 -9.178 1.00 0.00 O ATOM 2316 CB GLU B 51 -19.075 12.034 -8.832 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.490 11.895 -9.400 1.00 0.00 C ATOM 2318 CD GLU B 51 -21.212 13.243 -9.316 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.951 14.087 -10.159 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -22.012 13.408 -8.409 1.00 0.00 O ATOM 0 H GLU B 51 -20.077 10.323 -7.284 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.559 10.063 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.105 12.569 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.457 12.622 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.446 11.559 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -21.044 11.139 -8.843 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.630 11.069 -7.100 1.00 0.00 N ATOM 2328 CA VAL B 52 -15.185 11.185 -6.783 1.00 0.00 C ATOM 2329 C VAL B 52 -14.619 9.785 -6.683 1.00 0.00 C ATOM 2330 O VAL B 52 -13.513 9.520 -7.109 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.988 11.947 -5.466 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.209 13.443 -5.705 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.993 11.454 -4.421 1.00 0.00 C ATOM 0 H VAL B 52 -17.270 11.224 -6.321 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.667 11.742 -7.564 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.975 11.774 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.069 13.985 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.493 13.803 -6.444 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.222 13.607 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.846 12.000 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -17.007 11.622 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.842 10.389 -4.245 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.364 8.878 -6.133 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.851 7.494 -6.026 1.00 0.00 C ATOM 2345 C VAL B 53 -14.627 6.993 -7.451 1.00 0.00 C ATOM 2346 O VAL B 53 -13.821 6.121 -7.703 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.856 6.619 -5.218 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.642 5.660 -6.124 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -15.105 5.794 -4.168 1.00 0.00 C ATOM 0 H VAL B 53 -16.299 9.033 -5.755 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.908 7.443 -5.482 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.561 7.299 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.330 5.070 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -17.206 6.234 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.948 4.994 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.815 5.185 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.383 5.145 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.583 6.464 -3.485 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.328 7.569 -8.388 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.143 7.160 -9.804 1.00 0.00 C ATOM 2361 C ASP B 54 -13.874 7.828 -10.317 1.00 0.00 C ATOM 2362 O ASP B 54 -13.124 7.263 -11.087 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.342 7.616 -10.635 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.630 7.099 -9.994 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.594 6.023 -9.421 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.633 7.788 -10.086 1.00 0.00 O ATOM 0 H ASP B 54 -16.019 8.303 -8.233 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.062 6.076 -9.882 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.364 8.704 -10.695 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.255 7.242 -11.655 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.624 9.033 -9.881 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.393 9.743 -10.332 1.00 0.00 C ATOM 2373 C LYS B 55 -11.167 9.102 -9.668 1.00 0.00 C ATOM 2374 O LYS B 55 -10.225 8.717 -10.333 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.488 11.227 -9.948 1.00 0.00 C ATOM 2376 CG LYS B 55 -11.154 11.957 -10.253 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.321 12.118 -8.966 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.842 12.291 -9.320 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.091 12.762 -8.121 1.00 0.00 N ATOM 0 H LYS B 55 -14.216 9.555 -9.235 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.296 9.664 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.301 11.699 -10.499 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.725 11.319 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.585 11.394 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.359 12.936 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.672 12.982 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.451 11.245 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.429 11.345 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.734 13.008 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.087 12.879 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.479 13.674 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.183 12.063 -7.357 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.170 8.971 -8.366 1.00 0.00 N ATOM 2394 CA VAL B 56 -10.001 8.340 -7.685 1.00 0.00 C ATOM 2395 C VAL B 56 -9.786 6.949 -8.283 1.00 0.00 C ATOM 2396 O VAL B 56 -8.673 6.533 -8.536 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.260 8.244 -6.168 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -11.218 7.089 -5.856 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.938 8.011 -5.431 1.00 0.00 C ATOM 0 H VAL B 56 -11.925 9.271 -7.750 1.00 0.00 H new ATOM 0 HA VAL B 56 -9.107 8.946 -7.836 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.711 9.180 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.388 7.038 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -12.167 7.255 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.781 6.151 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.126 7.944 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.486 7.082 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.260 8.841 -5.629 1.00 0.00 H new ATOM 2409 N MET B 57 -10.851 6.233 -8.525 1.00 0.00 N ATOM 2410 CA MET B 57 -10.716 4.876 -9.122 1.00 0.00 C ATOM 2411 C MET B 57 -10.112 5.003 -10.521 1.00 0.00 C ATOM 2412 O MET B 57 -9.404 4.132 -10.986 1.00 0.00 O ATOM 2413 CB MET B 57 -12.100 4.224 -9.220 1.00 0.00 C ATOM 2414 CG MET B 57 -12.573 3.780 -7.826 1.00 0.00 C ATOM 2415 SD MET B 57 -11.962 2.107 -7.491 1.00 0.00 S ATOM 2416 CE MET B 57 -13.486 1.207 -7.873 1.00 0.00 C ATOM 0 H MET B 57 -11.808 6.530 -8.335 1.00 0.00 H new ATOM 0 HA MET B 57 -10.069 4.260 -8.497 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.813 4.929 -9.648 1.00 0.00 H new ATOM 0 HB3 MET B 57 -12.060 3.365 -9.890 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.207 4.472 -7.068 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.662 3.799 -7.776 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.370 0.160 -7.594 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.315 1.642 -7.314 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.692 1.277 -8.941 1.00 0.00 H new ATOM 2426 N GLU B 58 -10.385 6.087 -11.194 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.828 6.277 -12.563 1.00 0.00 C ATOM 2428 C GLU B 58 -8.308 6.379 -12.487 1.00 0.00 C ATOM 2429 O GLU B 58 -7.601 5.978 -13.391 1.00 0.00 O ATOM 2430 CB GLU B 58 -10.384 7.565 -13.172 1.00 0.00 C ATOM 2431 CG GLU B 58 -10.053 7.609 -14.666 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.910 6.584 -15.411 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -12.117 6.762 -15.443 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -10.346 5.639 -15.937 1.00 0.00 O ATOM 0 H GLU B 58 -10.970 6.850 -10.854 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.110 5.427 -13.184 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -11.463 7.612 -13.026 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.956 8.432 -12.668 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.238 8.608 -15.061 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.995 7.395 -14.821 1.00 0.00 H new ATOM 2441 N THR B 59 -7.798 6.925 -11.418 1.00 0.00 N ATOM 2442 CA THR B 59 -6.323 7.066 -11.283 1.00 0.00 C ATOM 2443 C THR B 59 -5.731 5.806 -10.657 1.00 0.00 C ATOM 2444 O THR B 59 -4.638 5.395 -10.990 1.00 0.00 O ATOM 2445 CB THR B 59 -6.008 8.265 -10.388 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.611 9.433 -10.928 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.494 8.452 -10.316 1.00 0.00 C ATOM 0 H THR B 59 -8.341 7.280 -10.631 1.00 0.00 H new ATOM 0 HA THR B 59 -5.889 7.215 -12.272 1.00 0.00 H new ATOM 0 HB THR B 59 -6.402 8.090 -9.387 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.410 10.201 -10.353 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.263 9.306 -9.679 1.00 0.00 H new ATOM 0 HG22 THR B 59 -4.036 7.555 -9.900 1.00 0.00 H new ATOM 0 HG23 THR B 59 -4.101 8.629 -11.317 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.429 5.197 -9.737 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.874 3.972 -9.083 1.00 0.00 C ATOM 2457 C LEU B 60 -6.115 2.740 -9.961 1.00 0.00 C ATOM 2458 O LEU B 60 -5.217 1.951 -10.175 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.532 3.771 -7.709 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.736 4.510 -6.620 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.347 3.854 -6.409 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.568 5.984 -7.021 1.00 0.00 C ATOM 0 H LEU B 60 -7.350 5.489 -9.411 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.800 4.102 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.557 4.140 -7.732 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.581 2.708 -7.474 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.286 4.447 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.803 4.394 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.478 2.816 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.782 3.890 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.004 6.509 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.031 6.045 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.549 6.446 -7.130 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.297 2.547 -10.474 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.544 1.352 -11.329 1.00 0.00 C ATOM 2476 C ASP B 61 -6.551 1.324 -12.479 1.00 0.00 C ATOM 2477 O ASP B 61 -6.612 2.111 -13.403 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.969 1.427 -11.862 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.375 0.069 -12.427 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.566 -0.842 -12.373 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.488 -0.035 -12.908 1.00 0.00 O ATOM 0 H ASP B 61 -8.100 3.161 -10.340 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.417 0.440 -10.746 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.652 1.719 -11.064 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -9.039 2.190 -12.637 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.637 0.403 -12.415 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.613 0.273 -13.488 1.00 0.00 C ATOM 2488 C GLU B 62 -5.144 -0.684 -14.537 1.00 0.00 C ATOM 2489 O GLU B 62 -5.089 -0.423 -15.722 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.308 -0.270 -12.894 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.242 -0.400 -13.992 1.00 0.00 C ATOM 2492 CD GLU B 62 -2.478 -1.680 -14.802 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -2.164 -2.745 -14.296 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.969 -1.571 -15.913 1.00 0.00 O ATOM 0 H GLU B 62 -5.553 -0.274 -11.657 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.411 1.245 -13.938 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.952 0.396 -12.108 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.486 -1.241 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.278 0.468 -14.650 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.248 -0.421 -13.545 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.682 -1.784 -14.109 1.00 0.00 N ATOM 2502 CA ASP B 63 -6.243 -2.744 -15.081 1.00 0.00 C ATOM 2503 C ASP B 63 -7.572 -2.185 -15.574 1.00 0.00 C ATOM 2504 O ASP B 63 -8.232 -2.768 -16.411 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.460 -4.102 -14.405 1.00 0.00 C ATOM 2506 CG ASP B 63 -7.244 -3.913 -13.104 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.258 -2.803 -12.597 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.815 -4.883 -12.633 1.00 0.00 O ATOM 0 H ASP B 63 -5.757 -2.058 -13.129 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.559 -2.885 -15.918 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -7.003 -4.769 -15.074 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.499 -4.573 -14.196 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.974 -1.044 -15.062 1.00 0.00 N ATOM 2514 CA GLY B 64 -9.264 -0.456 -15.521 1.00 0.00 C ATOM 2515 C GLY B 64 -10.362 -1.492 -15.317 1.00 0.00 C ATOM 2516 O GLY B 64 -11.188 -1.713 -16.181 1.00 0.00 O ATOM 0 H GLY B 64 -7.470 -0.505 -14.357 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.489 0.451 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -9.200 -0.173 -16.572 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.372 -2.143 -14.182 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.415 -3.190 -13.930 1.00 0.00 C ATOM 2522 C ASP B 65 -12.563 -2.589 -13.122 1.00 0.00 C ATOM 2523 O ASP B 65 -13.547 -3.244 -12.844 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.798 -4.354 -13.149 1.00 0.00 C ATOM 2525 CG ASP B 65 -10.234 -3.844 -11.822 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -10.297 -2.647 -11.595 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.748 -4.660 -11.056 1.00 0.00 O ATOM 0 H ASP B 65 -9.708 -1.998 -13.421 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.795 -3.554 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.551 -5.120 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.007 -4.820 -13.736 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.440 -1.355 -12.729 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.525 -0.728 -11.925 1.00 0.00 C ATOM 2534 C GLY B 66 -13.414 -1.248 -10.499 1.00 0.00 C ATOM 2535 O GLY B 66 -14.182 -0.895 -9.627 1.00 0.00 O ATOM 0 H GLY B 66 -11.640 -0.754 -12.928 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.434 0.358 -11.943 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.501 -0.973 -12.345 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.442 -2.089 -10.269 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.220 -2.665 -8.913 1.00 0.00 C ATOM 2541 C GLU B 67 -10.770 -2.407 -8.513 1.00 0.00 C ATOM 2542 O GLU B 67 -9.975 -1.948 -9.311 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.475 -4.170 -8.949 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.955 -4.432 -9.233 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.170 -5.929 -9.466 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.564 -6.459 -10.382 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.938 -6.519 -8.724 1.00 0.00 O ATOM 0 H GLU B 67 -11.781 -2.406 -10.978 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.898 -2.205 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.859 -4.635 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.191 -4.620 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.563 -4.092 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.274 -3.867 -10.109 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.427 -2.677 -7.282 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.028 -2.426 -6.809 1.00 0.00 C ATOM 2556 C CYS B 68 -8.408 -3.692 -6.215 1.00 0.00 C ATOM 2557 O CYS B 68 -8.630 -4.017 -5.061 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.053 -1.330 -5.739 1.00 0.00 C ATOM 2559 SG CYS B 68 -10.212 -0.033 -6.233 1.00 0.00 S ATOM 0 H CYS B 68 -11.056 -3.063 -6.578 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.425 -2.116 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.350 -1.751 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.055 -0.911 -5.609 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.128 0.158 -7.516 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.637 -4.416 -6.996 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.992 -5.652 -6.469 1.00 0.00 C ATOM 2567 C ASP B 69 -6.224 -5.286 -5.199 1.00 0.00 C ATOM 2568 O ASP B 69 -6.326 -4.184 -4.717 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.022 -6.215 -7.512 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.603 -7.633 -7.114 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.343 -8.264 -6.377 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.549 -8.062 -7.552 1.00 0.00 O ATOM 0 H ASP B 69 -7.431 -4.201 -7.971 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.748 -6.406 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.495 -6.227 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.144 -5.574 -7.589 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.461 -6.184 -4.641 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.721 -5.848 -3.386 1.00 0.00 C ATOM 2579 C PHE B 70 -3.471 -5.001 -3.673 1.00 0.00 C ATOM 2580 O PHE B 70 -3.036 -4.235 -2.836 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.309 -7.146 -2.667 1.00 0.00 C ATOM 2582 CG PHE B 70 -3.994 -8.231 -3.678 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -2.814 -8.173 -4.427 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -4.887 -9.294 -3.862 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.527 -9.174 -5.362 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.599 -10.298 -4.795 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.419 -10.237 -5.546 1.00 0.00 C ATOM 0 H PHE B 70 -5.316 -7.130 -4.994 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.386 -5.262 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.438 -6.961 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.113 -7.476 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.124 -7.355 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -5.798 -9.340 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -1.617 -9.126 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.287 -11.119 -4.935 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.197 -11.010 -6.267 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.863 -5.158 -4.813 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.617 -4.388 -5.095 1.00 0.00 C ATOM 2599 C GLN B 71 -1.926 -2.915 -5.363 1.00 0.00 C ATOM 2600 O GLN B 71 -1.196 -2.037 -4.934 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.844 -5.010 -6.276 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.771 -5.344 -7.453 1.00 0.00 C ATOM 2603 CD GLN B 71 -2.250 -4.057 -8.127 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -3.386 -3.967 -8.550 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.427 -3.050 -8.247 1.00 0.00 N ATOM 0 H GLN B 71 -3.170 -5.782 -5.559 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.985 -4.440 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.070 -4.318 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.339 -5.917 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.244 -5.968 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.627 -5.919 -7.100 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.474 -3.125 -7.892 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.738 -2.188 -8.696 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.002 -2.612 -6.036 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.328 -1.179 -6.290 1.00 0.00 C ATOM 2616 C GLU B 72 -4.225 -0.667 -5.167 1.00 0.00 C ATOM 2617 O GLU B 72 -4.127 0.471 -4.756 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.002 -1.036 -7.661 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.468 -1.524 -7.617 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.869 -2.097 -8.983 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.998 -1.319 -9.913 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.035 -3.302 -9.074 1.00 0.00 O ATOM 0 H GLU B 72 -3.664 -3.287 -6.418 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.418 -0.580 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.972 0.007 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.447 -1.610 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.584 -2.285 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.128 -0.698 -7.352 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.086 -1.492 -4.638 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.950 -1.018 -3.521 1.00 0.00 C ATOM 2631 C PHE B 73 -5.053 -0.414 -2.451 1.00 0.00 C ATOM 2632 O PHE B 73 -5.285 0.669 -1.960 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.735 -2.197 -2.938 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.390 -1.823 -1.620 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.133 -0.640 -1.500 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.266 -2.681 -0.517 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.744 -0.319 -0.284 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.883 -2.357 0.694 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.619 -1.179 0.810 1.00 0.00 C ATOM 0 H PHE B 73 -5.228 -2.460 -4.926 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.659 -0.273 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.498 -2.516 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.066 -3.044 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.233 0.023 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.693 -3.592 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.313 0.594 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.790 -3.020 1.541 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.094 -0.930 1.748 1.00 0.00 H new ATOM 2649 N MET B 74 -4.003 -1.089 -2.108 1.00 0.00 N ATOM 2650 CA MET B 74 -3.084 -0.520 -1.103 1.00 0.00 C ATOM 2651 C MET B 74 -2.597 0.811 -1.665 1.00 0.00 C ATOM 2652 O MET B 74 -2.525 1.808 -0.972 1.00 0.00 O ATOM 2653 CB MET B 74 -1.915 -1.496 -0.885 1.00 0.00 C ATOM 2654 CG MET B 74 -1.216 -1.250 0.478 1.00 0.00 C ATOM 2655 SD MET B 74 -1.611 -2.598 1.633 1.00 0.00 S ATOM 2656 CE MET B 74 0.045 -2.819 2.340 1.00 0.00 C ATOM 0 H MET B 74 -3.743 -2.004 -2.477 1.00 0.00 H new ATOM 0 HA MET B 74 -3.569 -0.364 -0.139 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.283 -2.521 -0.927 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.191 -1.384 -1.692 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.137 -1.186 0.336 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.540 -0.296 0.895 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.068 -3.733 2.934 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.777 -2.890 1.536 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.286 -1.967 2.976 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.251 0.825 -2.923 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.754 2.100 -3.522 1.00 0.00 C ATOM 2668 C ALA B 75 -2.751 3.232 -3.223 1.00 0.00 C ATOM 2669 O ALA B 75 -2.395 4.394 -3.238 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.577 1.949 -5.035 1.00 0.00 C ATOM 0 H ALA B 75 -2.289 0.025 -3.554 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.786 2.342 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.214 2.887 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.856 1.158 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.534 1.694 -5.490 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.990 2.918 -2.935 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.960 4.019 -2.621 1.00 0.00 C ATOM 2678 C PHE B 76 -4.614 4.575 -1.249 1.00 0.00 C ATOM 2679 O PHE B 76 -4.463 5.764 -1.069 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.414 3.511 -2.625 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.329 4.542 -1.977 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.373 5.853 -2.469 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.128 4.184 -0.880 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.211 6.800 -1.868 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.966 5.132 -0.282 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.008 6.439 -0.776 1.00 0.00 C ATOM 0 H PHE B 76 -4.368 1.971 -2.903 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.882 4.792 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.737 3.318 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.479 2.566 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.760 6.133 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.096 3.175 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.242 7.811 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.580 4.854 0.561 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.656 7.170 -0.315 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.471 3.721 -0.288 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.119 4.198 1.074 1.00 0.00 C ATOM 2698 C VAL B 77 -2.852 5.049 0.977 1.00 0.00 C ATOM 2699 O VAL B 77 -2.684 6.028 1.671 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.855 2.990 1.981 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.653 3.467 3.424 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.045 2.018 1.921 1.00 0.00 C ATOM 0 H VAL B 77 -4.582 2.711 -0.382 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.935 4.789 1.490 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.957 2.475 1.638 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.465 2.608 4.068 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.801 4.146 3.467 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.549 3.987 3.764 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.849 1.163 2.568 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.948 2.528 2.256 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.182 1.674 0.896 1.00 0.00 H new ATOM 2712 N SER B 78 -1.962 4.665 0.119 1.00 0.00 N ATOM 2713 CA SER B 78 -0.693 5.412 -0.050 1.00 0.00 C ATOM 2714 C SER B 78 -0.968 6.740 -0.751 1.00 0.00 C ATOM 2715 O SER B 78 -0.262 7.711 -0.572 1.00 0.00 O ATOM 2716 CB SER B 78 0.250 4.573 -0.898 1.00 0.00 C ATOM 2717 OG SER B 78 -0.282 4.464 -2.206 1.00 0.00 O ATOM 0 H SER B 78 -2.061 3.849 -0.485 1.00 0.00 H new ATOM 0 HA SER B 78 -0.244 5.612 0.923 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.238 5.033 -0.930 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.373 3.584 -0.458 1.00 0.00 H new ATOM 0 HG SER B 78 -1.252 4.604 -2.178 1.00 0.00 H new ATOM 2723 N MET B 79 -1.991 6.785 -1.555 1.00 0.00 N ATOM 2724 CA MET B 79 -2.322 8.041 -2.282 1.00 0.00 C ATOM 2725 C MET B 79 -2.914 9.057 -1.314 1.00 0.00 C ATOM 2726 O MET B 79 -2.695 10.246 -1.440 1.00 0.00 O ATOM 2727 CB MET B 79 -3.341 7.743 -3.390 1.00 0.00 C ATOM 2728 CG MET B 79 -3.518 8.974 -4.303 1.00 0.00 C ATOM 2729 SD MET B 79 -5.244 9.077 -4.857 1.00 0.00 S ATOM 2730 CE MET B 79 -4.927 9.576 -6.569 1.00 0.00 C ATOM 0 H MET B 79 -2.616 6.001 -1.741 1.00 0.00 H new ATOM 0 HA MET B 79 -1.412 8.448 -2.723 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.007 6.890 -3.980 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.299 7.469 -2.948 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.243 9.881 -3.765 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.853 8.900 -5.163 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.874 9.696 -7.094 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.385 10.522 -6.578 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.330 8.811 -7.066 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.641 8.607 -0.330 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.215 9.558 0.656 1.00 0.00 C ATOM 2742 C VAL B 80 -3.161 9.751 1.728 1.00 0.00 C ATOM 2743 O VAL B 80 -3.036 10.808 2.316 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.535 9.026 1.272 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.350 8.259 0.231 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.258 8.096 2.462 1.00 0.00 C ATOM 0 H VAL B 80 -3.861 7.624 -0.168 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.469 10.500 0.171 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.100 9.892 1.616 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.271 7.895 0.686 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.593 8.920 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.768 7.413 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.203 7.739 2.873 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.663 7.246 2.129 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.711 8.642 3.231 1.00 0.00 H new ATOM 2756 N THR B 81 -2.375 8.735 1.972 1.00 0.00 N ATOM 2757 CA THR B 81 -1.313 8.891 2.990 1.00 0.00 C ATOM 2758 C THR B 81 -0.294 9.852 2.420 1.00 0.00 C ATOM 2759 O THR B 81 0.258 10.677 3.120 1.00 0.00 O ATOM 2760 CB THR B 81 -0.628 7.559 3.281 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.597 6.597 3.664 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.388 7.745 4.407 1.00 0.00 C ATOM 0 H THR B 81 -2.425 7.824 1.517 1.00 0.00 H new ATOM 0 HA THR B 81 -1.745 9.256 3.922 1.00 0.00 H new ATOM 0 HB THR B 81 -0.115 7.212 2.384 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.815 6.029 2.896 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.878 6.794 4.616 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.135 8.479 4.106 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.123 8.094 5.304 1.00 0.00 H new ATOM 2770 N THR B 82 -0.029 9.756 1.143 1.00 0.00 N ATOM 2771 CA THR B 82 0.968 10.668 0.526 1.00 0.00 C ATOM 2772 C THR B 82 0.507 12.120 0.673 1.00 0.00 C ATOM 2773 O THR B 82 1.298 13.003 0.940 1.00 0.00 O ATOM 2774 CB THR B 82 1.104 10.299 -0.952 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.188 10.057 -1.497 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.964 9.027 -1.091 1.00 0.00 C ATOM 0 H THR B 82 -0.460 9.086 0.506 1.00 0.00 H new ATOM 0 HA THR B 82 1.933 10.566 1.023 1.00 0.00 H new ATOM 0 HB THR B 82 1.582 11.119 -1.488 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.853 10.589 -1.011 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.060 8.766 -2.145 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.953 9.209 -0.671 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.488 8.206 -0.555 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.765 12.380 0.514 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.254 13.777 0.663 1.00 0.00 C ATOM 2786 C ALA B 83 -1.031 14.226 2.108 1.00 0.00 C ATOM 2787 O ALA B 83 -0.705 15.365 2.374 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.749 13.836 0.338 1.00 0.00 C ATOM 0 H ALA B 83 -1.480 11.688 0.289 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.712 14.432 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.105 14.860 0.448 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.912 13.503 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.296 13.187 1.022 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.204 13.331 3.043 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.000 13.700 4.474 1.00 0.00 C ATOM 2796 C CYS B 84 0.497 13.840 4.759 1.00 0.00 C ATOM 2797 O CYS B 84 0.902 14.492 5.700 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.592 12.609 5.369 1.00 0.00 C ATOM 2799 SG CYS B 84 -3.292 12.259 4.851 1.00 0.00 S ATOM 0 H CYS B 84 -1.477 12.362 2.879 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.496 14.648 4.679 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.988 11.704 5.306 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.577 12.930 6.411 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.281 11.688 3.683 1.00 0.00 H new ATOM 2805 N HIS B 85 1.324 13.231 3.953 1.00 0.00 N ATOM 2806 CA HIS B 85 2.798 13.321 4.169 1.00 0.00 C ATOM 2807 C HIS B 85 3.349 14.540 3.415 1.00 0.00 C ATOM 2808 O HIS B 85 4.232 15.225 3.891 1.00 0.00 O ATOM 2809 CB HIS B 85 3.451 12.027 3.650 1.00 0.00 C ATOM 2810 CG HIS B 85 4.914 12.242 3.356 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.446 12.027 2.097 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.961 12.658 4.141 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.759 12.310 2.157 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.127 12.700 3.380 1.00 0.00 N ATOM 0 H HIS B 85 1.041 12.671 3.149 1.00 0.00 H new ATOM 0 HA HIS B 85 3.021 13.438 5.230 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.338 11.235 4.391 1.00 0.00 H new ATOM 0 HB3 HIS B 85 2.940 11.694 2.747 1.00 0.00 H new ATOM 0 HD1 HIS B 85 4.935 11.711 1.273 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.891 12.913 5.188 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.434 12.231 1.318 1.00 0.00 H new ATOM 2822 N GLU B 86 2.838 14.815 2.246 1.00 0.00 N ATOM 2823 CA GLU B 86 3.342 15.985 1.476 1.00 0.00 C ATOM 2824 C GLU B 86 2.812 17.273 2.105 1.00 0.00 C ATOM 2825 O GLU B 86 3.486 18.284 2.137 1.00 0.00 O ATOM 2826 CB GLU B 86 2.866 15.885 0.024 1.00 0.00 C ATOM 2827 CG GLU B 86 3.233 17.166 -0.729 1.00 0.00 C ATOM 2828 CD GLU B 86 3.059 16.942 -2.232 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.563 15.890 -2.600 1.00 0.00 O ATOM 2830 OE2 GLU B 86 3.425 17.826 -2.990 1.00 0.00 O ATOM 0 H GLU B 86 2.096 14.282 1.793 1.00 0.00 H new ATOM 0 HA GLU B 86 4.432 15.994 1.497 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.325 15.023 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.787 15.731 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.600 17.989 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU B 86 4.263 17.447 -0.509 1.00 0.00 H new ATOM 2837 N PHE B 87 1.611 17.243 2.607 1.00 0.00 N ATOM 2838 CA PHE B 87 1.036 18.463 3.237 1.00 0.00 C ATOM 2839 C PHE B 87 1.909 18.882 4.422 1.00 0.00 C ATOM 2840 O PHE B 87 2.294 20.028 4.548 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.380 18.157 3.731 1.00 0.00 C ATOM 2842 CG PHE B 87 -0.927 19.349 4.483 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.316 20.498 3.784 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.052 19.307 5.879 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.828 21.602 4.477 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.564 20.411 6.572 1.00 0.00 C ATOM 2847 CZ PHE B 87 -1.952 21.558 5.870 1.00 0.00 C ATOM 0 H PHE B 87 1.001 16.425 2.609 1.00 0.00 H new ATOM 0 HA PHE B 87 1.002 19.271 2.507 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.027 17.920 2.886 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.368 17.281 4.379 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.221 20.533 2.709 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.753 18.422 6.421 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.127 22.488 3.936 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.659 20.377 7.647 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.347 22.410 6.404 1.00 0.00 H new ATOM 2857 N PHE B 88 2.215 17.963 5.295 1.00 0.00 N ATOM 2858 CA PHE B 88 3.054 18.302 6.478 1.00 0.00 C ATOM 2859 C PHE B 88 4.496 18.568 6.036 1.00 0.00 C ATOM 2860 O PHE B 88 5.179 19.402 6.597 1.00 0.00 O ATOM 2861 CB PHE B 88 3.025 17.134 7.467 1.00 0.00 C ATOM 2862 CG PHE B 88 3.945 17.429 8.628 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.543 18.323 9.628 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.198 16.807 8.706 1.00 0.00 C ATOM 2865 CE1 PHE B 88 4.393 18.594 10.707 1.00 0.00 C ATOM 2866 CE2 PHE B 88 6.048 17.079 9.784 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.645 17.971 10.785 1.00 0.00 C ATOM 0 H PHE B 88 1.919 16.988 5.240 1.00 0.00 H new ATOM 0 HA PHE B 88 2.660 19.198 6.957 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.009 16.975 7.827 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.335 16.215 6.969 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.578 18.803 9.567 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.508 16.118 7.934 1.00 0.00 H new ATOM 0 HE1 PHE B 88 4.083 19.283 11.479 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.015 16.601 9.844 1.00 0.00 H new ATOM 0 HZ PHE B 88 6.300 18.179 11.618 1.00 0.00 H new