USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -138:sc= -4.04! (180deg=-0.934!) USER MOD Set 1.2: A 51 ASN : amide:sc= -7.24! C(o=-11!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.133 (180deg=-1.05) USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= -0.613 (180deg=-3.86!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00427 USER MOD Single : A 12 GLN :FLIP amide:sc= -6.95! C(o=-9.5!,f=-6.9!) USER MOD Single : A 28 SER OG : rot 142:sc= 0.188 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.842 (180deg=-2.29!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0609 F(o=-0.61,f=-0.061) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 101:sc= -0.577 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.201 (180deg=-0.908) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 67 SER OG : rot 94:sc= 1.12 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0313 (180deg=-0.413) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 76 THR OG1 : rot -54:sc= -1.67! USER MOD Single : A 78 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= 0.339 (180deg=0.233) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.28 F(o=-5.3!,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= -1.54 (180deg=-3.61!) USER MOD Single : A 90 SER OG : rot 130:sc= 1.17 USER MOD Single : A 93 ASN : amide:sc= -1.86 K(o=-1.9,f=-5.6!) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -0.297 (180deg=-1.41!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 74:sc= 0.443 USER MOD Single : A 102 ASN : amide:sc=-0.000522 X(o=-0.00052,f=-0.1) USER MOD Single : B 1 PHE N :NH3+ -155:sc= 0.197 (180deg=0.0216) USER MOD Single : B 5 TYR OH : rot 2:sc= -2.03 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.516 -1.843 9.249 1.00 0.73 N ATOM 2 CA MET A 1 -6.229 -2.164 9.930 1.00 0.31 C ATOM 3 C MET A 1 -5.095 -2.174 8.900 1.00 0.24 C ATOM 4 O MET A 1 -5.276 -2.575 7.768 1.00 0.21 O ATOM 5 CB MET A 1 -6.328 -3.541 10.591 1.00 0.70 C ATOM 6 CG MET A 1 -7.549 -3.582 11.514 1.00 1.55 C ATOM 7 SD MET A 1 -7.281 -2.482 12.926 1.00 2.25 S ATOM 8 CE MET A 1 -8.413 -3.304 14.073 1.00 2.89 C ATOM 0 H1 MET A 1 -8.189 -1.457 9.942 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.347 -1.140 8.502 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.911 -2.708 8.827 1.00 0.73 H new ATOM 0 HA MET A 1 -6.024 -1.410 10.690 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.410 -4.316 9.829 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.422 -3.748 11.161 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.441 -3.277 10.967 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.721 -4.601 11.861 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.406 -2.781 15.029 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.422 -3.292 13.660 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.094 -4.336 14.222 1.00 2.89 H new ATOM 20 N VAL A 2 -3.926 -1.734 9.285 1.00 0.24 N ATOM 21 CA VAL A 2 -2.771 -1.714 8.336 1.00 0.19 C ATOM 22 C VAL A 2 -1.948 -2.995 8.512 1.00 0.22 C ATOM 23 O VAL A 2 -2.179 -3.772 9.417 1.00 0.28 O ATOM 24 CB VAL A 2 -1.900 -0.488 8.637 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.727 -0.418 7.652 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.752 0.781 8.510 1.00 0.30 C ATOM 0 H VAL A 2 -3.719 -1.385 10.221 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.132 -1.660 7.309 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.506 -0.569 9.650 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.116 0.456 7.876 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.120 -1.318 7.745 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.110 -0.342 6.634 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.137 1.655 8.723 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.147 0.854 7.497 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.578 0.737 9.220 1.00 0.30 H new ATOM 36 N LYS A 3 -0.986 -3.221 7.655 1.00 0.18 N ATOM 37 CA LYS A 3 -0.146 -4.451 7.771 1.00 0.22 C ATOM 38 C LYS A 3 1.226 -4.184 7.151 1.00 0.16 C ATOM 39 O LYS A 3 1.337 -3.838 5.993 1.00 0.13 O ATOM 40 CB LYS A 3 -0.817 -5.610 7.028 1.00 0.26 C ATOM 41 CG LYS A 3 -0.129 -6.928 7.392 1.00 0.34 C ATOM 42 CD LYS A 3 -0.952 -8.099 6.851 1.00 0.81 C ATOM 43 CE LYS A 3 -0.163 -9.398 7.011 1.00 1.37 C ATOM 44 NZ LYS A 3 1.053 -9.351 6.152 1.00 1.97 N ATOM 0 H LYS A 3 -0.745 -2.605 6.878 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.034 -4.713 8.823 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.874 -5.657 7.289 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.761 -5.445 5.952 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.877 -6.953 6.974 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.027 -7.011 8.474 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.899 -8.169 7.386 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.191 -7.934 5.800 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.121 -9.537 8.054 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.784 -10.250 6.734 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.058 -10.171 5.512 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.049 -8.475 5.592 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.903 -9.374 6.751 1.00 1.97 H new ATOM 58 N GLN A 4 2.273 -4.334 7.919 1.00 0.18 N ATOM 59 CA GLN A 4 3.643 -4.082 7.384 1.00 0.15 C ATOM 60 C GLN A 4 4.219 -5.371 6.790 1.00 0.13 C ATOM 61 O GLN A 4 4.129 -6.436 7.369 1.00 0.14 O ATOM 62 CB GLN A 4 4.545 -3.590 8.527 1.00 0.20 C ATOM 63 CG GLN A 4 6.028 -3.674 8.120 1.00 0.21 C ATOM 64 CD GLN A 4 6.867 -2.764 9.022 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.095 -3.074 10.173 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.339 -1.645 8.542 1.00 0.98 N ATOM 0 H GLN A 4 2.238 -4.621 8.897 1.00 0.18 H new ATOM 0 HA GLN A 4 3.594 -3.325 6.601 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.290 -2.561 8.782 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.372 -4.192 9.419 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.378 -4.703 8.200 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.146 -3.377 7.078 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.148 -1.384 7.575 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.899 -1.032 9.134 1.00 0.98 H new ATOM 75 N ILE A 5 4.829 -5.265 5.640 1.00 0.10 N ATOM 76 CA ILE A 5 5.451 -6.454 4.983 1.00 0.10 C ATOM 77 C ILE A 5 6.969 -6.320 5.112 1.00 0.10 C ATOM 78 O ILE A 5 7.567 -5.432 4.538 1.00 0.11 O ATOM 79 CB ILE A 5 5.077 -6.472 3.497 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.599 -6.064 3.305 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.343 -7.860 2.907 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.647 -6.961 4.112 1.00 0.19 C ATOM 0 H ILE A 5 4.925 -4.393 5.120 1.00 0.10 H new ATOM 0 HA ILE A 5 5.101 -7.373 5.453 1.00 0.10 H new ATOM 0 HB ILE A 5 5.696 -5.747 2.968 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.466 -5.026 3.611 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.341 -6.120 2.247 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.074 -7.864 1.851 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.400 -8.104 3.014 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.744 -8.601 3.436 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.618 -6.640 3.948 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.760 -7.996 3.788 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.887 -6.885 5.173 1.00 0.19 H new ATOM 94 N GLU A 6 7.595 -7.181 5.863 1.00 0.11 N ATOM 95 CA GLU A 6 9.076 -7.090 6.037 1.00 0.14 C ATOM 96 C GLU A 6 9.762 -8.126 5.142 1.00 0.14 C ATOM 97 O GLU A 6 10.963 -8.103 4.961 1.00 0.17 O ATOM 98 CB GLU A 6 9.421 -7.371 7.498 1.00 0.18 C ATOM 99 CG GLU A 6 8.475 -6.590 8.416 1.00 0.31 C ATOM 100 CD GLU A 6 8.830 -6.880 9.876 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.007 -6.860 10.193 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.918 -7.116 10.650 1.00 1.97 O ATOM 0 H GLU A 6 7.147 -7.947 6.366 1.00 0.11 H new ATOM 0 HA GLU A 6 9.419 -6.093 5.760 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.340 -8.439 7.701 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.454 -7.086 7.698 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.556 -5.522 8.216 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.441 -6.874 8.218 1.00 0.31 H new ATOM 109 N SER A 7 9.010 -9.033 4.574 1.00 0.13 N ATOM 110 CA SER A 7 9.625 -10.065 3.687 1.00 0.15 C ATOM 111 C SER A 7 8.595 -10.550 2.666 1.00 0.14 C ATOM 112 O SER A 7 7.402 -10.473 2.884 1.00 0.12 O ATOM 113 CB SER A 7 10.102 -11.243 4.532 1.00 0.20 C ATOM 114 OG SER A 7 9.094 -11.584 5.476 1.00 0.23 O ATOM 0 H SER A 7 7.999 -9.104 4.686 1.00 0.13 H new ATOM 0 HA SER A 7 10.473 -9.628 3.160 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.322 -12.098 3.893 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.027 -10.984 5.048 1.00 0.20 H new ATOM 0 HG SER A 7 9.397 -12.341 6.019 1.00 0.23 H new ATOM 120 N LYS A 8 9.051 -11.050 1.550 1.00 0.15 N ATOM 121 CA LYS A 8 8.108 -11.542 0.507 1.00 0.14 C ATOM 122 C LYS A 8 7.118 -12.533 1.128 1.00 0.14 C ATOM 123 O LYS A 8 5.988 -12.642 0.704 1.00 0.13 O ATOM 124 CB LYS A 8 8.902 -12.236 -0.605 1.00 0.17 C ATOM 125 CG LYS A 8 8.037 -12.355 -1.861 1.00 0.21 C ATOM 126 CD LYS A 8 8.852 -12.998 -2.986 1.00 0.22 C ATOM 127 CE LYS A 8 8.035 -12.987 -4.281 1.00 1.06 C ATOM 128 NZ LYS A 8 8.867 -13.518 -5.397 1.00 1.90 N ATOM 0 H LYS A 8 10.040 -11.139 1.315 1.00 0.15 H new ATOM 0 HA LYS A 8 7.555 -10.700 0.091 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.806 -11.669 -0.827 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.219 -13.225 -0.275 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.152 -12.956 -1.650 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.687 -11.370 -2.169 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.786 -12.455 -3.129 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.116 -14.021 -2.719 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.137 -13.593 -4.162 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.707 -11.973 -4.508 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.313 -13.511 -6.277 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.711 -12.922 -5.515 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.159 -14.492 -5.179 1.00 1.90 H new ATOM 142 N THR A 9 7.531 -13.262 2.125 1.00 0.16 N ATOM 143 CA THR A 9 6.606 -14.242 2.758 1.00 0.18 C ATOM 144 C THR A 9 5.359 -13.517 3.272 1.00 0.16 C ATOM 145 O THR A 9 4.244 -13.965 3.085 1.00 0.17 O ATOM 146 CB THR A 9 7.315 -14.931 3.921 1.00 0.21 C ATOM 147 OG1 THR A 9 8.636 -15.278 3.530 1.00 0.24 O ATOM 148 CG2 THR A 9 6.548 -16.194 4.321 1.00 0.25 C ATOM 0 H THR A 9 8.467 -13.222 2.529 1.00 0.16 H new ATOM 0 HA THR A 9 6.308 -14.988 2.021 1.00 0.18 H new ATOM 0 HB THR A 9 7.354 -14.252 4.773 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.093 -15.719 4.276 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.058 -16.682 5.151 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.536 -15.925 4.625 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.502 -16.876 3.472 1.00 0.25 H new ATOM 156 N ALA A 10 5.538 -12.401 3.919 1.00 0.16 N ATOM 157 CA ALA A 10 4.370 -11.640 4.448 1.00 0.17 C ATOM 158 C ALA A 10 3.595 -11.007 3.285 1.00 0.15 C ATOM 159 O ALA A 10 2.422 -10.711 3.399 1.00 0.17 O ATOM 160 CB ALA A 10 4.868 -10.548 5.399 1.00 0.20 C ATOM 0 H ALA A 10 6.448 -11.980 4.106 1.00 0.16 H new ATOM 0 HA ALA A 10 3.707 -12.316 4.988 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.017 -9.989 5.788 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.411 -11.006 6.226 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.531 -9.871 4.860 1.00 0.20 H new ATOM 166 N PHE A 11 4.240 -10.792 2.170 1.00 0.12 N ATOM 167 CA PHE A 11 3.536 -10.173 1.009 1.00 0.11 C ATOM 168 C PHE A 11 2.365 -11.052 0.573 1.00 0.13 C ATOM 169 O PHE A 11 1.220 -10.681 0.715 1.00 0.16 O ATOM 170 CB PHE A 11 4.509 -10.007 -0.161 1.00 0.10 C ATOM 171 CG PHE A 11 3.799 -9.333 -1.314 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.417 -7.983 -1.208 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.528 -10.050 -2.496 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.763 -7.348 -2.281 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.872 -9.416 -3.570 1.00 0.18 C ATOM 176 CZ PHE A 11 2.490 -8.065 -3.462 1.00 0.21 C ATOM 0 H PHE A 11 5.222 -11.018 2.013 1.00 0.12 H new ATOM 0 HA PHE A 11 3.158 -9.196 1.310 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.369 -9.413 0.148 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.889 -10.980 -0.473 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.626 -7.433 -0.302 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.823 -11.086 -2.579 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.471 -6.312 -2.198 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.662 -9.966 -4.475 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.988 -7.579 -4.285 1.00 0.21 H new ATOM 186 N GLN A 12 2.639 -12.206 0.034 1.00 0.15 N ATOM 187 CA GLN A 12 1.526 -13.090 -0.419 1.00 0.19 C ATOM 188 C GLN A 12 0.556 -13.318 0.744 1.00 0.17 C ATOM 189 O GLN A 12 -0.647 -13.290 0.575 1.00 0.16 O ATOM 190 CB GLN A 12 2.101 -14.439 -0.900 1.00 0.24 C ATOM 191 CG GLN A 12 3.384 -14.783 -0.110 1.00 1.21 C ATOM 192 CD GLN A 12 4.616 -14.232 -0.838 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.485 -13.198 -1.620 1.00 2.35 O flip ATOM 194 NE2 GLN A 12 5.705 -14.750 -0.689 1.00 2.47 N flip ATOM 0 H GLN A 12 3.578 -12.575 -0.113 1.00 0.15 H new ATOM 0 HA GLN A 12 0.993 -12.617 -1.244 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.360 -15.227 -0.766 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.324 -14.389 -1.966 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.326 -14.361 0.893 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.472 -15.864 0.003 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.805 -15.559 -0.076 1.00 2.47 H new ATOM 0 HE22 GLN A 12 6.519 -14.375 -1.177 1.00 2.47 H new ATOM 203 N GLU A 13 1.066 -13.549 1.918 1.00 0.19 N ATOM 204 CA GLU A 13 0.171 -13.784 3.080 1.00 0.20 C ATOM 205 C GLU A 13 -0.743 -12.576 3.288 1.00 0.18 C ATOM 206 O GLU A 13 -1.902 -12.716 3.624 1.00 0.19 O ATOM 207 CB GLU A 13 1.020 -14.000 4.329 1.00 0.25 C ATOM 208 CG GLU A 13 1.768 -15.332 4.226 1.00 0.30 C ATOM 209 CD GLU A 13 0.776 -16.487 4.371 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.492 -16.862 5.496 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.318 -16.979 3.352 1.00 2.10 O ATOM 0 H GLU A 13 2.064 -13.585 2.123 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.442 -14.665 2.892 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.731 -13.181 4.442 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.386 -13.997 5.216 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.283 -15.399 3.268 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.531 -15.394 5.002 1.00 0.30 H new ATOM 218 N ALA A 14 -0.235 -11.390 3.097 1.00 0.18 N ATOM 219 CA ALA A 14 -1.086 -10.182 3.292 1.00 0.18 C ATOM 220 C ALA A 14 -2.276 -10.237 2.326 1.00 0.18 C ATOM 221 O ALA A 14 -3.411 -10.031 2.707 1.00 0.19 O ATOM 222 CB ALA A 14 -0.257 -8.931 3.014 1.00 0.20 C ATOM 0 H ALA A 14 0.728 -11.205 2.816 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.454 -10.153 4.318 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.876 -8.045 3.156 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.589 -8.896 3.700 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.109 -8.958 1.988 1.00 0.20 H new ATOM 228 N LEU A 15 -2.019 -10.520 1.075 1.00 0.17 N ATOM 229 CA LEU A 15 -3.125 -10.599 0.073 1.00 0.18 C ATOM 230 C LEU A 15 -4.069 -11.746 0.446 1.00 0.18 C ATOM 231 O LEU A 15 -5.274 -11.631 0.346 1.00 0.18 O ATOM 232 CB LEU A 15 -2.537 -10.851 -1.323 1.00 0.19 C ATOM 233 CG LEU A 15 -1.258 -10.026 -1.507 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.773 -10.161 -2.951 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.549 -8.554 -1.207 1.00 0.62 C ATOM 0 H LEU A 15 -1.087 -10.701 0.702 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.678 -9.660 0.068 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.318 -11.911 -1.449 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.266 -10.583 -2.088 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.490 -10.390 -0.825 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.137 -9.576 -3.086 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.566 -11.209 -3.169 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.544 -9.795 -3.629 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.639 -7.969 -1.338 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.317 -8.189 -1.889 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.899 -8.454 -0.180 1.00 0.62 H new ATOM 247 N ASP A 16 -3.527 -12.855 0.872 1.00 0.19 N ATOM 248 CA ASP A 16 -4.390 -14.011 1.247 1.00 0.21 C ATOM 249 C ASP A 16 -5.253 -13.645 2.457 1.00 0.20 C ATOM 250 O ASP A 16 -6.419 -13.982 2.523 1.00 0.20 O ATOM 251 CB ASP A 16 -3.506 -15.211 1.595 1.00 0.24 C ATOM 252 CG ASP A 16 -4.385 -16.440 1.831 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.580 -16.266 2.001 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.848 -17.536 1.838 1.00 1.09 O ATOM 0 H ASP A 16 -2.524 -13.010 0.976 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.039 -14.263 0.408 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.802 -15.404 0.786 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.916 -14.996 2.486 1.00 0.24 H new ATOM 259 N ALA A 17 -4.691 -12.968 3.419 1.00 0.22 N ATOM 260 CA ALA A 17 -5.482 -12.592 4.626 1.00 0.24 C ATOM 261 C ALA A 17 -6.363 -11.378 4.316 1.00 0.21 C ATOM 262 O ALA A 17 -7.279 -11.064 5.050 1.00 0.22 O ATOM 263 CB ALA A 17 -4.529 -12.247 5.771 1.00 0.30 C ATOM 0 H ALA A 17 -3.719 -12.659 3.423 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.115 -13.431 4.914 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.106 -11.972 6.654 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.906 -13.112 5.999 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.895 -11.411 5.477 1.00 0.30 H new ATOM 269 N ALA A 18 -6.095 -10.692 3.240 1.00 0.21 N ATOM 270 CA ALA A 18 -6.923 -9.502 2.896 1.00 0.22 C ATOM 271 C ALA A 18 -8.336 -9.951 2.518 1.00 0.21 C ATOM 272 O ALA A 18 -9.205 -9.143 2.258 1.00 0.24 O ATOM 273 CB ALA A 18 -6.289 -8.762 1.716 1.00 0.23 C ATOM 0 H ALA A 18 -5.341 -10.903 2.586 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.974 -8.836 3.757 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.895 -7.892 1.464 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.284 -8.439 1.987 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.236 -9.428 0.855 1.00 0.23 H new ATOM 279 N GLY A 19 -8.573 -11.234 2.485 1.00 0.22 N ATOM 280 CA GLY A 19 -9.930 -11.731 2.122 1.00 0.24 C ATOM 281 C GLY A 19 -10.221 -11.393 0.659 1.00 0.20 C ATOM 282 O GLY A 19 -9.649 -11.969 -0.246 1.00 0.28 O ATOM 0 H GLY A 19 -7.886 -11.959 2.694 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.988 -12.809 2.276 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.681 -11.276 2.768 1.00 0.24 H new ATOM 286 N ASP A 20 -11.107 -10.461 0.421 1.00 0.13 N ATOM 287 CA ASP A 20 -11.444 -10.074 -0.983 1.00 0.18 C ATOM 288 C ASP A 20 -11.603 -8.553 -1.064 1.00 0.15 C ATOM 289 O ASP A 20 -11.962 -8.012 -2.091 1.00 0.22 O ATOM 290 CB ASP A 20 -12.757 -10.752 -1.396 1.00 0.26 C ATOM 291 CG ASP A 20 -12.776 -12.189 -0.873 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.297 -13.062 -1.580 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.269 -12.394 0.225 1.00 2.19 O ATOM 0 H ASP A 20 -11.615 -9.948 1.142 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.646 -10.392 -1.654 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.606 -10.197 -0.997 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.855 -10.748 -2.482 1.00 0.26 H new ATOM 298 N LYS A 21 -11.342 -7.856 0.012 1.00 0.12 N ATOM 299 CA LYS A 21 -11.481 -6.378 -0.012 1.00 0.19 C ATOM 300 C LYS A 21 -10.389 -5.774 -0.873 1.00 0.15 C ATOM 301 O LYS A 21 -9.506 -6.455 -1.354 1.00 0.15 O ATOM 302 CB LYS A 21 -11.354 -5.838 1.403 1.00 0.27 C ATOM 303 CG LYS A 21 -12.645 -6.119 2.159 1.00 0.29 C ATOM 304 CD LYS A 21 -12.463 -5.709 3.610 1.00 0.30 C ATOM 305 CE LYS A 21 -13.824 -5.651 4.285 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.679 -4.638 3.609 1.00 1.90 N ATOM 0 H LYS A 21 -11.039 -8.250 0.903 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.455 -6.115 -0.424 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.511 -6.307 1.911 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.157 -4.766 1.381 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.472 -5.567 1.712 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.897 -7.178 2.095 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.818 -6.422 4.124 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.973 -4.737 3.668 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.302 -6.630 4.244 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -13.707 -5.397 5.339 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.198 -4.089 4.324 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.081 -3.998 3.048 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -15.356 -5.118 2.982 1.00 1.90 H new ATOM 320 N LEU A 22 -10.441 -4.493 -1.069 1.00 0.13 N ATOM 321 CA LEU A 22 -9.400 -3.840 -1.900 1.00 0.11 C ATOM 322 C LEU A 22 -8.065 -3.896 -1.137 1.00 0.10 C ATOM 323 O LEU A 22 -8.045 -4.066 0.067 1.00 0.11 O ATOM 324 CB LEU A 22 -9.816 -2.378 -2.187 1.00 0.12 C ATOM 325 CG LEU A 22 -9.555 -1.979 -3.651 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.837 -0.481 -3.800 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.097 -2.250 -4.050 1.00 0.11 C ATOM 0 H LEU A 22 -11.156 -3.871 -0.692 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.287 -4.354 -2.855 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.875 -2.252 -1.960 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.266 -1.708 -1.526 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.204 -2.570 -4.298 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.658 -0.178 -4.832 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.875 -0.278 -3.537 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.179 0.081 -3.137 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.944 -1.958 -5.089 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.431 -1.673 -3.409 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.880 -3.312 -3.936 1.00 0.11 H new ATOM 339 N VAL A 23 -6.952 -3.755 -1.812 1.00 0.08 N ATOM 340 CA VAL A 23 -5.636 -3.799 -1.103 1.00 0.09 C ATOM 341 C VAL A 23 -4.660 -2.824 -1.767 1.00 0.08 C ATOM 342 O VAL A 23 -4.159 -3.073 -2.846 1.00 0.09 O ATOM 343 CB VAL A 23 -5.067 -5.217 -1.183 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.931 -5.370 -0.172 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.171 -6.227 -0.863 1.00 0.10 C ATOM 0 H VAL A 23 -6.897 -3.612 -2.820 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.777 -3.516 -0.060 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.686 -5.398 -2.188 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.526 -6.380 -0.230 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.144 -4.650 -0.397 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.312 -5.188 0.833 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.767 -7.238 -0.920 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.551 -6.044 0.142 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.982 -6.120 -1.583 1.00 0.10 H new ATOM 355 N VAL A 24 -4.374 -1.719 -1.119 1.00 0.08 N ATOM 356 CA VAL A 24 -3.416 -0.720 -1.692 1.00 0.08 C ATOM 357 C VAL A 24 -2.097 -0.813 -0.926 1.00 0.08 C ATOM 358 O VAL A 24 -2.070 -0.833 0.290 1.00 0.08 O ATOM 359 CB VAL A 24 -3.996 0.690 -1.565 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.234 1.647 -2.486 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.470 0.673 -1.964 1.00 0.09 C ATOM 0 H VAL A 24 -4.766 -1.465 -0.212 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.246 -0.932 -2.748 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.899 1.026 -0.533 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.650 2.650 -2.393 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.181 1.663 -2.203 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.327 1.310 -3.518 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.883 1.678 -1.873 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.564 0.334 -2.996 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.017 -0.005 -1.308 1.00 0.09 H new ATOM 371 N VAL A 25 -1.004 -0.887 -1.638 1.00 0.09 N ATOM 372 CA VAL A 25 0.339 -1.000 -0.985 1.00 0.09 C ATOM 373 C VAL A 25 1.114 0.299 -1.179 1.00 0.10 C ATOM 374 O VAL A 25 1.132 0.869 -2.252 1.00 0.17 O ATOM 375 CB VAL A 25 1.117 -2.143 -1.644 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.269 -2.580 -0.737 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.175 -3.323 -1.877 1.00 0.09 C ATOM 0 H VAL A 25 -0.982 -0.874 -2.658 1.00 0.09 H new ATOM 0 HA VAL A 25 0.211 -1.194 0.080 1.00 0.09 H new ATOM 0 HB VAL A 25 1.523 -1.802 -2.596 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.818 -3.393 -1.212 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.940 -1.738 -0.570 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.871 -2.921 0.219 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.724 -4.140 -2.346 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.230 -3.659 -0.923 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.642 -3.013 -2.529 1.00 0.09 H new ATOM 387 N ASP A 26 1.763 0.762 -0.145 1.00 0.08 N ATOM 388 CA ASP A 26 2.560 2.020 -0.243 1.00 0.08 C ATOM 389 C ASP A 26 4.048 1.675 -0.190 1.00 0.08 C ATOM 390 O ASP A 26 4.583 1.351 0.853 1.00 0.09 O ATOM 391 CB ASP A 26 2.205 2.930 0.934 1.00 0.09 C ATOM 392 CG ASP A 26 3.100 4.170 0.912 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.171 4.806 -0.126 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.700 4.461 1.934 1.00 0.93 O ATOM 0 H ASP A 26 1.775 0.318 0.773 1.00 0.08 H new ATOM 0 HA ASP A 26 2.337 2.530 -1.180 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.157 3.224 0.876 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.334 2.393 1.874 1.00 0.09 H new ATOM 399 N PHE A 27 4.725 1.747 -1.303 1.00 0.08 N ATOM 400 CA PHE A 27 6.180 1.432 -1.315 1.00 0.09 C ATOM 401 C PHE A 27 6.942 2.708 -0.960 1.00 0.11 C ATOM 402 O PHE A 27 7.449 3.399 -1.826 1.00 0.13 O ATOM 403 CB PHE A 27 6.588 0.980 -2.718 1.00 0.10 C ATOM 404 CG PHE A 27 6.181 -0.459 -2.952 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.854 -0.777 -3.310 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.137 -1.483 -2.825 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.487 -2.121 -3.539 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.773 -2.823 -3.055 1.00 0.21 C ATOM 409 CZ PHE A 27 5.448 -3.143 -3.411 1.00 0.23 C ATOM 0 H PHE A 27 4.332 2.011 -2.206 1.00 0.08 H new ATOM 0 HA PHE A 27 6.404 0.640 -0.601 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.119 1.622 -3.464 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.666 1.083 -2.840 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.119 0.008 -3.409 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.153 -1.240 -2.550 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.471 -2.365 -3.812 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.510 -3.607 -2.959 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.169 -4.172 -3.586 1.00 0.23 H new ATOM 419 N SER A 28 7.007 3.032 0.307 1.00 0.11 N ATOM 420 CA SER A 28 7.718 4.272 0.754 1.00 0.12 C ATOM 421 C SER A 28 8.948 3.897 1.576 1.00 0.10 C ATOM 422 O SER A 28 8.971 2.888 2.252 1.00 0.11 O ATOM 423 CB SER A 28 6.777 5.100 1.626 1.00 0.17 C ATOM 424 OG SER A 28 5.720 5.607 0.826 1.00 1.03 O ATOM 0 H SER A 28 6.593 2.484 1.061 1.00 0.11 H new ATOM 0 HA SER A 28 8.025 4.845 -0.121 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.376 4.486 2.432 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.322 5.921 2.091 1.00 0.17 H new ATOM 0 HG SER A 28 4.885 5.590 1.339 1.00 1.03 H new ATOM 430 N ALA A 29 9.965 4.714 1.542 1.00 0.10 N ATOM 431 CA ALA A 29 11.190 4.424 2.340 1.00 0.15 C ATOM 432 C ALA A 29 11.051 5.108 3.707 1.00 0.18 C ATOM 433 O ALA A 29 10.817 6.297 3.795 1.00 0.26 O ATOM 434 CB ALA A 29 12.418 4.962 1.590 1.00 0.19 C ATOM 0 H ALA A 29 10.000 5.573 0.994 1.00 0.10 H new ATOM 0 HA ALA A 29 11.313 3.351 2.484 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.318 4.753 2.168 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.491 4.477 0.617 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.317 6.039 1.452 1.00 0.19 H new ATOM 440 N THR A 30 11.175 4.363 4.771 1.00 0.18 N ATOM 441 CA THR A 30 11.031 4.966 6.128 1.00 0.23 C ATOM 442 C THR A 30 12.171 5.955 6.396 1.00 0.26 C ATOM 443 O THR A 30 12.047 6.847 7.212 1.00 0.31 O ATOM 444 CB THR A 30 11.062 3.856 7.181 1.00 0.26 C ATOM 445 OG1 THR A 30 10.848 4.420 8.467 1.00 0.32 O ATOM 446 CG2 THR A 30 12.419 3.154 7.148 1.00 0.28 C ATOM 0 H THR A 30 11.370 3.362 4.760 1.00 0.18 H new ATOM 0 HA THR A 30 10.082 5.500 6.179 1.00 0.23 H new ATOM 0 HB THR A 30 10.277 3.130 6.967 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.866 3.710 9.143 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.438 2.364 7.899 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.581 2.721 6.161 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.207 3.876 7.361 1.00 0.28 H new ATOM 454 N TRP A 31 13.284 5.803 5.729 1.00 0.26 N ATOM 455 CA TRP A 31 14.430 6.734 5.964 1.00 0.32 C ATOM 456 C TRP A 31 14.315 7.949 5.041 1.00 0.32 C ATOM 457 O TRP A 31 14.993 8.941 5.215 1.00 0.36 O ATOM 458 CB TRP A 31 15.744 6.000 5.675 1.00 0.34 C ATOM 459 CG TRP A 31 15.871 5.734 4.209 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.485 4.595 3.587 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.412 6.604 3.176 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.759 4.708 2.235 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.330 5.928 1.929 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.965 7.905 3.199 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.780 6.525 0.743 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.419 8.509 2.009 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.328 7.820 0.783 1.00 0.40 C ATOM 0 H TRP A 31 13.451 5.077 5.033 1.00 0.26 H new ATOM 0 HA TRP A 31 14.413 7.070 7.001 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.587 6.599 6.018 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.774 5.061 6.227 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.036 3.738 4.067 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.563 3.979 1.549 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.040 8.440 4.134 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.706 5.994 -0.195 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.838 9.504 2.037 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.679 8.286 -0.126 1.00 0.40 H new ATOM 478 N CYS A 32 13.471 7.871 4.050 1.00 0.28 N ATOM 479 CA CYS A 32 13.320 9.010 3.100 1.00 0.30 C ATOM 480 C CYS A 32 12.148 9.895 3.538 1.00 0.31 C ATOM 481 O CYS A 32 11.023 9.451 3.655 1.00 0.29 O ATOM 482 CB CYS A 32 13.077 8.445 1.696 1.00 0.28 C ATOM 483 SG CYS A 32 13.708 9.604 0.455 1.00 0.32 S ATOM 0 H CYS A 32 12.877 7.065 3.856 1.00 0.28 H new ATOM 0 HA CYS A 32 14.223 9.620 3.092 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.572 7.480 1.591 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.011 8.275 1.541 1.00 0.28 H new ATOM 488 N GLY A 33 12.417 11.147 3.784 1.00 0.34 N ATOM 489 CA GLY A 33 11.349 12.088 4.219 1.00 0.36 C ATOM 490 C GLY A 33 10.243 12.213 3.154 1.00 0.35 C ATOM 491 O GLY A 33 9.091 11.986 3.456 1.00 0.33 O ATOM 0 H GLY A 33 13.345 11.563 3.701 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.916 11.741 5.157 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.783 13.069 4.412 1.00 0.36 H new ATOM 495 N PRO A 34 10.608 12.598 1.943 1.00 0.37 N ATOM 496 CA PRO A 34 9.625 12.788 0.855 1.00 0.38 C ATOM 497 C PRO A 34 8.651 11.607 0.765 1.00 0.35 C ATOM 498 O PRO A 34 7.492 11.778 0.447 1.00 0.36 O ATOM 499 CB PRO A 34 10.485 12.927 -0.423 1.00 0.42 C ATOM 500 CG PRO A 34 11.936 13.227 0.048 1.00 0.44 C ATOM 501 CD PRO A 34 12.011 12.865 1.550 1.00 0.40 C ATOM 0 HA PRO A 34 8.993 13.661 1.016 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.451 12.012 -1.014 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.110 13.730 -1.057 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.656 12.643 -0.525 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.182 14.277 -0.108 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.642 11.992 1.716 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.437 13.681 2.133 1.00 0.40 H new ATOM 509 N ALA A 35 9.101 10.420 1.044 1.00 0.33 N ATOM 510 CA ALA A 35 8.179 9.255 0.970 1.00 0.32 C ATOM 511 C ALA A 35 7.281 9.254 2.211 1.00 0.39 C ATOM 512 O ALA A 35 6.071 9.318 2.120 1.00 0.81 O ATOM 513 CB ALA A 35 9.000 7.959 0.912 1.00 0.36 C ATOM 0 H ALA A 35 10.060 10.205 1.318 1.00 0.33 H new ATOM 0 HA ALA A 35 7.560 9.322 0.075 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.326 7.104 0.858 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.640 7.973 0.030 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.617 7.879 1.807 1.00 0.36 H new ATOM 519 N LYS A 36 7.874 9.189 3.368 1.00 0.30 N ATOM 520 CA LYS A 36 7.084 9.189 4.631 1.00 0.28 C ATOM 521 C LYS A 36 6.261 10.476 4.741 1.00 0.24 C ATOM 522 O LYS A 36 5.321 10.557 5.505 1.00 0.25 O ATOM 523 CB LYS A 36 8.055 9.102 5.811 1.00 0.35 C ATOM 524 CG LYS A 36 7.278 9.144 7.130 1.00 0.38 C ATOM 525 CD LYS A 36 8.234 8.856 8.291 1.00 0.49 C ATOM 526 CE LYS A 36 7.442 8.755 9.597 1.00 1.22 C ATOM 527 NZ LYS A 36 8.385 8.733 10.750 1.00 1.92 N ATOM 0 H LYS A 36 8.885 9.135 3.495 1.00 0.30 H new ATOM 0 HA LYS A 36 6.403 8.338 4.636 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.634 8.181 5.749 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.765 9.928 5.771 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.813 10.121 7.261 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.474 8.408 7.115 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.774 7.927 8.109 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.979 9.648 8.366 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.760 9.601 9.687 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.832 7.852 9.596 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.847 8.664 11.637 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.018 7.913 10.665 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.949 9.607 10.754 1.00 1.92 H new ATOM 541 N MET A 37 6.616 11.488 3.998 1.00 0.23 N ATOM 542 CA MET A 37 5.863 12.772 4.079 1.00 0.24 C ATOM 543 C MET A 37 4.388 12.544 3.721 1.00 0.20 C ATOM 544 O MET A 37 3.522 13.293 4.126 1.00 0.20 O ATOM 545 CB MET A 37 6.480 13.790 3.104 1.00 0.29 C ATOM 546 CG MET A 37 6.087 15.223 3.492 1.00 1.31 C ATOM 547 SD MET A 37 4.390 15.558 2.962 1.00 2.12 S ATOM 548 CE MET A 37 4.246 17.202 3.705 1.00 3.13 C ATOM 0 H MET A 37 7.394 11.482 3.339 1.00 0.23 H new ATOM 0 HA MET A 37 5.924 13.157 5.097 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.566 13.692 3.108 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.144 13.578 2.089 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.173 15.354 4.571 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.770 15.935 3.029 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.256 17.609 3.499 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.391 17.128 4.783 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.004 17.860 3.281 1.00 3.13 H new ATOM 558 N ILE A 38 4.095 11.525 2.952 1.00 0.18 N ATOM 559 CA ILE A 38 2.674 11.266 2.551 1.00 0.15 C ATOM 560 C ILE A 38 2.036 10.226 3.479 1.00 0.16 C ATOM 561 O ILE A 38 0.970 9.714 3.208 1.00 0.16 O ATOM 562 CB ILE A 38 2.645 10.746 1.109 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.701 11.492 0.286 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.258 10.981 0.488 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.582 11.104 -1.194 1.00 0.28 C ATOM 0 H ILE A 38 4.776 10.861 2.584 1.00 0.18 H new ATOM 0 HA ILE A 38 2.110 12.196 2.625 1.00 0.15 H new ATOM 0 HB ILE A 38 2.857 9.677 1.109 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.570 12.568 0.400 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.698 11.252 0.655 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.250 10.608 -0.536 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.504 10.454 1.072 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.036 12.048 0.487 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.336 11.638 -1.772 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.736 10.030 -1.302 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.590 11.367 -1.561 1.00 0.28 H new ATOM 577 N LYS A 39 2.666 9.900 4.575 1.00 0.19 N ATOM 578 CA LYS A 39 2.049 8.895 5.478 1.00 0.22 C ATOM 579 C LYS A 39 0.768 9.418 6.167 1.00 0.20 C ATOM 580 O LYS A 39 -0.104 8.628 6.452 1.00 0.21 O ATOM 581 CB LYS A 39 3.071 8.348 6.517 1.00 0.31 C ATOM 582 CG LYS A 39 3.288 9.297 7.723 1.00 0.34 C ATOM 583 CD LYS A 39 3.842 8.510 8.921 1.00 0.45 C ATOM 584 CE LYS A 39 2.802 7.503 9.455 1.00 1.16 C ATOM 585 NZ LYS A 39 3.107 6.150 8.907 1.00 1.62 N ATOM 0 H LYS A 39 3.563 10.279 4.878 1.00 0.19 H new ATOM 0 HA LYS A 39 1.744 8.062 4.844 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.725 7.381 6.882 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.027 8.178 6.021 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.980 10.093 7.449 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.346 9.773 7.995 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.747 7.980 8.624 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.124 9.202 9.715 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.825 7.481 10.545 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.798 7.809 9.163 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.257 5.759 8.453 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.871 6.224 8.205 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.406 5.522 9.680 1.00 1.62 H new ATOM 599 N PRO A 40 0.659 10.704 6.468 1.00 0.20 N ATOM 600 CA PRO A 40 -0.537 11.190 7.173 1.00 0.21 C ATOM 601 C PRO A 40 -1.784 10.980 6.311 1.00 0.17 C ATOM 602 O PRO A 40 -2.890 11.245 6.735 1.00 0.20 O ATOM 603 CB PRO A 40 -0.264 12.685 7.453 1.00 0.24 C ATOM 604 CG PRO A 40 1.167 13.001 6.936 1.00 0.25 C ATOM 605 CD PRO A 40 1.645 11.766 6.143 1.00 0.21 C ATOM 0 HA PRO A 40 -0.726 10.651 8.102 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.001 13.311 6.949 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.342 12.896 8.519 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.161 13.887 6.302 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.840 13.209 7.768 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.670 11.968 5.072 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.653 11.473 6.436 1.00 0.21 H new ATOM 613 N PHE A 41 -1.609 10.503 5.105 1.00 0.14 N ATOM 614 CA PHE A 41 -2.775 10.264 4.201 1.00 0.14 C ATOM 615 C PHE A 41 -2.949 8.764 3.987 1.00 0.11 C ATOM 616 O PHE A 41 -3.832 8.152 4.547 1.00 0.13 O ATOM 617 CB PHE A 41 -2.519 10.961 2.860 1.00 0.15 C ATOM 618 CG PHE A 41 -2.820 12.433 3.011 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.814 13.315 3.449 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.110 12.917 2.730 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.100 14.687 3.604 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.399 14.287 2.885 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.394 15.173 3.322 1.00 0.27 C ATOM 0 H PHE A 41 -0.701 10.267 4.705 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.684 10.666 4.649 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.483 10.817 2.552 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.146 10.525 2.082 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.824 12.941 3.666 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.880 12.238 2.395 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.329 15.365 3.938 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.390 14.658 2.669 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.614 16.224 3.441 1.00 0.27 H new ATOM 633 N PHE A 42 -2.115 8.170 3.185 1.00 0.10 N ATOM 634 CA PHE A 42 -2.234 6.706 2.923 1.00 0.11 C ATOM 635 C PHE A 42 -2.498 5.941 4.227 1.00 0.11 C ATOM 636 O PHE A 42 -3.474 5.228 4.350 1.00 0.12 O ATOM 637 CB PHE A 42 -0.928 6.214 2.297 1.00 0.13 C ATOM 638 CG PHE A 42 -0.954 4.713 2.168 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.663 4.118 1.113 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.262 3.908 3.095 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.684 2.722 0.979 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.284 2.506 2.964 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.996 1.912 1.903 1.00 0.10 C ATOM 0 H PHE A 42 -1.351 8.635 2.695 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.070 6.529 2.247 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.791 6.670 1.316 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.082 6.520 2.912 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.193 4.736 0.403 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.285 4.366 3.906 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.229 2.267 0.165 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.244 1.888 3.675 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.014 0.837 1.799 1.00 0.10 H new ATOM 653 N HIS A 43 -1.638 6.077 5.194 1.00 0.14 N ATOM 654 CA HIS A 43 -1.840 5.350 6.481 1.00 0.16 C ATOM 655 C HIS A 43 -3.081 5.897 7.209 1.00 0.16 C ATOM 656 O HIS A 43 -3.762 5.175 7.911 1.00 0.18 O ATOM 657 CB HIS A 43 -0.563 5.493 7.344 1.00 0.21 C ATOM 658 CG HIS A 43 -0.881 5.406 8.814 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.350 6.345 9.700 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -0.761 4.228 9.534 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.524 5.760 10.951 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.153 4.485 10.795 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.802 6.660 5.152 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.015 4.291 6.291 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.148 4.711 7.077 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.082 6.448 7.130 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.416 3.278 9.153 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.882 6.234 11.853 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.166 3.791 11.542 1.00 0.39 H new ATOM 670 N SER A 44 -3.378 7.155 7.059 1.00 0.20 N ATOM 671 CA SER A 44 -4.570 7.718 7.758 1.00 0.25 C ATOM 672 C SER A 44 -5.853 7.049 7.250 1.00 0.20 C ATOM 673 O SER A 44 -6.761 6.783 8.012 1.00 0.21 O ATOM 674 CB SER A 44 -4.646 9.222 7.510 1.00 0.34 C ATOM 675 OG SER A 44 -5.963 9.677 7.788 1.00 0.97 O ATOM 0 H SER A 44 -2.853 7.817 6.487 1.00 0.20 H new ATOM 0 HA SER A 44 -4.473 7.527 8.827 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.928 9.743 8.142 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.382 9.446 6.476 1.00 0.34 H new ATOM 0 HG SER A 44 -6.015 10.643 7.631 1.00 0.97 H new ATOM 681 N LEU A 45 -5.945 6.783 5.974 1.00 0.18 N ATOM 682 CA LEU A 45 -7.184 6.142 5.438 1.00 0.18 C ATOM 683 C LEU A 45 -7.519 4.898 6.265 1.00 0.16 C ATOM 684 O LEU A 45 -8.597 4.349 6.164 1.00 0.23 O ATOM 685 CB LEU A 45 -6.977 5.728 3.974 1.00 0.19 C ATOM 686 CG LEU A 45 -6.586 6.938 3.111 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.502 6.502 1.646 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.632 8.056 3.252 1.00 0.50 C ATOM 0 H LEU A 45 -5.221 6.980 5.283 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.002 6.860 5.498 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.199 4.967 3.914 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.892 5.280 3.586 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.620 7.317 3.445 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.225 7.356 1.028 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.750 5.719 1.542 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.471 6.120 1.324 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.341 8.906 2.635 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.605 7.687 2.927 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.693 8.368 4.295 1.00 0.50 H new ATOM 700 N SER A 46 -6.608 4.447 7.082 1.00 0.20 N ATOM 701 CA SER A 46 -6.889 3.238 7.908 1.00 0.25 C ATOM 702 C SER A 46 -8.138 3.476 8.760 1.00 0.17 C ATOM 703 O SER A 46 -8.927 2.577 8.985 1.00 0.15 O ATOM 704 CB SER A 46 -5.698 2.958 8.823 1.00 0.36 C ATOM 705 OG SER A 46 -4.535 2.748 8.031 1.00 0.51 O ATOM 0 H SER A 46 -5.685 4.861 7.214 1.00 0.20 H new ATOM 0 HA SER A 46 -7.055 2.384 7.252 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.542 3.796 9.503 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.896 2.080 9.438 1.00 0.36 H new ATOM 0 HG SER A 46 -3.988 3.561 8.032 1.00 0.51 H new ATOM 711 N GLU A 47 -8.322 4.675 9.249 1.00 0.21 N ATOM 712 CA GLU A 47 -9.516 4.968 10.102 1.00 0.21 C ATOM 713 C GLU A 47 -10.651 5.551 9.253 1.00 0.18 C ATOM 714 O GLU A 47 -11.791 5.583 9.673 1.00 0.18 O ATOM 715 CB GLU A 47 -9.127 5.981 11.182 1.00 0.32 C ATOM 716 CG GLU A 47 -7.803 5.564 11.825 1.00 0.39 C ATOM 717 CD GLU A 47 -7.933 4.149 12.393 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.525 4.009 13.451 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.438 3.230 11.761 1.00 2.00 O ATOM 0 H GLU A 47 -7.697 5.466 9.095 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.857 4.040 10.561 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.033 6.975 10.745 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.909 6.038 11.940 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.002 5.599 11.087 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.536 6.262 12.618 1.00 0.39 H new ATOM 726 N LYS A 48 -10.358 6.018 8.068 1.00 0.18 N ATOM 727 CA LYS A 48 -11.436 6.600 7.208 1.00 0.17 C ATOM 728 C LYS A 48 -12.042 5.497 6.336 1.00 0.15 C ATOM 729 O LYS A 48 -13.167 5.598 5.887 1.00 0.18 O ATOM 730 CB LYS A 48 -10.837 7.690 6.312 1.00 0.21 C ATOM 731 CG LYS A 48 -11.955 8.574 5.751 1.00 0.26 C ATOM 732 CD LYS A 48 -11.339 9.746 4.983 1.00 1.09 C ATOM 733 CE LYS A 48 -12.449 10.586 4.349 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.499 10.873 5.367 1.00 2.16 N ATOM 0 H LYS A 48 -9.424 6.023 7.658 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.213 7.033 7.838 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.133 8.296 6.882 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.277 7.235 5.495 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.599 7.991 5.092 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.582 8.945 6.562 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.743 10.362 5.657 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.665 9.374 4.211 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.038 11.519 3.962 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.884 10.054 3.503 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.050 11.704 5.072 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.131 10.052 5.455 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.049 11.064 6.285 1.00 2.16 H new ATOM 748 N TYR A 49 -11.304 4.442 6.098 1.00 0.13 N ATOM 749 CA TYR A 49 -11.824 3.315 5.259 1.00 0.13 C ATOM 750 C TYR A 49 -11.506 1.987 5.947 1.00 0.11 C ATOM 751 O TYR A 49 -10.688 1.216 5.486 1.00 0.11 O ATOM 752 CB TYR A 49 -11.155 3.355 3.878 1.00 0.15 C ATOM 753 CG TYR A 49 -11.823 4.405 3.022 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.110 4.166 2.500 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.168 5.623 2.750 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.740 5.142 1.707 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.799 6.599 1.958 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.086 6.359 1.435 1.00 0.21 C ATOM 759 OH TYR A 49 -13.704 7.319 0.657 1.00 0.24 O ATOM 0 H TYR A 49 -10.356 4.311 6.451 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.903 3.413 5.139 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.093 3.579 3.983 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.229 2.379 3.398 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.613 3.233 2.709 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.182 5.807 3.150 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.726 4.958 1.306 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.297 7.533 1.750 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.115 8.098 0.569 1.00 0.24 H new ATOM 769 N SER A 50 -12.152 1.711 7.046 1.00 0.12 N ATOM 770 CA SER A 50 -11.896 0.431 7.761 1.00 0.13 C ATOM 771 C SER A 50 -12.378 -0.729 6.890 1.00 0.13 C ATOM 772 O SER A 50 -12.235 -1.885 7.237 1.00 0.14 O ATOM 773 CB SER A 50 -12.655 0.428 9.088 1.00 0.16 C ATOM 774 OG SER A 50 -14.048 0.564 8.832 1.00 0.17 O ATOM 0 H SER A 50 -12.847 2.318 7.480 1.00 0.12 H new ATOM 0 HA SER A 50 -10.829 0.323 7.958 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.461 -0.498 9.629 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.308 1.245 9.721 1.00 0.16 H new ATOM 0 HG SER A 50 -14.538 0.561 9.680 1.00 0.17 H new ATOM 780 N ASN A 51 -12.960 -0.421 5.761 1.00 0.13 N ATOM 781 CA ASN A 51 -13.470 -1.486 4.848 1.00 0.15 C ATOM 782 C ASN A 51 -12.424 -1.787 3.773 1.00 0.13 C ATOM 783 O ASN A 51 -12.633 -2.615 2.909 1.00 0.14 O ATOM 784 CB ASN A 51 -14.753 -0.985 4.183 1.00 0.17 C ATOM 785 CG ASN A 51 -15.323 -2.063 3.260 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.220 -2.790 3.638 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.844 -2.191 2.053 1.00 0.32 N ATOM 0 H ASN A 51 -13.105 0.533 5.429 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.671 -2.395 5.414 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.487 -0.722 4.944 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.546 -0.079 3.613 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.223 -2.901 1.427 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.091 -1.581 1.736 1.00 0.32 H new ATOM 794 N VAL A 52 -11.299 -1.117 3.821 1.00 0.11 N ATOM 795 CA VAL A 52 -10.218 -1.345 2.808 1.00 0.10 C ATOM 796 C VAL A 52 -8.952 -1.824 3.519 1.00 0.10 C ATOM 797 O VAL A 52 -8.719 -1.515 4.671 1.00 0.11 O ATOM 798 CB VAL A 52 -9.921 -0.031 2.088 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.707 -0.205 1.171 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.140 0.373 1.257 1.00 0.12 C ATOM 0 H VAL A 52 -11.080 -0.414 4.526 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.542 -2.097 2.088 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.704 0.745 2.822 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.499 0.735 0.660 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.840 -0.494 1.766 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.916 -0.980 0.434 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.934 1.311 0.741 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.355 -0.405 0.525 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -12.001 0.502 1.913 1.00 0.12 H new ATOM 810 N ILE A 53 -8.133 -2.584 2.838 1.00 0.09 N ATOM 811 CA ILE A 53 -6.874 -3.098 3.460 1.00 0.09 C ATOM 812 C ILE A 53 -5.683 -2.259 2.973 1.00 0.09 C ATOM 813 O ILE A 53 -5.499 -2.062 1.787 1.00 0.14 O ATOM 814 CB ILE A 53 -6.666 -4.556 3.035 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.001 -5.330 3.092 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.615 -5.220 3.934 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.694 -5.178 4.456 1.00 0.17 C ATOM 0 H ILE A 53 -8.283 -2.873 1.871 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.948 -3.032 4.545 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.306 -4.576 2.006 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.664 -4.969 2.306 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.817 -6.386 2.894 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.474 -6.256 3.625 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.670 -4.683 3.847 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.953 -5.194 4.970 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.629 -5.738 4.453 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.042 -5.564 5.240 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.902 -4.125 4.643 1.00 0.17 H new ATOM 829 N PHE A 54 -4.870 -1.775 3.881 1.00 0.08 N ATOM 830 CA PHE A 54 -3.675 -0.954 3.495 1.00 0.08 C ATOM 831 C PHE A 54 -2.405 -1.683 3.929 1.00 0.08 C ATOM 832 O PHE A 54 -2.287 -2.125 5.056 1.00 0.11 O ATOM 833 CB PHE A 54 -3.733 0.401 4.203 1.00 0.08 C ATOM 834 CG PHE A 54 -4.880 1.209 3.647 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.816 1.705 2.331 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.014 1.467 4.443 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.885 2.459 1.811 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.082 2.222 3.923 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.018 2.719 2.606 1.00 0.09 C ATOM 0 H PHE A 54 -4.984 -1.915 4.885 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.672 -0.805 2.415 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.861 0.258 5.276 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.794 0.937 4.063 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.947 1.507 1.721 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.064 1.085 5.452 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.836 2.839 0.801 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.951 2.420 4.533 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.837 3.299 2.207 1.00 0.09 H new ATOM 849 N LEU A 55 -1.451 -1.811 3.041 1.00 0.08 N ATOM 850 CA LEU A 55 -0.171 -2.513 3.376 1.00 0.09 C ATOM 851 C LEU A 55 0.974 -1.492 3.363 1.00 0.09 C ATOM 852 O LEU A 55 0.803 -0.353 2.975 1.00 0.10 O ATOM 853 CB LEU A 55 0.116 -3.597 2.322 1.00 0.10 C ATOM 854 CG LEU A 55 -0.678 -4.878 2.615 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.170 -4.559 2.796 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.491 -5.847 1.441 1.00 0.12 C ATOM 0 H LEU A 55 -1.504 -1.455 2.087 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.255 -2.974 4.360 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.144 -3.223 1.332 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.182 -3.822 2.308 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.313 -5.329 3.538 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.716 -5.479 3.003 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.296 -3.867 3.629 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.558 -4.104 1.885 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.049 -6.763 1.633 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.858 -5.384 0.525 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.567 -6.083 1.329 1.00 0.12 H new ATOM 868 N GLU A 56 2.144 -1.903 3.769 1.00 0.09 N ATOM 869 CA GLU A 56 3.320 -0.980 3.773 1.00 0.09 C ATOM 870 C GLU A 56 4.559 -1.790 3.388 1.00 0.09 C ATOM 871 O GLU A 56 4.675 -2.950 3.732 1.00 0.10 O ATOM 872 CB GLU A 56 3.496 -0.378 5.173 1.00 0.09 C ATOM 873 CG GLU A 56 4.491 0.788 5.117 1.00 0.11 C ATOM 874 CD GLU A 56 4.418 1.589 6.420 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.590 2.483 6.495 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.191 1.295 7.317 1.00 1.31 O ATOM 0 H GLU A 56 2.340 -2.847 4.102 1.00 0.09 H new ATOM 0 HA GLU A 56 3.171 -0.166 3.063 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.535 -0.030 5.552 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.854 -1.141 5.864 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.502 0.409 4.967 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.263 1.433 4.268 1.00 0.11 H new ATOM 883 N VAL A 57 5.473 -1.208 2.651 1.00 0.08 N ATOM 884 CA VAL A 57 6.688 -1.970 2.220 1.00 0.08 C ATOM 885 C VAL A 57 7.935 -1.082 2.281 1.00 0.09 C ATOM 886 O VAL A 57 7.919 0.067 1.880 1.00 0.14 O ATOM 887 CB VAL A 57 6.490 -2.442 0.777 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.714 -3.241 0.329 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.247 -3.330 0.695 1.00 0.09 C ATOM 0 H VAL A 57 5.431 -0.241 2.330 1.00 0.08 H new ATOM 0 HA VAL A 57 6.826 -2.819 2.889 1.00 0.08 H new ATOM 0 HB VAL A 57 6.362 -1.576 0.128 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.573 -3.577 -0.698 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.601 -2.610 0.386 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.842 -4.106 0.979 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.107 -3.666 -0.333 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.375 -4.195 1.345 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.373 -2.762 1.014 1.00 0.09 H new ATOM 899 N ASP A 58 9.026 -1.629 2.761 1.00 0.09 N ATOM 900 CA ASP A 58 10.304 -0.858 2.837 1.00 0.09 C ATOM 901 C ASP A 58 11.177 -1.260 1.642 1.00 0.10 C ATOM 902 O ASP A 58 11.734 -2.339 1.603 1.00 0.11 O ATOM 903 CB ASP A 58 11.029 -1.196 4.146 1.00 0.11 C ATOM 904 CG ASP A 58 12.066 -0.113 4.460 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.661 0.995 4.767 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.245 -0.415 4.392 1.00 1.06 O ATOM 0 H ASP A 58 9.084 -2.587 3.107 1.00 0.09 H new ATOM 0 HA ASP A 58 10.104 0.213 2.812 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.310 -1.271 4.962 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.518 -2.167 4.062 1.00 0.11 H new ATOM 911 N VAL A 59 11.275 -0.412 0.659 1.00 0.12 N ATOM 912 CA VAL A 59 12.083 -0.748 -0.551 1.00 0.15 C ATOM 913 C VAL A 59 13.549 -1.003 -0.184 1.00 0.18 C ATOM 914 O VAL A 59 14.309 -1.494 -0.992 1.00 0.27 O ATOM 915 CB VAL A 59 12.007 0.419 -1.534 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.587 0.521 -2.090 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.366 1.719 -0.812 1.00 0.22 C ATOM 0 H VAL A 59 10.829 0.505 0.639 1.00 0.12 H new ATOM 0 HA VAL A 59 11.679 -1.656 -0.999 1.00 0.15 H new ATOM 0 HB VAL A 59 12.708 0.253 -2.352 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.530 1.353 -2.792 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.330 -0.405 -2.604 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.887 0.688 -1.271 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.312 2.552 -1.513 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.665 1.887 0.005 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.378 1.646 -0.413 1.00 0.22 H new ATOM 927 N ASP A 60 13.962 -0.666 1.013 1.00 0.16 N ATOM 928 CA ASP A 60 15.397 -0.878 1.404 1.00 0.18 C ATOM 929 C ASP A 60 15.547 -2.147 2.250 1.00 0.17 C ATOM 930 O ASP A 60 16.469 -2.917 2.065 1.00 0.18 O ATOM 931 CB ASP A 60 15.877 0.324 2.216 1.00 0.21 C ATOM 932 CG ASP A 60 15.914 1.562 1.318 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.917 1.758 0.651 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.937 2.292 1.311 1.00 1.11 O ATOM 0 H ASP A 60 13.372 -0.254 1.736 1.00 0.16 H new ATOM 0 HA ASP A 60 15.994 -0.988 0.499 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.211 0.495 3.062 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.868 0.128 2.625 1.00 0.21 H new ATOM 939 N ASP A 61 14.663 -2.371 3.184 1.00 0.17 N ATOM 940 CA ASP A 61 14.774 -3.590 4.045 1.00 0.17 C ATOM 941 C ASP A 61 13.955 -4.734 3.428 1.00 0.16 C ATOM 942 O ASP A 61 14.062 -5.871 3.843 1.00 0.18 O ATOM 943 CB ASP A 61 14.270 -3.248 5.459 1.00 0.19 C ATOM 944 CG ASP A 61 13.867 -4.521 6.218 1.00 0.22 C ATOM 945 OD1 ASP A 61 12.757 -4.985 6.008 1.00 1.12 O ATOM 946 OD2 ASP A 61 14.674 -5.008 6.992 1.00 1.07 O ATOM 0 H ASP A 61 13.869 -1.765 3.390 1.00 0.17 H new ATOM 0 HA ASP A 61 15.813 -3.915 4.110 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.049 -2.722 6.010 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.416 -2.574 5.392 1.00 0.19 H new ATOM 951 N ALA A 62 13.153 -4.442 2.432 1.00 0.16 N ATOM 952 CA ALA A 62 12.334 -5.509 1.765 1.00 0.16 C ATOM 953 C ALA A 62 12.621 -5.479 0.264 1.00 0.16 C ATOM 954 O ALA A 62 11.723 -5.491 -0.555 1.00 0.15 O ATOM 955 CB ALA A 62 10.847 -5.243 2.008 1.00 0.17 C ATOM 0 H ALA A 62 13.029 -3.505 2.049 1.00 0.16 H new ATOM 0 HA ALA A 62 12.592 -6.486 2.174 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.255 -6.019 1.523 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.646 -5.250 3.079 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.579 -4.270 1.595 1.00 0.17 H new ATOM 961 N GLN A 63 13.875 -5.434 -0.100 1.00 0.20 N ATOM 962 CA GLN A 63 14.241 -5.395 -1.544 1.00 0.22 C ATOM 963 C GLN A 63 13.630 -6.595 -2.272 1.00 0.20 C ATOM 964 O GLN A 63 13.557 -6.621 -3.484 1.00 0.20 O ATOM 965 CB GLN A 63 15.765 -5.439 -1.683 1.00 0.29 C ATOM 966 CG GLN A 63 16.324 -6.567 -0.814 1.00 0.90 C ATOM 967 CD GLN A 63 17.819 -6.735 -1.093 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.404 -5.961 -1.824 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.466 -7.722 -0.536 1.00 2.22 N ATOM 0 H GLN A 63 14.665 -5.423 0.545 1.00 0.20 H new ATOM 0 HA GLN A 63 13.857 -4.475 -1.985 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.041 -5.598 -2.725 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.196 -4.485 -1.381 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.163 -6.342 0.240 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.797 -7.498 -1.025 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.975 -8.372 0.078 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.463 -7.844 -0.714 1.00 2.22 H new ATOM 978 N ASP A 64 13.193 -7.589 -1.548 1.00 0.19 N ATOM 979 CA ASP A 64 12.595 -8.779 -2.212 1.00 0.20 C ATOM 980 C ASP A 64 11.244 -8.394 -2.815 1.00 0.17 C ATOM 981 O ASP A 64 10.902 -8.805 -3.906 1.00 0.19 O ATOM 982 CB ASP A 64 12.395 -9.891 -1.181 1.00 0.22 C ATOM 983 CG ASP A 64 11.756 -9.310 0.081 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.442 -8.597 0.795 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.591 -9.589 0.312 1.00 1.11 O ATOM 0 H ASP A 64 13.224 -7.628 -0.529 1.00 0.19 H new ATOM 0 HA ASP A 64 13.260 -9.131 -3.000 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.760 -10.675 -1.595 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.352 -10.352 -0.937 1.00 0.22 H new ATOM 990 N VAL A 65 10.478 -7.604 -2.118 1.00 0.15 N ATOM 991 CA VAL A 65 9.157 -7.185 -2.657 1.00 0.16 C ATOM 992 C VAL A 65 9.385 -6.163 -3.772 1.00 0.16 C ATOM 993 O VAL A 65 8.822 -6.261 -4.845 1.00 0.19 O ATOM 994 CB VAL A 65 8.327 -6.556 -1.536 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.881 -6.385 -2.004 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.362 -7.468 -0.305 1.00 0.18 C ATOM 0 H VAL A 65 10.710 -7.230 -1.198 1.00 0.15 H new ATOM 0 HA VAL A 65 8.621 -8.048 -3.053 1.00 0.16 H new ATOM 0 HB VAL A 65 8.741 -5.581 -1.279 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.291 -5.937 -1.205 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.856 -5.737 -2.880 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.464 -7.359 -2.261 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.771 -7.022 0.495 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.947 -8.443 -0.562 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.392 -7.589 0.029 1.00 0.18 H new ATOM 1006 N ALA A 66 10.222 -5.190 -3.531 1.00 0.16 N ATOM 1007 CA ALA A 66 10.506 -4.170 -4.579 1.00 0.18 C ATOM 1008 C ALA A 66 11.166 -4.858 -5.775 1.00 0.19 C ATOM 1009 O ALA A 66 10.939 -4.499 -6.914 1.00 0.20 O ATOM 1010 CB ALA A 66 11.453 -3.109 -4.015 1.00 0.22 C ATOM 0 H ALA A 66 10.722 -5.058 -2.652 1.00 0.16 H new ATOM 0 HA ALA A 66 9.577 -3.694 -4.892 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.661 -2.363 -4.782 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.988 -2.626 -3.155 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.386 -3.581 -3.706 1.00 0.22 H new ATOM 1016 N SER A 67 11.980 -5.848 -5.524 1.00 0.21 N ATOM 1017 CA SER A 67 12.652 -6.563 -6.643 1.00 0.26 C ATOM 1018 C SER A 67 11.596 -7.261 -7.501 1.00 0.26 C ATOM 1019 O SER A 67 11.623 -7.195 -8.715 1.00 0.29 O ATOM 1020 CB SER A 67 13.620 -7.602 -6.077 1.00 0.31 C ATOM 1021 OG SER A 67 14.752 -6.940 -5.531 1.00 1.29 O ATOM 0 H SER A 67 12.208 -6.191 -4.591 1.00 0.21 H new ATOM 0 HA SER A 67 13.206 -5.850 -7.253 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.126 -8.196 -5.308 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.931 -8.292 -6.862 1.00 0.31 H new ATOM 0 HG SER A 67 14.611 -6.788 -4.573 1.00 1.29 H new ATOM 1027 N GLU A 68 10.662 -7.928 -6.878 1.00 0.26 N ATOM 1028 CA GLU A 68 9.598 -8.629 -7.651 1.00 0.30 C ATOM 1029 C GLU A 68 8.768 -7.597 -8.419 1.00 0.31 C ATOM 1030 O GLU A 68 8.402 -7.805 -9.559 1.00 0.36 O ATOM 1031 CB GLU A 68 8.697 -9.402 -6.677 1.00 0.31 C ATOM 1032 CG GLU A 68 7.483 -9.983 -7.414 1.00 0.39 C ATOM 1033 CD GLU A 68 7.949 -10.805 -8.618 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.473 -11.885 -8.405 1.00 2.20 O ATOM 1035 OE2 GLU A 68 7.771 -10.339 -9.732 1.00 2.19 O ATOM 0 H GLU A 68 10.590 -8.017 -5.864 1.00 0.26 H new ATOM 0 HA GLU A 68 10.049 -9.325 -8.358 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.264 -10.206 -6.208 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.362 -8.740 -5.878 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.902 -10.610 -6.738 1.00 0.39 H new ATOM 0 HG3 GLU A 68 6.827 -9.177 -7.744 1.00 0.39 H new ATOM 1042 N ALA A 69 8.467 -6.483 -7.804 1.00 0.29 N ATOM 1043 CA ALA A 69 7.657 -5.437 -8.500 1.00 0.31 C ATOM 1044 C ALA A 69 8.584 -4.498 -9.277 1.00 0.29 C ATOM 1045 O ALA A 69 8.138 -3.626 -9.997 1.00 0.33 O ATOM 1046 CB ALA A 69 6.871 -4.631 -7.464 1.00 0.31 C ATOM 0 H ALA A 69 8.746 -6.252 -6.851 1.00 0.29 H new ATOM 0 HA ALA A 69 6.966 -5.917 -9.193 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.280 -3.868 -7.969 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.208 -5.297 -6.912 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.565 -4.153 -6.772 1.00 0.31 H new ATOM 1052 N GLU A 70 9.870 -4.673 -9.146 1.00 0.27 N ATOM 1053 CA GLU A 70 10.823 -3.794 -9.882 1.00 0.29 C ATOM 1054 C GLU A 70 10.444 -2.323 -9.683 1.00 0.25 C ATOM 1055 O GLU A 70 10.254 -1.588 -10.632 1.00 0.26 O ATOM 1056 CB GLU A 70 10.780 -4.136 -11.373 1.00 0.38 C ATOM 1057 CG GLU A 70 11.233 -5.584 -11.580 1.00 1.18 C ATOM 1058 CD GLU A 70 12.735 -5.694 -11.306 1.00 1.61 C ATOM 1059 OE1 GLU A 70 13.485 -4.950 -11.916 1.00 2.06 O ATOM 1060 OE2 GLU A 70 13.108 -6.523 -10.492 1.00 2.34 O ATOM 0 H GLU A 70 10.303 -5.387 -8.561 1.00 0.27 H new ATOM 0 HA GLU A 70 11.829 -3.956 -9.496 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.769 -4.002 -11.758 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.427 -3.459 -11.931 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.682 -6.247 -10.914 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.014 -5.902 -12.599 1.00 1.18 H new ATOM 1067 N VAL A 71 10.342 -1.886 -8.457 1.00 0.22 N ATOM 1068 CA VAL A 71 9.989 -0.459 -8.194 1.00 0.19 C ATOM 1069 C VAL A 71 11.228 0.413 -8.411 1.00 0.23 C ATOM 1070 O VAL A 71 12.306 0.094 -7.948 1.00 0.28 O ATOM 1071 CB VAL A 71 9.506 -0.316 -6.753 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.994 1.107 -6.535 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.372 -1.311 -6.498 1.00 0.19 C ATOM 0 H VAL A 71 10.488 -2.456 -7.624 1.00 0.22 H new ATOM 0 HA VAL A 71 9.198 -0.142 -8.873 1.00 0.19 H new ATOM 0 HB VAL A 71 10.328 -0.519 -6.066 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.647 1.216 -5.507 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.800 1.816 -6.723 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.169 1.306 -7.219 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.025 -1.211 -5.470 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.547 -1.106 -7.181 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.735 -2.326 -6.662 1.00 0.19 H new ATOM 1083 N LYS A 72 11.084 1.511 -9.120 1.00 0.24 N ATOM 1084 CA LYS A 72 12.253 2.414 -9.387 1.00 0.29 C ATOM 1085 C LYS A 72 11.919 3.843 -8.942 1.00 0.26 C ATOM 1086 O LYS A 72 12.710 4.750 -9.106 1.00 0.27 O ATOM 1087 CB LYS A 72 12.560 2.413 -10.886 1.00 0.35 C ATOM 1088 CG LYS A 72 12.996 1.012 -11.319 1.00 0.43 C ATOM 1089 CD LYS A 72 13.523 1.060 -12.754 1.00 1.16 C ATOM 1090 CE LYS A 72 13.851 -0.357 -13.229 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.589 -1.136 -13.378 1.00 2.40 N ATOM 0 H LYS A 72 10.202 1.822 -9.527 1.00 0.24 H new ATOM 0 HA LYS A 72 13.119 2.055 -8.830 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.678 2.721 -11.448 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.347 3.134 -11.107 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.770 0.638 -10.649 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.155 0.322 -11.252 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.779 1.511 -13.410 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.414 1.686 -12.804 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.382 -0.319 -14.180 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.512 -0.848 -12.514 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.751 -1.941 -14.016 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.286 -1.487 -12.447 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.848 -0.524 -13.775 1.00 2.40 H new ATOM 1105 N ALA A 73 10.760 4.055 -8.376 1.00 0.22 N ATOM 1106 CA ALA A 73 10.394 5.435 -7.919 1.00 0.20 C ATOM 1107 C ALA A 73 9.433 5.337 -6.737 1.00 0.18 C ATOM 1108 O ALA A 73 8.428 4.674 -6.820 1.00 0.16 O ATOM 1109 CB ALA A 73 9.717 6.202 -9.073 1.00 0.21 C ATOM 0 H ALA A 73 10.053 3.339 -8.210 1.00 0.22 H new ATOM 0 HA ALA A 73 11.295 5.968 -7.614 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.452 7.205 -8.737 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.404 6.271 -9.916 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.815 5.673 -9.382 1.00 0.21 H new ATOM 1115 N THR A 74 9.726 6.001 -5.643 1.00 0.18 N ATOM 1116 CA THR A 74 8.813 5.950 -4.452 1.00 0.17 C ATOM 1117 C THR A 74 8.222 7.356 -4.222 1.00 0.17 C ATOM 1118 O THR A 74 8.879 8.332 -4.522 1.00 0.19 O ATOM 1119 CB THR A 74 9.622 5.548 -3.204 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.793 6.346 -3.138 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.040 4.063 -3.253 1.00 0.19 C ATOM 0 H THR A 74 10.559 6.577 -5.522 1.00 0.18 H new ATOM 0 HA THR A 74 8.019 5.225 -4.628 1.00 0.17 H new ATOM 0 HB THR A 74 8.992 5.701 -2.327 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.314 6.098 -2.346 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.609 3.815 -2.357 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.150 3.436 -3.303 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.657 3.888 -4.134 1.00 0.19 H new ATOM 1129 N PRO A 75 7.021 7.448 -3.671 1.00 0.17 N ATOM 1130 CA PRO A 75 6.170 6.292 -3.282 1.00 0.16 C ATOM 1131 C PRO A 75 5.515 5.650 -4.517 1.00 0.14 C ATOM 1132 O PRO A 75 5.089 6.334 -5.429 1.00 0.14 O ATOM 1133 CB PRO A 75 5.088 6.909 -2.359 1.00 0.17 C ATOM 1134 CG PRO A 75 5.185 8.455 -2.503 1.00 0.20 C ATOM 1135 CD PRO A 75 6.434 8.764 -3.361 1.00 0.19 C ATOM 0 HA PRO A 75 6.744 5.504 -2.794 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.096 6.558 -2.642 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.249 6.608 -1.324 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.287 8.853 -2.976 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.266 8.927 -1.524 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.165 9.300 -4.271 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.140 9.393 -2.818 1.00 0.19 H new ATOM 1143 N THR A 76 5.410 4.339 -4.528 1.00 0.13 N ATOM 1144 CA THR A 76 4.751 3.634 -5.678 1.00 0.12 C ATOM 1145 C THR A 76 3.485 2.972 -5.148 1.00 0.12 C ATOM 1146 O THR A 76 3.550 2.068 -4.340 1.00 0.18 O ATOM 1147 CB THR A 76 5.676 2.540 -6.254 1.00 0.12 C ATOM 1148 OG1 THR A 76 7.013 2.997 -6.233 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.274 2.232 -7.698 1.00 0.13 C ATOM 0 H THR A 76 5.753 3.726 -3.788 1.00 0.13 H new ATOM 0 HA THR A 76 4.530 4.352 -6.468 1.00 0.12 H new ATOM 0 HB THR A 76 5.584 1.637 -5.650 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.072 3.857 -6.699 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.929 1.460 -8.101 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.242 1.881 -7.722 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.364 3.135 -8.301 1.00 0.13 H new ATOM 1157 N PHE A 77 2.333 3.395 -5.588 1.00 0.09 N ATOM 1158 CA PHE A 77 1.082 2.754 -5.085 1.00 0.09 C ATOM 1159 C PHE A 77 0.707 1.612 -6.012 1.00 0.09 C ATOM 1160 O PHE A 77 0.508 1.794 -7.196 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.063 3.761 -5.039 1.00 0.10 C ATOM 1162 CG PHE A 77 0.216 4.762 -3.957 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.037 4.421 -2.617 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.729 6.032 -4.283 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.222 5.356 -1.595 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.988 6.967 -3.263 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.735 6.632 -1.919 1.00 0.12 C ATOM 0 H PHE A 77 2.202 4.147 -6.265 1.00 0.09 H new ATOM 0 HA PHE A 77 1.258 2.383 -4.075 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.163 4.263 -6.001 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.007 3.251 -4.847 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.429 3.445 -2.371 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.923 6.288 -5.314 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.028 5.097 -0.564 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.381 7.942 -3.511 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.933 7.350 -1.137 1.00 0.12 H new ATOM 1177 N GLN A 78 0.607 0.436 -5.469 1.00 0.07 N ATOM 1178 CA GLN A 78 0.239 -0.757 -6.276 1.00 0.07 C ATOM 1179 C GLN A 78 -1.035 -1.336 -5.674 1.00 0.06 C ATOM 1180 O GLN A 78 -1.180 -1.412 -4.470 1.00 0.07 O ATOM 1181 CB GLN A 78 1.378 -1.773 -6.198 1.00 0.08 C ATOM 1182 CG GLN A 78 2.708 -1.069 -6.464 1.00 0.12 C ATOM 1183 CD GLN A 78 3.784 -2.109 -6.784 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.808 -1.784 -7.349 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.592 -3.355 -6.446 1.00 1.03 N ATOM 0 H GLN A 78 0.768 0.246 -4.480 1.00 0.07 H new ATOM 0 HA GLN A 78 0.073 -0.501 -7.322 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.393 -2.243 -5.215 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.222 -2.567 -6.928 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.602 -0.372 -7.296 1.00 0.12 H new ATOM 0 HG3 GLN A 78 3.002 -0.483 -5.593 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.731 -3.628 -5.971 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.303 -4.056 -6.657 1.00 1.03 H new ATOM 1194 N PHE A 79 -1.975 -1.704 -6.501 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.276 -2.235 -5.990 1.00 0.07 C ATOM 1196 C PHE A 79 -3.367 -3.733 -6.248 1.00 0.07 C ATOM 1197 O PHE A 79 -3.093 -4.211 -7.331 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.418 -1.512 -6.714 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.411 -0.053 -6.308 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.365 0.784 -6.725 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.435 0.460 -5.500 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.340 2.137 -6.339 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.415 1.809 -5.102 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.368 2.650 -5.523 1.00 0.11 C ATOM 0 H PHE A 79 -1.899 -1.660 -7.517 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.348 -2.063 -4.916 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.297 -1.603 -7.793 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.374 -1.969 -6.460 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.575 0.388 -7.346 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.242 -0.183 -5.182 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.536 2.780 -6.667 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.202 2.199 -4.474 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.352 3.687 -5.221 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.761 -4.475 -5.244 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.893 -5.954 -5.383 1.00 0.08 C ATOM 1216 C PHE A 80 -5.284 -6.367 -4.917 1.00 0.11 C ATOM 1217 O PHE A 80 -5.929 -5.670 -4.155 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.841 -6.652 -4.519 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.481 -6.537 -5.173 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.655 -5.434 -4.887 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.033 -7.538 -6.059 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.614 -5.329 -5.485 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.240 -7.432 -6.657 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.063 -6.325 -6.367 1.00 0.14 C ATOM 0 H PHE A 80 -4.000 -4.111 -4.321 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.745 -6.240 -6.424 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.816 -6.203 -3.526 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.104 -7.702 -4.387 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.996 -4.667 -4.207 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.664 -8.386 -6.280 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.244 -4.480 -5.265 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.584 -8.198 -7.336 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.039 -6.243 -6.823 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.753 -7.493 -5.368 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.102 -7.957 -4.954 1.00 0.14 C ATOM 1236 C LYS A 81 -7.139 -9.474 -5.115 1.00 0.14 C ATOM 1237 O LYS A 81 -6.845 -9.995 -6.170 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.161 -7.289 -5.848 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.531 -7.302 -5.152 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.514 -6.425 -5.935 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.768 -6.191 -5.092 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.704 -5.295 -5.831 1.00 1.48 N ATOM 0 H LYS A 81 -5.258 -8.114 -6.008 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.312 -7.691 -3.918 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.867 -6.263 -6.067 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.225 -7.813 -6.802 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.909 -8.323 -5.090 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.435 -6.935 -4.130 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.048 -5.472 -6.186 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.779 -6.908 -6.876 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.254 -7.142 -4.873 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.498 -5.743 -4.136 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.653 -5.362 -5.411 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.367 -4.313 -5.769 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.746 -5.584 -6.829 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.471 -10.184 -4.073 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.498 -11.670 -4.159 1.00 0.20 C ATOM 1258 C LYS A 82 -6.128 -12.186 -4.619 1.00 0.20 C ATOM 1259 O LYS A 82 -5.999 -13.309 -5.065 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.582 -12.119 -5.151 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.957 -12.091 -4.475 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.021 -12.561 -5.470 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.414 -12.251 -4.917 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.448 -12.759 -5.863 1.00 1.67 N ATOM 0 H LYS A 82 -7.725 -9.798 -3.164 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.726 -12.080 -3.175 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.583 -11.464 -6.022 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.364 -13.125 -5.509 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.956 -12.735 -3.596 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.185 -11.082 -4.131 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.881 -12.064 -6.430 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.919 -13.632 -5.648 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.541 -12.716 -3.939 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.531 -11.176 -4.777 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.395 -12.549 -5.488 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.331 -12.296 -6.787 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.341 -13.787 -5.975 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.102 -11.385 -4.499 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.738 -11.843 -4.912 1.00 0.21 C ATOM 1280 C GLY A 83 -3.427 -11.400 -6.346 1.00 0.19 C ATOM 1281 O GLY A 83 -2.355 -11.663 -6.856 1.00 0.22 O ATOM 0 H GLY A 83 -5.147 -10.434 -4.133 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.991 -11.436 -4.231 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.677 -12.929 -4.841 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.347 -10.734 -7.006 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.092 -10.280 -8.419 1.00 0.17 C ATOM 1287 C GLN A 84 -3.935 -8.760 -8.468 1.00 0.16 C ATOM 1288 O GLN A 84 -4.543 -8.033 -7.709 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.271 -10.670 -9.309 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.587 -12.159 -9.130 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.329 -12.989 -9.393 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.577 -13.344 -8.387 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.027 -13.316 -10.523 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.262 -10.484 -6.631 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.178 -10.757 -8.772 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.145 -10.070 -9.054 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.035 -10.462 -10.353 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.952 -12.344 -8.120 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.381 -12.457 -9.815 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.615 -13.038 -11.309 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.185 -13.868 -10.686 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.123 -8.278 -9.376 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.916 -6.806 -9.505 1.00 0.17 C ATOM 1304 C LYS A 85 -4.009 -6.228 -10.410 1.00 0.16 C ATOM 1305 O LYS A 85 -4.388 -6.834 -11.395 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.535 -6.541 -10.110 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.111 -5.104 -9.775 1.00 0.25 C ATOM 1308 CD LYS A 85 0.234 -4.776 -10.426 1.00 0.30 C ATOM 1309 CE LYS A 85 1.301 -5.797 -10.008 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.240 -6.981 -10.912 1.00 1.70 N ATOM 0 H LYS A 85 -2.592 -8.846 -10.036 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.971 -6.331 -8.525 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.808 -7.250 -9.714 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.563 -6.683 -11.190 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.870 -4.404 -10.123 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.038 -4.983 -8.694 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.128 -4.776 -11.511 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.549 -3.774 -10.136 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.291 -5.343 -10.053 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.139 -6.106 -8.975 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.036 -7.834 -10.353 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.488 -6.841 -11.617 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.153 -7.095 -11.397 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.536 -5.072 -10.072 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.627 -4.455 -10.898 1.00 0.16 C ATOM 1326 C VAL A 86 -5.245 -3.033 -11.322 1.00 0.18 C ATOM 1327 O VAL A 86 -5.945 -2.401 -12.088 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.904 -4.407 -10.061 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.476 -5.818 -9.936 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.580 -3.869 -8.666 1.00 0.17 C ATOM 0 H VAL A 86 -4.256 -4.527 -9.256 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.780 -5.054 -11.796 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.632 -3.755 -10.543 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.388 -5.789 -9.339 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.704 -6.208 -10.928 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.745 -6.465 -9.451 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.491 -3.835 -8.069 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.854 -4.523 -8.183 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.164 -2.865 -8.751 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.147 -2.520 -10.839 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.746 -1.135 -11.238 1.00 0.18 C ATOM 1342 C GLY A 87 -2.580 -0.645 -10.373 1.00 0.10 C ATOM 1343 O GLY A 87 -2.174 -1.297 -9.432 1.00 0.08 O ATOM 0 H GLY A 87 -3.514 -2.991 -10.192 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.458 -1.122 -12.289 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.595 -0.459 -11.132 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.038 0.504 -10.691 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.898 1.042 -9.893 1.00 0.10 C ATOM 1349 C GLU A 88 -0.553 2.456 -10.355 1.00 0.10 C ATOM 1350 O GLU A 88 -0.816 2.837 -11.479 1.00 0.11 O ATOM 1351 CB GLU A 88 0.323 0.143 -10.078 1.00 0.17 C ATOM 1352 CG GLU A 88 0.611 -0.025 -11.569 1.00 0.25 C ATOM 1353 CD GLU A 88 1.794 -0.975 -11.757 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.986 -1.828 -10.906 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.491 -0.834 -12.749 1.00 1.94 O ATOM 0 H GLU A 88 -2.337 1.092 -11.469 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.184 1.067 -8.842 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.187 0.578 -9.577 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.145 -0.830 -9.619 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.269 -0.418 -12.078 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.833 0.943 -12.018 1.00 0.25 H new ATOM 1362 N PHE A 89 0.058 3.228 -9.499 1.00 0.09 N ATOM 1363 CA PHE A 89 0.445 4.611 -9.893 1.00 0.09 C ATOM 1364 C PHE A 89 1.384 5.219 -8.847 1.00 0.09 C ATOM 1365 O PHE A 89 1.137 5.163 -7.663 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.805 5.495 -10.090 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.430 5.895 -8.766 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.807 6.857 -7.939 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.652 5.314 -8.362 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.402 7.229 -6.722 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.245 5.691 -7.144 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.622 6.648 -6.323 1.00 0.11 C ATOM 0 H PHE A 89 0.305 2.961 -8.546 1.00 0.09 H new ATOM 0 HA PHE A 89 0.975 4.563 -10.844 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.532 6.391 -10.648 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.539 4.957 -10.690 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.127 7.306 -8.243 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.132 4.578 -8.990 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.923 7.962 -6.090 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.180 5.245 -6.839 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.078 6.937 -5.388 1.00 0.11 H new ATOM 1382 N SER A 90 2.472 5.804 -9.285 1.00 0.13 N ATOM 1383 CA SER A 90 3.442 6.430 -8.332 1.00 0.14 C ATOM 1384 C SER A 90 3.247 7.946 -8.342 1.00 0.14 C ATOM 1385 O SER A 90 2.240 8.449 -8.799 1.00 0.17 O ATOM 1386 CB SER A 90 4.871 6.099 -8.772 1.00 0.15 C ATOM 1387 OG SER A 90 5.262 6.983 -9.816 1.00 0.16 O ATOM 0 H SER A 90 2.732 5.875 -10.269 1.00 0.13 H new ATOM 0 HA SER A 90 3.272 6.044 -7.327 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.554 6.192 -7.927 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.927 5.066 -9.115 1.00 0.15 H new ATOM 0 HG SER A 90 6.135 7.374 -9.604 1.00 0.16 H new ATOM 1393 N GLY A 91 4.205 8.677 -7.849 1.00 0.12 N ATOM 1394 CA GLY A 91 4.078 10.164 -7.835 1.00 0.13 C ATOM 1395 C GLY A 91 3.231 10.597 -6.637 1.00 0.13 C ATOM 1396 O GLY A 91 2.136 10.113 -6.431 1.00 0.13 O ATOM 0 H GLY A 91 5.072 8.312 -7.454 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.065 10.623 -7.780 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.618 10.508 -8.761 1.00 0.13 H new ATOM 1400 N ALA A 92 3.732 11.503 -5.844 1.00 0.15 N ATOM 1401 CA ALA A 92 2.957 11.964 -4.655 1.00 0.17 C ATOM 1402 C ALA A 92 1.541 12.375 -5.071 1.00 0.15 C ATOM 1403 O ALA A 92 1.298 13.503 -5.454 1.00 0.16 O ATOM 1404 CB ALA A 92 3.670 13.167 -4.018 1.00 0.20 C ATOM 0 H ALA A 92 4.643 11.944 -5.966 1.00 0.15 H new ATOM 0 HA ALA A 92 2.892 11.148 -3.936 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.106 13.506 -3.149 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.673 12.873 -3.708 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.738 13.976 -4.745 1.00 0.20 H new ATOM 1410 N ASN A 93 0.600 11.474 -4.969 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.815 11.803 -5.322 1.00 0.13 C ATOM 1412 C ASN A 93 -1.720 11.191 -4.253 1.00 0.12 C ATOM 1413 O ASN A 93 -2.354 10.172 -4.450 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.159 11.233 -6.699 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.372 11.974 -7.256 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.202 12.451 -6.509 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.511 12.092 -8.542 1.00 1.15 N ATOM 0 H ASN A 93 0.751 10.516 -4.654 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.956 12.883 -5.360 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.310 11.341 -7.374 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.372 10.167 -6.622 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.318 12.585 -8.925 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.814 11.691 -9.169 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.743 11.808 -3.111 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.557 11.295 -1.968 1.00 0.20 C ATOM 1426 C LYS A 94 -4.057 11.366 -2.276 1.00 0.18 C ATOM 1427 O LYS A 94 -4.802 10.459 -1.961 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.248 12.130 -0.717 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.102 13.609 -1.109 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.012 14.488 0.144 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.611 14.386 0.763 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.427 14.671 -0.271 1.00 1.19 N ATOM 0 H LYS A 94 -1.224 12.663 -2.912 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.297 10.250 -1.799 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.046 12.015 0.016 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.330 11.775 -0.248 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.209 13.743 -1.720 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.953 13.917 -1.716 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.229 15.525 -0.114 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.762 14.176 0.871 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.517 15.092 1.588 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.459 13.389 1.177 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.281 15.047 0.189 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.664 13.793 -0.776 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.061 15.371 -0.947 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.514 12.433 -2.864 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.968 12.549 -3.157 1.00 0.20 C ATOM 1448 C GLU A 95 -6.385 11.484 -4.175 1.00 0.17 C ATOM 1449 O GLU A 95 -7.523 11.059 -4.210 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.253 13.938 -3.727 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.185 14.976 -2.604 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.531 16.357 -3.164 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.626 16.476 -4.375 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.695 17.270 -2.373 1.00 1.86 O ATOM 0 H GLU A 95 -3.946 13.229 -3.154 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.535 12.401 -2.238 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.528 14.179 -4.504 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.238 13.956 -4.194 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.879 14.711 -1.807 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.187 14.989 -2.166 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.477 11.051 -5.003 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.824 10.017 -6.016 1.00 0.14 C ATOM 1463 C LYS A 96 -6.098 8.687 -5.317 1.00 0.12 C ATOM 1464 O LYS A 96 -6.913 7.911 -5.764 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.673 9.861 -7.015 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.937 8.669 -7.946 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.929 8.683 -9.114 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.425 9.600 -10.252 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.188 8.788 -11.242 1.00 2.05 N ATOM 0 H LYS A 96 -4.508 11.369 -5.022 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.719 10.326 -6.556 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.565 10.773 -7.602 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.735 9.713 -6.480 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.850 7.736 -7.390 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.955 8.716 -8.332 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.958 9.029 -8.759 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.788 7.670 -9.492 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.058 10.390 -9.848 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.579 10.086 -10.738 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.524 9.403 -12.010 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.570 8.049 -11.635 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.003 8.344 -10.773 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.437 8.408 -4.225 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.705 7.113 -3.535 1.00 0.11 C ATOM 1485 C LEU A 97 -7.206 7.002 -3.278 1.00 0.11 C ATOM 1486 O LEU A 97 -7.782 5.934 -3.346 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.967 7.049 -2.187 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.457 7.267 -2.378 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.828 7.697 -1.043 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.784 5.965 -2.850 1.00 0.13 C ATOM 0 H LEU A 97 -4.737 9.007 -3.788 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.354 6.296 -4.166 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.366 7.807 -1.513 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.142 6.081 -1.717 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.308 8.042 -3.130 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.758 7.852 -1.178 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.289 8.625 -0.706 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.991 6.919 -0.297 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.715 6.135 -2.981 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.939 5.185 -2.105 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.221 5.653 -3.799 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.843 8.099 -2.982 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.311 8.054 -2.720 1.00 0.14 C ATOM 1504 C GLU A 98 -10.050 7.703 -4.014 1.00 0.13 C ATOM 1505 O GLU A 98 -10.823 6.768 -4.068 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.783 9.421 -2.219 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.264 9.343 -1.843 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.671 10.621 -1.108 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.386 10.718 0.074 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.263 11.481 -1.740 1.00 2.05 O ATOM 0 H GLU A 98 -7.415 9.022 -2.910 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.521 7.297 -1.964 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.193 9.727 -1.355 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.632 10.175 -2.991 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.872 9.217 -2.739 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.444 8.474 -1.211 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.821 8.456 -5.055 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.510 8.184 -6.348 1.00 0.14 C ATOM 1519 C ALA A 99 -10.178 6.773 -6.843 1.00 0.12 C ATOM 1520 O ALA A 99 -11.033 6.069 -7.336 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.052 9.206 -7.391 1.00 0.15 C ATOM 0 H ALA A 99 -9.183 9.252 -5.065 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.587 8.262 -6.197 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.554 9.009 -8.338 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.301 10.211 -7.050 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.974 9.127 -7.529 1.00 0.15 H new ATOM 1527 N THR A 100 -8.946 6.358 -6.726 1.00 0.11 N ATOM 1528 CA THR A 100 -8.562 4.997 -7.205 1.00 0.11 C ATOM 1529 C THR A 100 -9.251 3.932 -6.347 1.00 0.10 C ATOM 1530 O THR A 100 -9.790 2.966 -6.852 1.00 0.11 O ATOM 1531 CB THR A 100 -7.043 4.832 -7.099 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.406 5.969 -7.665 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.609 3.575 -7.852 1.00 0.12 C ATOM 0 H THR A 100 -8.186 6.903 -6.319 1.00 0.11 H new ATOM 0 HA THR A 100 -8.873 4.879 -8.243 1.00 0.11 H new ATOM 0 HB THR A 100 -6.760 4.739 -6.051 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.494 6.731 -7.055 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.528 3.460 -7.775 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.099 2.703 -7.418 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.891 3.664 -8.901 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.237 4.102 -5.056 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.894 3.105 -4.159 1.00 0.11 C ATOM 1543 C ILE A 101 -11.393 3.053 -4.472 1.00 0.13 C ATOM 1544 O ILE A 101 -11.948 2.000 -4.713 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.671 3.526 -2.696 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.214 3.226 -2.305 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.617 2.750 -1.771 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.850 3.900 -0.967 1.00 0.18 C ATOM 0 H ILE A 101 -8.798 4.890 -4.579 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.465 2.116 -4.318 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.874 4.592 -2.594 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.070 2.149 -2.224 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.544 3.579 -3.088 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.449 3.057 -0.739 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.650 2.959 -2.049 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.425 1.681 -1.868 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.815 3.672 -0.714 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.972 4.979 -1.058 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.506 3.526 -0.181 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.053 4.177 -4.464 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.515 4.183 -4.755 1.00 0.17 C ATOM 1562 C ASN A 102 -13.758 3.627 -6.163 1.00 0.18 C ATOM 1563 O ASN A 102 -14.859 3.255 -6.513 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.045 5.618 -4.665 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.568 5.597 -4.507 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.086 4.994 -3.587 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.311 6.234 -5.370 1.00 1.03 N ATOM 0 H ASN A 102 -11.645 5.091 -4.269 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.036 3.560 -4.028 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.589 6.132 -3.819 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.770 6.174 -5.561 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.326 6.226 -5.273 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.876 6.740 -6.142 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.734 3.573 -6.972 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.902 3.045 -8.356 1.00 0.18 C ATOM 1576 C GLU A 103 -12.970 1.516 -8.330 1.00 0.19 C ATOM 1577 O GLU A 103 -13.910 0.914 -8.810 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.705 3.479 -9.212 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.063 3.362 -10.697 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.834 3.691 -11.546 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.859 2.964 -11.450 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.888 4.665 -12.280 1.00 2.02 O ATOM 0 H GLU A 103 -11.788 3.872 -6.734 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.826 3.439 -8.778 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.429 4.506 -8.974 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.839 2.856 -8.986 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.412 2.354 -10.919 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.879 4.043 -10.940 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.957 0.886 -7.795 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.925 -0.607 -7.755 1.00 0.19 C ATOM 1591 C LEU A 104 -12.517 -1.112 -6.435 1.00 0.19 C ATOM 1592 O LEU A 104 -12.319 -2.249 -6.054 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.468 -1.076 -7.879 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.819 -0.463 -9.130 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.302 -0.639 -9.051 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.339 -1.157 -10.393 1.00 0.35 C ATOM 0 H LEU A 104 -11.145 1.344 -7.381 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.517 -1.005 -8.579 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.908 -0.786 -6.990 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.432 -2.164 -7.937 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.071 0.596 -9.175 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.839 -0.205 -9.937 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.923 -0.137 -8.161 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.061 -1.701 -8.999 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.871 -0.713 -11.271 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.097 -2.219 -10.351 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.420 -1.034 -10.457 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.247 -0.287 -5.735 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.848 -0.740 -4.448 1.00 0.22 C ATOM 1610 C VAL A 105 -14.856 -1.859 -4.724 1.00 0.26 C ATOM 1611 O VAL A 105 -14.932 -2.773 -3.922 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.561 0.431 -3.769 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.678 0.946 -4.679 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.161 -0.037 -2.442 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.536 -1.779 -5.735 1.00 1.18 O ATOM 0 H VAL A 105 -13.453 0.677 -5.997 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.060 -1.110 -3.792 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.846 1.232 -3.583 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.186 1.780 -4.195 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.252 1.280 -5.625 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.393 0.145 -4.866 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.669 0.797 -1.958 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.876 -0.838 -2.628 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.366 -0.404 -1.793 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.997 0.400 6.202 1.00 0.00 N ATOM 1627 CA PHE B 1 22.441 1.549 5.433 1.00 0.00 C ATOM 1628 C PHE B 1 21.143 1.114 4.737 1.00 0.00 C ATOM 1629 O PHE B 1 20.991 -0.029 4.353 1.00 0.00 O ATOM 1630 CB PHE B 1 23.476 2.011 4.390 1.00 0.00 C ATOM 1631 CG PHE B 1 23.485 1.066 3.207 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.599 1.282 2.136 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.369 -0.030 3.181 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.593 0.405 1.036 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.366 -0.910 2.080 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.477 -0.693 1.008 1.00 0.00 C ATOM 0 H1 PHE B 1 23.588 0.756 6.980 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.217 -0.167 6.592 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.574 -0.193 5.572 1.00 0.00 H new ATOM 0 HA PHE B 1 22.222 2.377 6.107 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.240 3.021 4.056 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.467 2.048 4.842 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.922 2.123 2.158 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.049 -0.196 4.004 1.00 0.00 H new ATOM 0 HE1 PHE B 1 21.912 0.573 0.214 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.044 -1.750 2.058 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.473 -1.368 0.165 1.00 0.00 H new ATOM 1648 N ARG B 2 20.207 2.019 4.576 1.00 0.00 N ATOM 1649 CA ARG B 2 18.910 1.675 3.905 1.00 0.00 C ATOM 1650 C ARG B 2 18.643 2.676 2.778 1.00 0.00 C ATOM 1651 O ARG B 2 17.736 3.481 2.856 1.00 0.00 O ATOM 1652 CB ARG B 2 17.773 1.757 4.931 1.00 0.00 C ATOM 1653 CG ARG B 2 18.000 0.727 6.058 1.00 0.00 C ATOM 1654 CD ARG B 2 17.332 -0.605 5.697 1.00 0.00 C ATOM 1655 NE ARG B 2 15.850 -0.509 5.925 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.346 -0.244 7.103 1.00 0.00 C ATOM 1657 NH1 ARG B 2 16.114 -0.192 8.155 1.00 0.00 N ATOM 1658 NH2 ARG B 2 14.059 -0.076 7.232 1.00 0.00 N ATOM 0 H ARG B 2 20.285 2.989 4.883 1.00 0.00 H new ATOM 0 HA ARG B 2 18.965 0.666 3.496 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.723 2.762 5.351 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.817 1.568 4.442 1.00 0.00 H new ATOM 0 HG2 ARG B 2 19.068 0.576 6.214 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.591 1.106 6.995 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.534 -0.853 4.655 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.751 -1.409 6.303 1.00 0.00 H new ATOM 0 HE ARG B 2 15.218 -0.655 5.138 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.116 -0.359 8.064 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.713 0.015 9.070 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.451 -0.151 6.417 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.661 0.131 8.148 1.00 0.00 H new ATOM 1672 N PHE B 3 19.432 2.630 1.730 1.00 0.00 N ATOM 1673 CA PHE B 3 19.244 3.574 0.579 1.00 0.00 C ATOM 1674 C PHE B 3 18.939 2.777 -0.692 1.00 0.00 C ATOM 1675 O PHE B 3 19.365 1.650 -0.848 1.00 0.00 O ATOM 1676 CB PHE B 3 20.528 4.390 0.381 1.00 0.00 C ATOM 1677 CG PHE B 3 20.595 5.491 1.419 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.957 5.188 2.745 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.291 6.819 1.057 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.016 6.212 3.711 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.349 7.843 2.023 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.712 7.540 3.350 1.00 0.00 C ATOM 0 H PHE B 3 20.205 1.973 1.621 1.00 0.00 H new ATOM 0 HA PHE B 3 18.413 4.247 0.788 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.400 3.742 0.467 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.547 4.819 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.190 4.170 3.022 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.014 7.051 0.039 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.294 5.979 4.728 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.115 8.860 1.746 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.757 8.325 4.090 1.00 0.00 H new ATOM 1692 N ARG B 4 18.197 3.357 -1.601 1.00 0.00 N ATOM 1693 CA ARG B 4 17.852 2.639 -2.867 1.00 0.00 C ATOM 1694 C ARG B 4 17.802 3.653 -4.025 1.00 0.00 C ATOM 1695 O ARG B 4 18.832 4.086 -4.505 1.00 0.00 O ATOM 1696 CB ARG B 4 16.489 1.941 -2.688 1.00 0.00 C ATOM 1697 CG ARG B 4 16.694 0.495 -2.203 1.00 0.00 C ATOM 1698 CD ARG B 4 17.352 -0.365 -3.306 1.00 0.00 C ATOM 1699 NE ARG B 4 16.694 -1.702 -3.342 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.879 -2.493 -4.365 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.646 -2.116 -5.351 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.294 -3.659 -4.401 1.00 0.00 N ATOM 0 H ARG B 4 17.814 4.299 -1.521 1.00 0.00 H new ATOM 0 HA ARG B 4 18.605 1.886 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.882 2.491 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.944 1.942 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.320 0.491 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.734 0.061 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.256 0.127 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.418 -0.476 -3.110 1.00 0.00 H new ATOM 0 HE ARG B 4 16.100 -1.999 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.101 -1.204 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.790 -2.734 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.693 -3.952 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.438 -4.277 -5.199 1.00 0.00 H new ATOM 1716 N TYR B 5 16.623 4.027 -4.483 1.00 0.00 N ATOM 1717 CA TYR B 5 16.516 5.008 -5.618 1.00 0.00 C ATOM 1718 C TYR B 5 15.891 6.331 -5.145 1.00 0.00 C ATOM 1719 O TYR B 5 15.802 6.606 -3.966 1.00 0.00 O ATOM 1720 CB TYR B 5 15.699 4.394 -6.772 1.00 0.00 C ATOM 1721 CG TYR B 5 14.557 3.559 -6.252 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.770 2.215 -5.882 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.271 4.113 -6.173 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.690 1.433 -5.422 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.195 3.336 -5.721 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.402 1.995 -5.342 1.00 0.00 C ATOM 1727 OH TYR B 5 11.344 1.231 -4.898 1.00 0.00 O ATOM 0 H TYR B 5 15.730 3.694 -4.118 1.00 0.00 H new ATOM 0 HA TYR B 5 17.520 5.229 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.310 5.189 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.349 3.778 -7.393 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.758 1.785 -5.951 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.109 5.141 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.851 0.405 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.206 3.766 -5.663 1.00 0.00 H new ATOM 0 HH TYR B 5 11.665 0.338 -4.652 1.00 0.00 H new ATOM 1737 N VAL B 6 15.517 7.171 -6.075 1.00 0.00 N ATOM 1738 CA VAL B 6 14.962 8.516 -5.723 1.00 0.00 C ATOM 1739 C VAL B 6 13.570 8.434 -5.090 1.00 0.00 C ATOM 1740 O VAL B 6 12.760 7.593 -5.426 1.00 0.00 O ATOM 1741 CB VAL B 6 14.855 9.361 -6.999 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.799 10.844 -6.634 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.066 9.105 -7.887 1.00 0.00 C ATOM 0 H VAL B 6 15.573 6.982 -7.076 1.00 0.00 H new ATOM 0 HA VAL B 6 15.639 8.963 -4.995 1.00 0.00 H new ATOM 0 HB VAL B 6 13.946 9.085 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.723 11.440 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.929 11.031 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.705 11.120 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.987 9.707 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.975 9.376 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.104 8.049 -8.155 1.00 0.00 H new ATOM 1753 N CYS B 7 13.282 9.361 -4.207 1.00 0.00 N ATOM 1754 CA CYS B 7 11.936 9.429 -3.568 1.00 0.00 C ATOM 1755 C CYS B 7 11.145 10.532 -4.263 1.00 0.00 C ATOM 1756 O CYS B 7 11.269 11.695 -3.930 1.00 0.00 O ATOM 1757 CB CYS B 7 12.071 9.764 -2.080 1.00 0.00 C ATOM 1758 SG CYS B 7 13.324 8.705 -1.315 1.00 0.00 S ATOM 0 H CYS B 7 13.935 10.082 -3.900 1.00 0.00 H new ATOM 0 HA CYS B 7 11.430 8.468 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.346 10.812 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.112 9.626 -1.580 1.00 0.00 H new ATOM 1763 N GLU B 8 10.352 10.192 -5.244 1.00 0.00 N ATOM 1764 CA GLU B 8 9.585 11.248 -5.969 1.00 0.00 C ATOM 1765 C GLU B 8 8.301 11.589 -5.212 1.00 0.00 C ATOM 1766 O GLU B 8 7.240 11.749 -5.793 1.00 0.00 O ATOM 1767 CB GLU B 8 9.237 10.767 -7.379 1.00 0.00 C ATOM 1768 CG GLU B 8 8.734 9.325 -7.320 1.00 0.00 C ATOM 1769 CD GLU B 8 8.038 8.973 -8.637 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.553 9.355 -9.675 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.005 8.326 -8.584 1.00 0.00 O ATOM 0 H GLU B 8 10.202 9.238 -5.573 1.00 0.00 H new ATOM 0 HA GLU B 8 10.205 12.142 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.474 11.411 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.114 10.831 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.567 8.645 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.042 9.204 -6.487 1.00 0.00 H new ATOM 1778 N GLY B 9 8.395 11.744 -3.925 1.00 0.00 N ATOM 1779 CA GLY B 9 7.192 12.125 -3.138 1.00 0.00 C ATOM 1780 C GLY B 9 6.872 13.593 -3.487 1.00 0.00 C ATOM 1781 O GLY B 9 6.879 13.928 -4.655 1.00 0.00 O ATOM 0 H GLY B 9 9.251 11.624 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.350 11.478 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.379 12.014 -2.070 1.00 0.00 H new ATOM 1785 N PRO B 10 6.625 14.453 -2.513 1.00 0.00 N ATOM 1786 CA PRO B 10 6.347 15.869 -2.821 1.00 0.00 C ATOM 1787 C PRO B 10 7.615 16.521 -3.405 1.00 0.00 C ATOM 1788 O PRO B 10 7.793 17.723 -3.351 1.00 0.00 O ATOM 1789 CB PRO B 10 5.952 16.508 -1.465 1.00 0.00 C ATOM 1790 CG PRO B 10 6.105 15.408 -0.373 1.00 0.00 C ATOM 1791 CD PRO B 10 6.579 14.113 -1.075 1.00 0.00 C ATOM 0 HA PRO B 10 5.555 15.999 -3.558 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.591 17.362 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.927 16.877 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.825 15.718 0.384 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.157 15.241 0.138 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.558 13.803 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.893 13.288 -0.886 1.00 0.00 H new ATOM 1799 N SER B 11 8.492 15.727 -3.963 1.00 0.00 N ATOM 1800 CA SER B 11 9.747 16.272 -4.549 1.00 0.00 C ATOM 1801 C SER B 11 9.490 16.683 -5.999 1.00 0.00 C ATOM 1802 O SER B 11 9.922 17.728 -6.445 1.00 0.00 O ATOM 1803 CB SER B 11 10.827 15.186 -4.509 1.00 0.00 C ATOM 1804 OG SER B 11 12.025 15.697 -5.075 1.00 0.00 O ATOM 0 H SER B 11 8.389 14.715 -4.037 1.00 0.00 H new ATOM 0 HA SER B 11 10.077 17.141 -3.979 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.003 14.869 -3.481 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.496 14.307 -5.062 1.00 0.00 H new ATOM 0 HG SER B 11 12.719 15.006 -5.050 1.00 0.00 H new ATOM 1810 N HIS B 12 8.791 15.867 -6.739 1.00 0.00 N ATOM 1811 CA HIS B 12 8.506 16.205 -8.161 1.00 0.00 C ATOM 1812 C HIS B 12 7.740 17.527 -8.231 1.00 0.00 C ATOM 1813 O HIS B 12 6.960 17.852 -7.358 1.00 0.00 O ATOM 1814 CB HIS B 12 7.663 15.094 -8.789 1.00 0.00 C ATOM 1815 CG HIS B 12 7.492 15.362 -10.258 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.260 16.298 -10.932 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.645 14.826 -11.196 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.864 16.297 -12.218 1.00 0.00 C ATOM 1819 NE2 HIS B 12 6.882 15.417 -12.434 1.00 0.00 N ATOM 0 H HIS B 12 8.404 14.979 -6.419 1.00 0.00 H new ATOM 0 HA HIS B 12 9.445 16.302 -8.705 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.145 14.128 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.689 15.043 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS B 12 5.907 14.062 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.288 16.931 -12.983 1.00 0.00 H new ATOM 0 HE2 HIS B 12 6.408 15.221 -13.316 1.00 0.00 H new ATOM 1827 N GLY B 13 7.955 18.293 -9.266 1.00 0.00 N ATOM 1828 CA GLY B 13 7.239 19.593 -9.394 1.00 0.00 C ATOM 1829 C GLY B 13 5.782 19.339 -9.785 1.00 0.00 C ATOM 1830 O GLY B 13 5.079 18.721 -9.004 1.00 0.00 O ATOM 1831 OXT GLY B 13 5.396 19.765 -10.861 1.00 0.00 O ATOM 0 H GLY B 13 8.596 18.074 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY B 13 7.283 20.139 -8.451 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.725 20.215 -10.146 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.126 -10.366 -1.219 1.00 0.24 O HETATM 1839 O HOH A 107 8.339 -3.075 5.043 1.00 0.40 O HETATM 1842 O HOH A 108 12.865 1.456 2.356 1.00 0.32 O HETATM 1845 O HOH A 109 -8.978 -8.711 -0.173 1.00 0.26 O HETATM 1848 O HOH A 110 -7.465 -12.780 0.612 1.00 0.21 O HETATM 1851 O HOH A 111 -12.172 -2.696 0.334 1.00 0.37 O