USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1150 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 83 TYR OH : rot 41:sc= 0.219 USER MOD Set 1.2: B 117 ASN : amide:sc= 0.0683 X(o=0.38,f=0.51) USER MOD Set 1.3: B 118 THR OG1 : rot -161:sc= 0.094 USER MOD Set 2.1: B 59 TYR OH : rot 180:sc= 1.04 USER MOD Set 2.2: B 99 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 68 HIS : no HD1:sc= 0.475 K(o=0.39,f=-3.8) USER MOD Set 3.2: B 109 GLN :FLIP amide:sc= -0.0852 F(o=-1.3!,f=0.39) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.11 (180deg=-0.549) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.3 (180deg=1.12) USER MOD Single : A 2 GLN :FLIP amide:sc= -2.32! C(o=-3.8!,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= 0.766 (180deg=-0.954!) USER MOD Single : A 7 THR OG1 : rot -84:sc= 0.239 USER MOD Single : A 9 THR OG1 : rot -48:sc= 0.645 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 0.78 (180deg=0.274) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 2.04 (180deg=0.548) USER MOD Single : A 31 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 0.802 (180deg=0.398) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.4! C(o=-2.4!,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.994 K(o=0.99,f=-5.3!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.632 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 62 GLN : amide:sc= 0.149 K(o=0.15,f=-1.9) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.784) USER MOD Single : A 65 SER OG : rot -100:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot -115:sc= 1.3 USER MOD Single : B 56 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.606) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0.141 USER MOD Single : B 73 ASN : amide:sc= 1.12 K(o=1.1,f=-0.13) USER MOD Single : B 78 SER OG : rot -77:sc= 1.33 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 ASN : amide:sc= -0.111! X(o=-0.11!,f=-0.27) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot 5:sc= 1.05 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.3!) USER MOD Single : B 98 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.12) USER MOD Single : B 100 ASN : amide:sc= -0.0186 X(o=-0.019,f=0.00025) USER MOD Single : B 103 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.2!) USER MOD Single : B 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ -160:sc= 1.73 (180deg=0.693) USER MOD Single : B 119 LYS NZ :NH3+ -156:sc= 0.924 (180deg=-0.444!) USER MOD Single : B 121 GLN : amide:sc= 0.936 K(o=0.94,f=-0.32) USER MOD Single : B 122 MET CE :methyl 161:sc= -0.0394 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.001 5.097 -7.566 1.00 1.19 N ATOM 2 CA MET A 1 -19.660 5.711 -7.621 1.00 1.06 C ATOM 3 C MET A 1 -18.593 4.639 -7.776 1.00 1.03 C ATOM 4 O MET A 1 -18.661 3.579 -7.149 1.00 1.13 O ATOM 5 CB MET A 1 -19.391 6.553 -6.365 1.00 1.01 C ATOM 6 CG MET A 1 -19.630 5.818 -5.054 1.00 1.07 C ATOM 7 SD MET A 1 -19.121 6.776 -3.614 1.00 1.25 S ATOM 8 CE MET A 1 -20.095 8.266 -3.816 1.00 1.32 C ATOM 0 H1 MET A 1 -21.671 5.764 -7.132 1.00 1.19 H new ATOM 0 H2 MET A 1 -21.317 4.867 -8.530 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.961 4.227 -6.997 1.00 1.19 H new ATOM 0 HA MET A 1 -19.624 6.371 -8.488 1.00 1.06 H new ATOM 0 HB2 MET A 1 -18.358 6.901 -6.390 1.00 1.01 H new ATOM 0 HB3 MET A 1 -20.026 7.438 -6.393 1.00 1.01 H new ATOM 0 HG2 MET A 1 -20.689 5.574 -4.967 1.00 1.07 H new ATOM 0 HG3 MET A 1 -19.086 4.874 -5.068 1.00 1.07 H new ATOM 0 HE1 MET A 1 -20.109 8.822 -2.878 1.00 1.32 H new ATOM 0 HE2 MET A 1 -19.655 8.885 -4.598 1.00 1.32 H new ATOM 0 HE3 MET A 1 -21.114 7.999 -4.095 1.00 1.32 H new ATOM 20 N GLN A 2 -17.619 4.905 -8.624 1.00 0.93 N ATOM 21 CA GLN A 2 -16.543 3.966 -8.863 1.00 0.89 C ATOM 22 C GLN A 2 -15.227 4.519 -8.335 1.00 0.85 C ATOM 23 O GLN A 2 -14.871 5.671 -8.596 1.00 0.93 O ATOM 24 CB GLN A 2 -16.441 3.660 -10.358 1.00 0.94 C ATOM 25 CG GLN A 2 -15.404 2.609 -10.701 1.00 1.18 C ATOM 26 CD GLN A 2 -15.798 1.779 -11.902 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.416 0.637 -11.654 1.00 1.35 O flip ATOM 28 NE2 GLN A 2 -15.540 2.155 -13.042 1.00 1.61 N flip ATOM 0 H GLN A 2 -17.552 5.769 -9.161 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.758 3.039 -8.331 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -17.414 3.327 -10.718 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -16.202 4.580 -10.892 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -14.449 3.096 -10.897 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.257 1.954 -9.842 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -15.061 3.044 -13.190 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -15.804 1.579 -13.841 1.00 1.61 H new ATOM 37 N ILE A 3 -14.513 3.700 -7.581 1.00 0.76 N ATOM 38 CA ILE A 3 -13.243 4.111 -7.015 1.00 0.72 C ATOM 39 C ILE A 3 -12.113 3.254 -7.566 1.00 0.68 C ATOM 40 O ILE A 3 -12.348 2.158 -8.081 1.00 0.66 O ATOM 41 CB ILE A 3 -13.234 4.044 -5.466 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.339 2.593 -4.962 1.00 0.60 C ATOM 43 CG2 ILE A 3 -14.349 4.908 -4.887 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.750 2.038 -4.908 1.00 0.78 C ATOM 0 H ILE A 3 -14.793 2.747 -7.348 1.00 0.76 H new ATOM 0 HA ILE A 3 -13.094 5.152 -7.303 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.279 4.439 -5.120 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.737 1.954 -5.609 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.904 2.538 -3.964 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -14.327 4.849 -3.799 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -14.205 5.943 -5.197 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.312 4.551 -5.251 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.724 1.012 -4.541 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.355 2.648 -4.237 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.186 2.055 -5.907 1.00 0.78 H new ATOM 56 N PHE A 4 -10.893 3.761 -7.467 1.00 0.68 N ATOM 57 CA PHE A 4 -9.727 3.044 -7.952 1.00 0.66 C ATOM 58 C PHE A 4 -8.857 2.615 -6.781 1.00 0.61 C ATOM 59 O PHE A 4 -8.206 3.443 -6.143 1.00 0.70 O ATOM 60 CB PHE A 4 -8.916 3.918 -8.914 1.00 0.73 C ATOM 61 CG PHE A 4 -9.694 4.401 -10.113 1.00 0.82 C ATOM 62 CD1 PHE A 4 -10.576 3.559 -10.782 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.541 5.699 -10.575 1.00 0.88 C ATOM 64 CE1 PHE A 4 -11.286 4.007 -11.883 1.00 1.12 C ATOM 65 CE2 PHE A 4 -10.248 6.148 -11.675 1.00 0.96 C ATOM 66 CZ PHE A 4 -11.122 5.302 -12.330 1.00 1.00 C ATOM 0 H PHE A 4 -10.686 4.670 -7.053 1.00 0.68 H new ATOM 0 HA PHE A 4 -10.065 2.159 -8.491 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.535 4.782 -8.369 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -8.051 3.352 -9.260 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -10.709 2.544 -10.439 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -8.861 6.368 -10.069 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -11.968 3.343 -12.392 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -10.117 7.162 -12.023 1.00 0.96 H new ATOM 0 HZ PHE A 4 -11.675 5.653 -13.189 1.00 1.00 H new ATOM 76 N VAL A 5 -8.859 1.327 -6.485 1.00 0.53 N ATOM 77 CA VAL A 5 -8.067 0.814 -5.384 1.00 0.51 C ATOM 78 C VAL A 5 -6.794 0.145 -5.901 1.00 0.51 C ATOM 79 O VAL A 5 -6.839 -0.842 -6.640 1.00 0.53 O ATOM 80 CB VAL A 5 -8.883 -0.160 -4.493 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.454 -1.319 -5.299 1.00 0.56 C ATOM 82 CG2 VAL A 5 -8.035 -0.671 -3.344 1.00 0.54 C ATOM 0 H VAL A 5 -9.397 0.622 -6.989 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.782 1.662 -4.761 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.725 0.398 -4.083 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -10.018 -1.978 -4.639 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.113 -0.932 -6.076 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.639 -1.878 -5.760 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.625 -1.352 -2.731 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.167 -1.198 -3.739 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.703 0.170 -2.735 1.00 0.54 H new ATOM 92 N LYS A 6 -5.656 0.715 -5.534 1.00 0.54 N ATOM 93 CA LYS A 6 -4.368 0.190 -5.953 1.00 0.58 C ATOM 94 C LYS A 6 -3.874 -0.842 -4.951 1.00 0.56 C ATOM 95 O LYS A 6 -3.775 -0.562 -3.753 1.00 0.51 O ATOM 96 CB LYS A 6 -3.361 1.334 -6.116 1.00 0.63 C ATOM 97 CG LYS A 6 -3.795 2.355 -7.160 1.00 1.21 C ATOM 98 CD LYS A 6 -2.829 3.529 -7.274 1.00 1.17 C ATOM 99 CE LYS A 6 -3.312 4.525 -8.319 1.00 1.38 C ATOM 100 NZ LYS A 6 -2.419 5.710 -8.437 1.00 1.38 N ATOM 0 H LYS A 6 -5.600 1.545 -4.944 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.477 -0.303 -6.919 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.228 1.835 -5.157 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.392 0.922 -6.397 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -3.879 1.864 -8.129 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.787 2.729 -6.906 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.736 4.025 -6.308 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -1.837 3.165 -7.542 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -3.379 4.027 -9.286 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -4.318 4.857 -8.061 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -2.904 6.549 -8.059 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -1.546 5.542 -7.897 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -2.183 5.868 -9.437 1.00 1.38 H new ATOM 114 N THR A 7 -3.587 -2.039 -5.444 1.00 0.61 N ATOM 115 CA THR A 7 -3.127 -3.132 -4.601 1.00 0.62 C ATOM 116 C THR A 7 -1.643 -3.016 -4.267 1.00 0.63 C ATOM 117 O THR A 7 -0.969 -2.063 -4.669 1.00 0.74 O ATOM 118 CB THR A 7 -3.375 -4.488 -5.279 1.00 0.69 C ATOM 119 OG1 THR A 7 -2.888 -4.453 -6.628 1.00 1.05 O ATOM 120 CG2 THR A 7 -4.854 -4.829 -5.279 1.00 0.90 C ATOM 0 H THR A 7 -3.666 -2.278 -6.432 1.00 0.61 H new ATOM 0 HA THR A 7 -3.699 -3.068 -3.675 1.00 0.62 H new ATOM 0 HB THR A 7 -2.842 -5.256 -4.718 1.00 0.69 H new ATOM 0 HG1 THR A 7 -3.572 -4.065 -7.213 1.00 1.05 H new ATOM 0 HG21 THR A 7 -5.005 -5.793 -5.764 1.00 0.90 H new ATOM 0 HG22 THR A 7 -5.216 -4.879 -4.252 1.00 0.90 H new ATOM 0 HG23 THR A 7 -5.405 -4.060 -5.821 1.00 0.90 H new ATOM 128 N LEU A 8 -1.144 -4.016 -3.545 1.00 0.62 N ATOM 129 CA LEU A 8 0.251 -4.074 -3.125 1.00 0.65 C ATOM 130 C LEU A 8 1.189 -4.187 -4.324 1.00 0.67 C ATOM 131 O LEU A 8 2.279 -3.620 -4.330 1.00 0.73 O ATOM 132 CB LEU A 8 0.455 -5.277 -2.199 1.00 0.72 C ATOM 133 CG LEU A 8 1.842 -5.390 -1.574 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.945 -4.487 -0.361 1.00 1.54 C ATOM 135 CD2 LEU A 8 2.137 -6.834 -1.197 1.00 0.94 C ATOM 0 H LEU A 8 -1.700 -4.812 -3.234 1.00 0.62 H new ATOM 0 HA LEU A 8 0.487 -3.150 -2.596 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.283 -5.228 -1.399 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.253 -6.187 -2.763 1.00 0.72 H new ATOM 0 HG LEU A 8 2.584 -5.070 -2.306 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.940 -4.577 0.076 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.772 -3.453 -0.661 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.197 -4.781 0.376 1.00 1.54 H new ATOM 0 HD21 LEU A 8 3.130 -6.898 -0.752 1.00 0.94 H new ATOM 0 HD22 LEU A 8 1.395 -7.181 -0.479 1.00 0.94 H new ATOM 0 HD23 LEU A 8 2.098 -7.458 -2.090 1.00 0.94 H new ATOM 147 N THR A 9 0.751 -4.907 -5.346 1.00 0.67 N ATOM 148 CA THR A 9 1.562 -5.105 -6.539 1.00 0.74 C ATOM 149 C THR A 9 1.363 -3.973 -7.555 1.00 0.75 C ATOM 150 O THR A 9 1.748 -4.096 -8.723 1.00 0.90 O ATOM 151 CB THR A 9 1.263 -6.476 -7.193 1.00 0.80 C ATOM 152 OG1 THR A 9 2.226 -6.754 -8.218 1.00 1.26 O ATOM 153 CG2 THR A 9 -0.139 -6.519 -7.786 1.00 0.91 C ATOM 0 H THR A 9 -0.161 -5.364 -5.374 1.00 0.67 H new ATOM 0 HA THR A 9 2.605 -5.091 -6.224 1.00 0.74 H new ATOM 0 HB THR A 9 1.327 -7.235 -6.413 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.319 -5.971 -8.800 1.00 1.26 H new ATOM 0 HG21 THR A 9 -0.314 -7.496 -8.236 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.873 -6.346 -6.999 1.00 0.91 H new ATOM 0 HG23 THR A 9 -0.236 -5.746 -8.548 1.00 0.91 H new ATOM 161 N GLY A 10 0.762 -2.875 -7.107 1.00 0.71 N ATOM 162 CA GLY A 10 0.539 -1.734 -7.979 1.00 0.75 C ATOM 163 C GLY A 10 -0.529 -1.988 -9.027 1.00 0.76 C ATOM 164 O GLY A 10 -0.580 -1.306 -10.049 1.00 0.89 O ATOM 0 H GLY A 10 0.424 -2.754 -6.152 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.250 -0.873 -7.375 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.474 -1.476 -8.476 1.00 0.75 H new ATOM 168 N LYS A 11 -1.377 -2.971 -8.776 1.00 0.82 N ATOM 169 CA LYS A 11 -2.448 -3.307 -9.701 1.00 0.85 C ATOM 170 C LYS A 11 -3.729 -2.591 -9.289 1.00 0.77 C ATOM 171 O LYS A 11 -4.354 -2.943 -8.287 1.00 0.78 O ATOM 172 CB LYS A 11 -2.657 -4.824 -9.732 1.00 0.90 C ATOM 173 CG LYS A 11 -3.902 -5.274 -10.479 1.00 0.96 C ATOM 174 CD LYS A 11 -4.221 -6.732 -10.186 1.00 1.09 C ATOM 175 CE LYS A 11 -5.608 -7.116 -10.671 1.00 1.43 C ATOM 176 NZ LYS A 11 -5.680 -7.192 -12.155 1.00 1.63 N ATOM 0 H LYS A 11 -1.345 -3.552 -7.938 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.176 -2.979 -10.704 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.785 -5.289 -10.192 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.711 -5.192 -8.707 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -4.748 -4.649 -10.192 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.755 -5.139 -11.551 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.479 -7.370 -10.666 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.149 -6.911 -9.113 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -5.887 -8.080 -10.245 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -6.333 -6.386 -10.310 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -6.644 -7.457 -12.443 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -5.439 -6.266 -12.562 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -5.007 -7.907 -12.499 1.00 1.63 H new ATOM 190 N THR A 12 -4.090 -1.566 -10.038 1.00 0.85 N ATOM 191 CA THR A 12 -5.289 -0.804 -9.752 1.00 0.80 C ATOM 192 C THR A 12 -6.539 -1.598 -10.112 1.00 0.81 C ATOM 193 O THR A 12 -6.748 -1.950 -11.274 1.00 0.91 O ATOM 194 CB THR A 12 -5.292 0.527 -10.522 1.00 0.85 C ATOM 195 OG1 THR A 12 -4.009 1.156 -10.416 1.00 0.90 O ATOM 196 CG2 THR A 12 -6.363 1.461 -9.983 1.00 0.84 C ATOM 0 H THR A 12 -3.567 -1.242 -10.852 1.00 0.85 H new ATOM 0 HA THR A 12 -5.295 -0.596 -8.682 1.00 0.80 H new ATOM 0 HB THR A 12 -5.509 0.315 -11.569 1.00 0.85 H new ATOM 0 HG1 THR A 12 -4.018 2.002 -10.910 1.00 0.90 H new ATOM 0 HG21 THR A 12 -6.346 2.396 -10.543 1.00 0.84 H new ATOM 0 HG22 THR A 12 -7.341 0.992 -10.089 1.00 0.84 H new ATOM 0 HG23 THR A 12 -6.171 1.666 -8.930 1.00 0.84 H new ATOM 204 N ILE A 13 -7.357 -1.885 -9.114 1.00 0.72 N ATOM 205 CA ILE A 13 -8.589 -2.628 -9.318 1.00 0.74 C ATOM 206 C ILE A 13 -9.781 -1.677 -9.324 1.00 0.71 C ATOM 207 O ILE A 13 -9.912 -0.820 -8.446 1.00 0.64 O ATOM 208 CB ILE A 13 -8.783 -3.713 -8.235 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.656 -4.745 -8.321 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.143 -4.389 -8.381 1.00 0.80 C ATOM 211 CD1 ILE A 13 -7.697 -5.789 -7.227 1.00 0.85 C ATOM 0 H ILE A 13 -7.188 -1.612 -8.146 1.00 0.72 H new ATOM 0 HA ILE A 13 -8.520 -3.128 -10.284 1.00 0.74 H new ATOM 0 HB ILE A 13 -8.749 -3.236 -7.255 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.707 -5.244 -9.289 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.698 -4.227 -8.280 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.257 -5.149 -7.608 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.932 -3.645 -8.277 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -10.213 -4.857 -9.363 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.867 -6.484 -7.356 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.615 -5.302 -6.256 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.639 -6.335 -7.280 1.00 0.85 H new ATOM 223 N THR A 14 -10.627 -1.821 -10.328 1.00 0.80 N ATOM 224 CA THR A 14 -11.802 -0.984 -10.466 1.00 0.81 C ATOM 225 C THR A 14 -13.015 -1.634 -9.803 1.00 0.78 C ATOM 226 O THR A 14 -13.403 -2.753 -10.148 1.00 0.83 O ATOM 227 CB THR A 14 -12.091 -0.724 -11.954 1.00 0.94 C ATOM 228 OG1 THR A 14 -10.875 -0.832 -12.709 1.00 1.01 O ATOM 229 CG2 THR A 14 -12.679 0.657 -12.151 1.00 1.07 C ATOM 0 H THR A 14 -10.519 -2.517 -11.066 1.00 0.80 H new ATOM 0 HA THR A 14 -11.607 -0.035 -9.967 1.00 0.81 H new ATOM 0 HB THR A 14 -12.810 -1.467 -12.300 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.063 -0.668 -13.657 1.00 1.01 H new ATOM 0 HG21 THR A 14 -12.876 0.821 -13.210 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.611 0.739 -11.592 1.00 1.07 H new ATOM 0 HG23 THR A 14 -11.974 1.407 -11.793 1.00 1.07 H new ATOM 237 N LEU A 15 -13.600 -0.932 -8.840 1.00 0.74 N ATOM 238 CA LEU A 15 -14.760 -1.437 -8.117 1.00 0.75 C ATOM 239 C LEU A 15 -15.873 -0.388 -8.116 1.00 0.79 C ATOM 240 O LEU A 15 -15.606 0.809 -7.980 1.00 0.81 O ATOM 241 CB LEU A 15 -14.349 -1.794 -6.679 1.00 0.74 C ATOM 242 CG LEU A 15 -15.055 -3.004 -6.046 1.00 0.74 C ATOM 243 CD1 LEU A 15 -16.456 -2.637 -5.596 1.00 0.97 C ATOM 244 CD2 LEU A 15 -15.096 -4.179 -7.014 1.00 0.93 C ATOM 0 H LEU A 15 -13.288 -0.008 -8.541 1.00 0.74 H new ATOM 0 HA LEU A 15 -15.136 -2.334 -8.610 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.275 -1.980 -6.667 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -14.529 -0.925 -6.047 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.481 -3.305 -5.169 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -16.936 -3.509 -5.151 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.403 -1.836 -4.858 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -17.038 -2.301 -6.455 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -15.601 -5.022 -6.542 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -15.638 -3.890 -7.914 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -14.079 -4.467 -7.280 1.00 0.93 H new ATOM 256 N GLU A 16 -17.113 -0.834 -8.292 1.00 0.84 N ATOM 257 CA GLU A 16 -18.254 0.074 -8.313 1.00 0.90 C ATOM 258 C GLU A 16 -19.191 -0.204 -7.139 1.00 0.83 C ATOM 259 O GLU A 16 -19.501 -1.355 -6.840 1.00 0.87 O ATOM 260 CB GLU A 16 -19.017 -0.036 -9.644 1.00 1.04 C ATOM 261 CG GLU A 16 -19.779 -1.340 -9.845 1.00 1.10 C ATOM 262 CD GLU A 16 -18.874 -2.532 -10.083 1.00 1.18 C ATOM 263 OE1 GLU A 16 -18.382 -2.693 -11.212 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.664 -3.329 -9.137 1.00 1.26 O ATOM 0 H GLU A 16 -17.353 -1.817 -8.422 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.874 1.091 -8.217 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -19.722 0.793 -9.711 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.307 0.082 -10.463 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -20.397 -1.531 -8.967 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -20.455 -1.231 -10.693 1.00 1.10 H new ATOM 271 N VAL A 17 -19.609 0.854 -6.462 1.00 0.79 N ATOM 272 CA VAL A 17 -20.517 0.744 -5.323 1.00 0.77 C ATOM 273 C VAL A 17 -21.344 2.016 -5.198 1.00 0.78 C ATOM 274 O VAL A 17 -21.021 3.037 -5.808 1.00 0.77 O ATOM 275 CB VAL A 17 -19.769 0.497 -3.992 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.493 -0.988 -3.795 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.474 1.297 -3.937 1.00 0.71 C ATOM 0 H VAL A 17 -19.332 1.811 -6.682 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.160 -0.116 -5.510 1.00 0.77 H new ATOM 0 HB VAL A 17 -20.410 0.836 -3.178 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.966 -1.138 -2.853 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.436 -1.534 -3.774 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -18.879 -1.356 -4.617 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.968 1.105 -2.991 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.827 0.999 -4.762 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.699 2.360 -4.019 1.00 0.71 H new ATOM 287 N GLU A 18 -22.412 1.961 -4.426 1.00 0.86 N ATOM 288 CA GLU A 18 -23.263 3.123 -4.236 1.00 0.91 C ATOM 289 C GLU A 18 -22.949 3.786 -2.894 1.00 0.89 C ATOM 290 O GLU A 18 -22.386 3.149 -2.011 1.00 0.85 O ATOM 291 CB GLU A 18 -24.736 2.710 -4.313 1.00 1.00 C ATOM 292 CG GLU A 18 -25.171 2.284 -5.708 1.00 1.11 C ATOM 293 CD GLU A 18 -24.691 3.235 -6.789 1.00 1.10 C ATOM 294 OE1 GLU A 18 -24.907 4.454 -6.655 1.00 1.29 O ATOM 295 OE2 GLU A 18 -24.092 2.766 -7.783 1.00 1.46 O ATOM 0 H GLU A 18 -22.712 1.127 -3.921 1.00 0.86 H new ATOM 0 HA GLU A 18 -23.069 3.846 -5.028 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.912 1.889 -3.619 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.357 3.543 -3.985 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.788 1.284 -5.914 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.259 2.222 -5.742 1.00 1.11 H new ATOM 302 N PRO A 19 -23.295 5.073 -2.719 1.00 0.95 N ATOM 303 CA PRO A 19 -23.031 5.802 -1.468 1.00 0.99 C ATOM 304 C PRO A 19 -23.705 5.159 -0.254 1.00 1.05 C ATOM 305 O PRO A 19 -23.292 5.376 0.886 1.00 1.09 O ATOM 306 CB PRO A 19 -23.608 7.198 -1.727 1.00 1.08 C ATOM 307 CG PRO A 19 -24.534 7.032 -2.883 1.00 1.07 C ATOM 308 CD PRO A 19 -23.947 5.933 -3.720 1.00 1.04 C ATOM 0 HA PRO A 19 -21.968 5.807 -1.227 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -24.136 7.574 -0.851 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -22.818 7.914 -1.955 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -25.538 6.774 -2.546 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -24.617 7.957 -3.454 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -24.714 5.395 -4.277 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -23.234 6.317 -4.449 1.00 1.04 H new ATOM 316 N SER A 20 -24.745 4.374 -0.509 1.00 1.11 N ATOM 317 CA SER A 20 -25.474 3.694 0.553 1.00 1.22 C ATOM 318 C SER A 20 -24.779 2.389 0.932 1.00 1.11 C ATOM 319 O SER A 20 -25.062 1.800 1.977 1.00 1.16 O ATOM 320 CB SER A 20 -26.908 3.408 0.102 1.00 1.42 C ATOM 321 OG SER A 20 -27.394 4.446 -0.739 1.00 1.61 O ATOM 0 H SER A 20 -25.103 4.193 -1.447 1.00 1.11 H new ATOM 0 HA SER A 20 -25.495 4.343 1.428 1.00 1.22 H new ATOM 0 HB2 SER A 20 -26.943 2.457 -0.430 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.554 3.309 0.974 1.00 1.42 H new ATOM 0 HG SER A 20 -28.311 4.240 -1.016 1.00 1.61 H new ATOM 327 N ASP A 21 -23.859 1.952 0.080 1.00 0.99 N ATOM 328 CA ASP A 21 -23.129 0.715 0.311 1.00 0.91 C ATOM 329 C ASP A 21 -22.128 0.881 1.439 1.00 0.86 C ATOM 330 O ASP A 21 -21.252 1.747 1.391 1.00 0.89 O ATOM 331 CB ASP A 21 -22.394 0.267 -0.954 1.00 0.87 C ATOM 332 CG ASP A 21 -23.248 -0.607 -1.845 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.764 -1.631 -1.353 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.394 -0.282 -3.044 1.00 1.32 O ATOM 0 H ASP A 21 -23.602 2.439 -0.779 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.858 -0.047 0.587 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.073 1.146 -1.513 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.493 -0.278 -0.672 1.00 0.87 H new ATOM 339 N THR A 22 -22.271 0.061 2.463 1.00 0.83 N ATOM 340 CA THR A 22 -21.370 0.100 3.592 1.00 0.82 C ATOM 341 C THR A 22 -20.058 -0.579 3.203 1.00 0.76 C ATOM 342 O THR A 22 -20.056 -1.470 2.346 1.00 0.75 O ATOM 343 CB THR A 22 -21.998 -0.605 4.807 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.430 -0.550 4.707 1.00 1.00 O ATOM 345 CG2 THR A 22 -21.558 0.044 6.110 1.00 1.13 C ATOM 0 H THR A 22 -23.007 -0.642 2.533 1.00 0.83 H new ATOM 0 HA THR A 22 -21.177 1.137 3.867 1.00 0.82 H new ATOM 0 HB THR A 22 -21.662 -1.642 4.810 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.829 -1.001 5.480 1.00 1.00 H new ATOM 0 HG21 THR A 22 -22.019 -0.477 6.950 1.00 1.13 H new ATOM 0 HG22 THR A 22 -20.473 -0.015 6.198 1.00 1.13 H new ATOM 0 HG23 THR A 22 -21.867 1.089 6.118 1.00 1.13 H new ATOM 353 N ILE A 23 -18.954 -0.165 3.822 1.00 0.74 N ATOM 354 CA ILE A 23 -17.632 -0.722 3.523 1.00 0.69 C ATOM 355 C ILE A 23 -17.643 -2.253 3.581 1.00 0.67 C ATOM 356 O ILE A 23 -16.958 -2.914 2.803 1.00 0.63 O ATOM 357 CB ILE A 23 -16.554 -0.162 4.486 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.387 1.351 4.290 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.216 -0.870 4.288 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.027 1.758 2.876 1.00 0.69 C ATOM 0 H ILE A 23 -18.948 0.560 4.540 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.380 -0.418 2.507 1.00 0.69 H new ATOM 0 HB ILE A 23 -16.890 -0.349 5.506 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.315 1.847 4.574 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -15.613 1.711 4.968 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.480 -0.456 4.977 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.336 -1.936 4.483 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.876 -0.724 3.263 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -15.928 2.842 2.824 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.083 1.293 2.593 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -16.811 1.432 2.193 1.00 0.69 H new ATOM 372 N GLU A 24 -18.444 -2.808 4.486 1.00 0.71 N ATOM 373 CA GLU A 24 -18.563 -4.258 4.628 1.00 0.72 C ATOM 374 C GLU A 24 -18.993 -4.912 3.312 1.00 0.71 C ATOM 375 O GLU A 24 -18.446 -5.942 2.918 1.00 0.71 O ATOM 376 CB GLU A 24 -19.572 -4.597 5.725 1.00 0.80 C ATOM 377 CG GLU A 24 -20.827 -3.745 5.662 1.00 0.95 C ATOM 378 CD GLU A 24 -22.031 -4.417 6.279 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.117 -5.658 6.223 1.00 1.14 O ATOM 380 OE2 GLU A 24 -22.908 -3.705 6.807 1.00 1.64 O ATOM 0 H GLU A 24 -19.023 -2.274 5.135 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.583 -4.649 4.900 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.849 -5.648 5.644 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -19.099 -4.466 6.698 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.644 -2.800 6.174 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -21.045 -3.506 4.621 1.00 0.95 H new ATOM 387 N ASN A 25 -19.953 -4.293 2.622 1.00 0.72 N ATOM 388 CA ASN A 25 -20.447 -4.825 1.355 1.00 0.73 C ATOM 389 C ASN A 25 -19.395 -4.655 0.269 1.00 0.69 C ATOM 390 O ASN A 25 -19.280 -5.478 -0.638 1.00 0.70 O ATOM 391 CB ASN A 25 -21.750 -4.135 0.933 1.00 0.79 C ATOM 392 CG ASN A 25 -22.478 -4.899 -0.161 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.406 -6.127 -0.231 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.188 -4.184 -1.023 1.00 0.97 N ATOM 0 H ASN A 25 -20.401 -3.426 2.920 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.653 -5.886 1.494 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.403 -4.035 1.800 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.528 -3.127 0.583 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.697 -4.650 -1.774 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.225 -3.169 -0.935 1.00 0.97 H new ATOM 401 N VAL A 26 -18.622 -3.579 0.375 1.00 0.65 N ATOM 402 CA VAL A 26 -17.561 -3.304 -0.584 1.00 0.62 C ATOM 403 C VAL A 26 -16.518 -4.412 -0.510 1.00 0.58 C ATOM 404 O VAL A 26 -16.070 -4.931 -1.534 1.00 0.57 O ATOM 405 CB VAL A 26 -16.884 -1.943 -0.309 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.879 -1.609 -1.401 1.00 0.59 C ATOM 407 CG2 VAL A 26 -17.923 -0.838 -0.174 1.00 0.63 C ATOM 0 H VAL A 26 -18.711 -2.884 1.116 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.004 -3.265 -1.579 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.346 -2.018 0.636 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.415 -0.646 -1.186 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.111 -2.382 -1.438 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.390 -1.559 -2.363 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.422 0.111 0.019 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.497 -0.764 -1.098 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.594 -1.069 0.653 1.00 0.63 H new ATOM 417 N LYS A 27 -16.159 -4.782 0.719 1.00 0.57 N ATOM 418 CA LYS A 27 -15.189 -5.845 0.954 1.00 0.54 C ATOM 419 C LYS A 27 -15.705 -7.164 0.383 1.00 0.55 C ATOM 420 O LYS A 27 -14.959 -7.930 -0.232 1.00 0.52 O ATOM 421 CB LYS A 27 -14.923 -6.006 2.456 1.00 0.59 C ATOM 422 CG LYS A 27 -14.459 -4.730 3.146 1.00 0.67 C ATOM 423 CD LYS A 27 -14.458 -4.884 4.664 1.00 0.82 C ATOM 424 CE LYS A 27 -13.238 -5.647 5.150 1.00 1.03 C ATOM 425 NZ LYS A 27 -13.378 -6.094 6.563 1.00 1.08 N ATOM 0 H LYS A 27 -16.529 -4.357 1.569 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.258 -5.576 0.455 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.834 -6.357 2.940 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.168 -6.779 2.599 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.456 -4.475 2.804 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -15.112 -3.904 2.863 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -14.481 -3.899 5.130 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -15.362 -5.406 4.978 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -13.077 -6.515 4.511 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -12.355 -5.014 5.057 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.843 -6.975 6.703 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -13.007 -5.359 7.198 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -14.382 -6.262 6.776 1.00 1.08 H new ATOM 439 N ALA A 28 -16.996 -7.407 0.580 1.00 0.63 N ATOM 440 CA ALA A 28 -17.640 -8.621 0.098 1.00 0.68 C ATOM 441 C ALA A 28 -17.653 -8.670 -1.426 1.00 0.68 C ATOM 442 O ALA A 28 -17.513 -9.738 -2.023 1.00 0.75 O ATOM 443 CB ALA A 28 -19.056 -8.708 0.640 1.00 0.75 C ATOM 0 H ALA A 28 -17.622 -6.772 1.075 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.067 -9.476 0.456 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.530 -9.619 0.275 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.028 -8.725 1.730 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.627 -7.842 0.306 1.00 0.75 H new ATOM 449 N LYS A 29 -17.815 -7.512 -2.054 1.00 0.65 N ATOM 450 CA LYS A 29 -17.839 -7.437 -3.505 1.00 0.70 C ATOM 451 C LYS A 29 -16.476 -7.806 -4.076 1.00 0.67 C ATOM 452 O LYS A 29 -16.381 -8.514 -5.078 1.00 0.76 O ATOM 453 CB LYS A 29 -18.249 -6.042 -3.971 1.00 0.72 C ATOM 454 CG LYS A 29 -18.937 -6.048 -5.325 1.00 1.05 C ATOM 455 CD LYS A 29 -19.544 -4.696 -5.657 1.00 1.00 C ATOM 456 CE LYS A 29 -20.657 -4.832 -6.685 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.791 -3.612 -7.519 1.00 1.23 N ATOM 0 H LYS A 29 -17.931 -6.616 -1.581 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.578 -8.150 -3.871 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -18.917 -5.600 -3.232 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.364 -5.407 -4.022 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -18.218 -6.323 -6.097 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -19.718 -6.808 -5.332 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.937 -4.238 -4.749 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.770 -4.031 -6.040 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -20.456 -5.690 -7.326 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.600 -5.029 -6.175 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.784 -3.494 -7.805 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.488 -2.782 -6.971 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -20.195 -3.704 -8.367 1.00 1.23 H new ATOM 471 N ILE A 30 -15.422 -7.332 -3.426 1.00 0.57 N ATOM 472 CA ILE A 30 -14.065 -7.635 -3.856 1.00 0.55 C ATOM 473 C ILE A 30 -13.792 -9.124 -3.651 1.00 0.61 C ATOM 474 O ILE A 30 -13.034 -9.744 -4.394 1.00 0.65 O ATOM 475 CB ILE A 30 -13.024 -6.782 -3.091 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.266 -5.293 -3.370 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.603 -7.177 -3.489 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.339 -4.363 -2.615 1.00 0.45 C ATOM 0 H ILE A 30 -15.481 -6.737 -2.600 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.972 -7.388 -4.914 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.138 -6.966 -2.023 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.153 -5.112 -4.439 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.297 -5.049 -3.112 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.888 -6.565 -2.939 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.438 -8.228 -3.253 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.468 -7.020 -4.559 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.576 -3.329 -2.868 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.467 -4.513 -1.543 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.306 -4.577 -2.890 1.00 0.45 H new ATOM 490 N GLN A 31 -14.443 -9.697 -2.648 1.00 0.64 N ATOM 491 CA GLN A 31 -14.301 -11.114 -2.347 1.00 0.74 C ATOM 492 C GLN A 31 -14.976 -11.959 -3.426 1.00 0.81 C ATOM 493 O GLN A 31 -14.492 -13.029 -3.791 1.00 0.87 O ATOM 494 CB GLN A 31 -14.914 -11.425 -0.979 1.00 0.80 C ATOM 495 CG GLN A 31 -14.941 -12.908 -0.641 1.00 1.04 C ATOM 496 CD GLN A 31 -16.021 -13.253 0.367 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.348 -12.455 1.244 1.00 0.95 O ATOM 498 NE2 GLN A 31 -16.597 -14.437 0.236 1.00 1.53 N ATOM 0 H GLN A 31 -15.079 -9.198 -2.026 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.239 -11.359 -2.325 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.350 -10.897 -0.210 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.932 -11.037 -0.951 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -15.102 -13.483 -1.553 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -13.970 -13.205 -0.245 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -16.297 -15.071 -0.505 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -17.341 -14.716 0.876 1.00 1.53 H new ATOM 507 N ASP A 32 -16.087 -11.461 -3.946 1.00 0.85 N ATOM 508 CA ASP A 32 -16.835 -12.174 -4.975 1.00 0.94 C ATOM 509 C ASP A 32 -16.199 -11.999 -6.354 1.00 0.97 C ATOM 510 O ASP A 32 -16.152 -12.942 -7.144 1.00 1.05 O ATOM 511 CB ASP A 32 -18.287 -11.686 -5.015 1.00 1.01 C ATOM 512 CG ASP A 32 -19.144 -12.509 -5.956 1.00 1.17 C ATOM 513 OD1 ASP A 32 -19.655 -13.568 -5.529 1.00 1.33 O ATOM 514 OD2 ASP A 32 -19.317 -12.099 -7.123 1.00 1.32 O ATOM 0 H ASP A 32 -16.492 -10.566 -3.674 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.814 -13.233 -4.719 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.710 -11.728 -4.011 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -18.309 -10.642 -5.327 1.00 1.01 H new ATOM 519 N LYS A 33 -15.699 -10.800 -6.637 1.00 0.95 N ATOM 520 CA LYS A 33 -15.088 -10.514 -7.935 1.00 1.02 C ATOM 521 C LYS A 33 -13.628 -10.971 -8.006 1.00 0.98 C ATOM 522 O LYS A 33 -13.257 -11.728 -8.902 1.00 1.14 O ATOM 523 CB LYS A 33 -15.197 -9.019 -8.256 1.00 1.02 C ATOM 524 CG LYS A 33 -16.625 -8.562 -8.515 1.00 1.05 C ATOM 525 CD LYS A 33 -16.661 -7.186 -9.158 1.00 1.15 C ATOM 526 CE LYS A 33 -18.059 -6.838 -9.639 1.00 1.33 C ATOM 527 NZ LYS A 33 -18.070 -5.657 -10.543 1.00 1.55 N ATOM 0 H LYS A 33 -15.704 -10.012 -5.989 1.00 0.95 H new ATOM 0 HA LYS A 33 -15.638 -11.084 -8.683 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -14.784 -8.445 -7.426 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -14.587 -8.797 -9.132 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -17.126 -9.281 -9.163 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -17.177 -8.540 -7.576 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -16.324 -6.438 -8.440 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -15.967 -7.157 -9.998 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -18.485 -7.695 -10.160 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -18.697 -6.639 -8.778 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -18.922 -5.684 -11.139 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -18.072 -4.785 -9.976 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -17.224 -5.675 -11.147 1.00 1.55 H new ATOM 541 N GLU A 34 -12.809 -10.524 -7.066 1.00 0.84 N ATOM 542 CA GLU A 34 -11.394 -10.891 -7.061 1.00 0.82 C ATOM 543 C GLU A 34 -11.156 -12.185 -6.292 1.00 0.82 C ATOM 544 O GLU A 34 -10.421 -13.059 -6.745 1.00 1.08 O ATOM 545 CB GLU A 34 -10.553 -9.768 -6.454 1.00 0.75 C ATOM 546 CG GLU A 34 -10.458 -8.534 -7.334 1.00 1.08 C ATOM 547 CD GLU A 34 -9.826 -8.832 -8.676 1.00 1.63 C ATOM 548 OE1 GLU A 34 -8.594 -9.017 -8.734 1.00 1.88 O ATOM 549 OE2 GLU A 34 -10.559 -8.886 -9.684 1.00 2.06 O ATOM 0 H GLU A 34 -13.093 -9.912 -6.301 1.00 0.84 H new ATOM 0 HA GLU A 34 -11.092 -11.048 -8.097 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.980 -9.485 -5.492 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.548 -10.143 -6.259 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -11.456 -8.123 -7.488 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -9.874 -7.769 -6.822 1.00 1.08 H new ATOM 556 N GLY A 35 -11.772 -12.299 -5.125 1.00 0.96 N ATOM 557 CA GLY A 35 -11.599 -13.491 -4.317 1.00 0.98 C ATOM 558 C GLY A 35 -10.718 -13.235 -3.114 1.00 0.87 C ATOM 559 O GLY A 35 -9.904 -14.078 -2.738 1.00 1.01 O ATOM 0 H GLY A 35 -12.387 -11.591 -4.723 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -12.573 -13.848 -3.984 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -11.161 -14.282 -4.926 1.00 0.98 H new ATOM 563 N ILE A 36 -10.862 -12.060 -2.525 1.00 0.83 N ATOM 564 CA ILE A 36 -10.077 -11.696 -1.357 1.00 0.72 C ATOM 565 C ILE A 36 -10.978 -11.588 -0.130 1.00 0.68 C ATOM 566 O ILE A 36 -11.856 -10.725 -0.079 1.00 0.71 O ATOM 567 CB ILE A 36 -9.336 -10.356 -1.572 1.00 0.70 C ATOM 568 CG1 ILE A 36 -8.588 -10.375 -2.911 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.372 -10.088 -0.421 1.00 0.66 C ATOM 570 CD1 ILE A 36 -7.961 -9.049 -3.284 1.00 0.88 C ATOM 0 H ILE A 36 -11.515 -11.341 -2.836 1.00 0.83 H new ATOM 0 HA ILE A 36 -9.335 -12.479 -1.199 1.00 0.72 H new ATOM 0 HB ILE A 36 -10.070 -9.550 -1.596 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -7.808 -11.135 -2.869 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -9.281 -10.672 -3.698 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.859 -9.141 -0.589 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -8.928 -10.039 0.515 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.639 -10.893 -0.366 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -7.451 -9.144 -4.243 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -8.738 -8.288 -3.360 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -7.242 -8.758 -2.518 1.00 0.88 H new ATOM 582 N PRO A 37 -10.778 -12.467 0.868 1.00 0.70 N ATOM 583 CA PRO A 37 -11.585 -12.477 2.093 1.00 0.76 C ATOM 584 C PRO A 37 -11.527 -11.145 2.840 1.00 0.68 C ATOM 585 O PRO A 37 -10.461 -10.553 2.993 1.00 0.66 O ATOM 586 CB PRO A 37 -10.970 -13.600 2.935 1.00 0.91 C ATOM 587 CG PRO A 37 -9.626 -13.850 2.344 1.00 0.86 C ATOM 588 CD PRO A 37 -9.745 -13.516 0.887 1.00 0.75 C ATOM 0 HA PRO A 37 -12.642 -12.632 1.876 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -10.890 -13.307 3.982 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -11.587 -14.498 2.902 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -8.868 -13.232 2.825 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.326 -14.889 2.483 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.800 -13.159 0.477 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.041 -14.384 0.297 1.00 0.75 H new ATOM 596 N PRO A 38 -12.683 -10.674 3.337 1.00 0.67 N ATOM 597 CA PRO A 38 -12.789 -9.396 4.055 1.00 0.65 C ATOM 598 C PRO A 38 -11.987 -9.358 5.361 1.00 0.74 C ATOM 599 O PRO A 38 -11.706 -8.283 5.894 1.00 0.75 O ATOM 600 CB PRO A 38 -14.289 -9.267 4.341 1.00 0.70 C ATOM 601 CG PRO A 38 -14.824 -10.655 4.258 1.00 0.76 C ATOM 602 CD PRO A 38 -13.984 -11.356 3.232 1.00 0.73 C ATOM 0 HA PRO A 38 -12.377 -8.578 3.464 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.466 -8.835 5.326 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -14.774 -8.614 3.615 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -14.761 -11.157 5.224 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -15.875 -10.652 3.968 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -13.898 -12.422 3.443 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.408 -11.262 2.232 1.00 0.73 H new ATOM 610 N ASP A 39 -11.613 -10.526 5.871 1.00 0.85 N ATOM 611 CA ASP A 39 -10.836 -10.614 7.109 1.00 1.00 C ATOM 612 C ASP A 39 -9.357 -10.369 6.836 1.00 0.95 C ATOM 613 O ASP A 39 -8.568 -10.150 7.754 1.00 1.05 O ATOM 614 CB ASP A 39 -11.022 -11.975 7.789 1.00 1.20 C ATOM 615 CG ASP A 39 -11.552 -13.030 6.847 1.00 1.18 C ATOM 616 OD1 ASP A 39 -10.744 -13.692 6.167 1.00 1.57 O ATOM 617 OD2 ASP A 39 -12.786 -13.190 6.774 1.00 1.53 O ATOM 0 H ASP A 39 -11.834 -11.428 5.448 1.00 0.85 H new ATOM 0 HA ASP A 39 -11.205 -9.841 7.783 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -10.067 -12.306 8.198 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -11.708 -11.866 8.629 1.00 1.20 H new ATOM 622 N GLN A 40 -8.985 -10.422 5.567 1.00 0.91 N ATOM 623 CA GLN A 40 -7.609 -10.183 5.157 1.00 0.94 C ATOM 624 C GLN A 40 -7.570 -9.020 4.176 1.00 0.84 C ATOM 625 O GLN A 40 -6.575 -8.791 3.487 1.00 0.93 O ATOM 626 CB GLN A 40 -7.011 -11.436 4.516 1.00 1.05 C ATOM 627 CG GLN A 40 -6.757 -12.566 5.501 1.00 1.25 C ATOM 628 CD GLN A 40 -5.742 -13.561 4.983 1.00 1.38 C ATOM 629 OE1 GLN A 40 -4.539 -13.415 5.212 1.00 1.98 O ATOM 630 NE2 GLN A 40 -6.215 -14.583 4.289 1.00 1.60 N ATOM 0 H GLN A 40 -9.621 -10.630 4.798 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.014 -9.936 6.037 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.685 -11.791 3.736 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.072 -11.172 4.030 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -6.406 -12.150 6.445 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -7.695 -13.081 5.709 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -7.218 -14.666 4.122 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -5.577 -15.288 3.920 1.00 1.60 H new ATOM 639 N GLN A 41 -8.671 -8.288 4.142 1.00 0.75 N ATOM 640 CA GLN A 41 -8.825 -7.150 3.253 1.00 0.70 C ATOM 641 C GLN A 41 -8.740 -5.848 4.041 1.00 0.60 C ATOM 642 O GLN A 41 -9.663 -5.506 4.784 1.00 0.68 O ATOM 643 CB GLN A 41 -10.173 -7.240 2.547 1.00 0.73 C ATOM 644 CG GLN A 41 -10.172 -6.716 1.126 1.00 0.74 C ATOM 645 CD GLN A 41 -11.572 -6.611 0.563 1.00 0.74 C ATOM 646 OE1 GLN A 41 -12.184 -5.547 0.600 1.00 1.32 O ATOM 647 NE2 GLN A 41 -12.098 -7.722 0.064 1.00 0.87 N ATOM 0 H GLN A 41 -9.484 -8.467 4.731 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.024 -7.163 2.514 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -10.495 -8.281 2.537 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -10.910 -6.684 3.126 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -9.696 -5.736 1.101 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -9.576 -7.376 0.496 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.553 -8.584 0.053 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -13.047 -7.714 -0.309 1.00 0.87 H new ATOM 656 N ARG A 42 -7.639 -5.130 3.884 1.00 0.54 N ATOM 657 CA ARG A 42 -7.443 -3.873 4.591 1.00 0.55 C ATOM 658 C ARG A 42 -7.439 -2.694 3.619 1.00 0.47 C ATOM 659 O ARG A 42 -6.441 -2.429 2.949 1.00 0.51 O ATOM 660 CB ARG A 42 -6.133 -3.911 5.385 1.00 0.71 C ATOM 661 CG ARG A 42 -5.960 -2.745 6.343 1.00 0.83 C ATOM 662 CD ARG A 42 -4.555 -2.716 6.922 1.00 1.06 C ATOM 663 NE ARG A 42 -4.557 -2.607 8.378 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.677 -3.224 9.170 1.00 0.94 C ATOM 665 NH1 ARG A 42 -2.751 -4.022 8.646 1.00 1.58 N ATOM 666 NH2 ARG A 42 -3.734 -3.055 10.484 1.00 1.55 N ATOM 0 H ARG A 42 -6.867 -5.396 3.273 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.273 -3.739 5.284 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.089 -4.842 5.950 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.296 -3.922 4.686 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -6.161 -1.809 5.822 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.688 -2.823 7.151 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.025 -3.622 6.629 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -4.007 -1.875 6.498 1.00 1.06 H new ATOM 0 HE ARG A 42 -5.272 -2.026 8.815 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -2.712 -4.164 7.637 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -2.080 -4.492 9.253 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -4.451 -2.453 10.890 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -3.061 -3.527 11.089 1.00 1.55 H new ATOM 680 N LEU A 43 -8.561 -1.999 3.541 1.00 0.47 N ATOM 681 CA LEU A 43 -8.687 -0.845 2.663 1.00 0.43 C ATOM 682 C LEU A 43 -8.281 0.422 3.409 1.00 0.47 C ATOM 683 O LEU A 43 -8.950 0.833 4.359 1.00 0.55 O ATOM 684 CB LEU A 43 -10.126 -0.716 2.157 1.00 0.44 C ATOM 685 CG LEU A 43 -10.584 -1.813 1.193 1.00 0.40 C ATOM 686 CD1 LEU A 43 -12.093 -1.762 1.004 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.879 -1.678 -0.148 1.00 0.40 C ATOM 0 H LEU A 43 -9.402 -2.214 4.077 1.00 0.47 H new ATOM 0 HA LEU A 43 -8.027 -0.982 1.807 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.796 -0.708 3.017 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -10.233 0.248 1.661 1.00 0.44 H new ATOM 0 HG LEU A 43 -10.321 -2.778 1.626 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.400 -2.549 0.315 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.585 -1.908 1.965 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.376 -0.792 0.595 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -10.219 -2.467 -0.819 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -10.110 -0.706 -0.584 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.802 -1.764 -0.003 1.00 0.40 H new ATOM 699 N ILE A 44 -7.181 1.029 2.990 1.00 0.45 N ATOM 700 CA ILE A 44 -6.694 2.245 3.630 1.00 0.50 C ATOM 701 C ILE A 44 -6.905 3.453 2.728 1.00 0.52 C ATOM 702 O ILE A 44 -6.637 3.396 1.525 1.00 0.52 O ATOM 703 CB ILE A 44 -5.197 2.143 3.995 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.901 0.804 4.675 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.793 3.299 4.902 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.449 0.627 5.059 1.00 0.62 C ATOM 0 H ILE A 44 -6.609 0.702 2.212 1.00 0.45 H new ATOM 0 HA ILE A 44 -7.268 2.368 4.549 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.613 2.200 3.077 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.518 0.716 5.569 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.192 -0.006 4.006 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.735 3.214 5.151 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.970 4.244 4.388 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -5.385 3.268 5.817 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.314 -0.344 5.535 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.827 0.682 4.166 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -3.158 1.415 5.753 1.00 0.62 H new ATOM 718 N PHE A 45 -7.393 4.541 3.309 1.00 0.56 N ATOM 719 CA PHE A 45 -7.639 5.760 2.557 1.00 0.59 C ATOM 720 C PHE A 45 -7.401 6.981 3.437 1.00 0.68 C ATOM 721 O PHE A 45 -7.803 6.994 4.602 1.00 0.72 O ATOM 722 CB PHE A 45 -9.071 5.776 2.011 1.00 0.65 C ATOM 723 CG PHE A 45 -9.356 6.942 1.104 1.00 0.73 C ATOM 724 CD1 PHE A 45 -8.716 7.058 -0.120 1.00 0.79 C ATOM 725 CD2 PHE A 45 -10.261 7.924 1.477 1.00 0.85 C ATOM 726 CE1 PHE A 45 -8.973 8.128 -0.953 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.520 8.997 0.648 1.00 0.96 C ATOM 728 CZ PHE A 45 -9.876 9.099 -0.569 1.00 0.98 C ATOM 0 H PHE A 45 -7.626 4.602 4.300 1.00 0.56 H new ATOM 0 HA PHE A 45 -6.946 5.791 1.716 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.254 4.850 1.467 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.770 5.797 2.847 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.008 6.302 -0.426 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.769 7.849 2.427 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -8.468 8.206 -1.905 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -11.226 9.756 0.951 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.078 9.937 -1.219 1.00 0.98 H new ATOM 738 N ALA A 46 -6.717 7.980 2.874 1.00 0.79 N ATOM 739 CA ALA A 46 -6.405 9.240 3.564 1.00 0.95 C ATOM 740 C ALA A 46 -5.324 9.064 4.633 1.00 0.94 C ATOM 741 O ALA A 46 -4.370 9.842 4.693 1.00 1.10 O ATOM 742 CB ALA A 46 -7.662 9.866 4.160 1.00 1.05 C ATOM 0 H ALA A 46 -6.360 7.940 1.919 1.00 0.79 H new ATOM 0 HA ALA A 46 -6.005 9.921 2.813 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -7.401 10.797 4.664 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -8.378 10.073 3.364 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -8.106 9.177 4.878 1.00 1.05 H new ATOM 748 N GLY A 47 -5.470 8.049 5.470 1.00 0.93 N ATOM 749 CA GLY A 47 -4.498 7.807 6.518 1.00 0.93 C ATOM 750 C GLY A 47 -4.900 6.653 7.407 1.00 0.82 C ATOM 751 O GLY A 47 -4.050 5.940 7.944 1.00 0.91 O ATOM 0 H GLY A 47 -6.245 7.387 5.443 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.526 7.598 6.070 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -4.384 8.707 7.122 1.00 0.93 H new ATOM 755 N LYS A 48 -6.201 6.467 7.561 1.00 0.78 N ATOM 756 CA LYS A 48 -6.728 5.394 8.387 1.00 0.77 C ATOM 757 C LYS A 48 -7.386 4.336 7.511 1.00 0.68 C ATOM 758 O LYS A 48 -7.562 4.540 6.307 1.00 0.61 O ATOM 759 CB LYS A 48 -7.748 5.933 9.398 1.00 0.91 C ATOM 760 CG LYS A 48 -7.214 7.047 10.287 1.00 1.51 C ATOM 761 CD LYS A 48 -7.546 8.423 9.733 1.00 2.12 C ATOM 762 CE LYS A 48 -7.175 9.526 10.713 1.00 2.92 C ATOM 763 NZ LYS A 48 -7.376 10.874 10.123 1.00 3.57 N ATOM 0 H LYS A 48 -6.914 7.049 7.122 1.00 0.78 H new ATOM 0 HA LYS A 48 -5.898 4.947 8.935 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.620 6.301 8.857 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -8.088 5.111 10.028 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -7.636 6.947 11.287 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -6.133 6.946 10.385 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -7.014 8.576 8.794 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -8.611 8.478 9.509 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -7.779 9.430 11.615 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -6.133 9.411 11.013 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -7.113 11.600 10.819 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -6.781 10.975 9.276 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -8.375 10.992 9.860 1.00 3.57 H new ATOM 777 N GLN A 49 -7.736 3.211 8.113 1.00 0.77 N ATOM 778 CA GLN A 49 -8.389 2.136 7.384 1.00 0.74 C ATOM 779 C GLN A 49 -9.899 2.331 7.419 1.00 0.72 C ATOM 780 O GLN A 49 -10.451 2.776 8.426 1.00 0.78 O ATOM 781 CB GLN A 49 -7.995 0.771 7.958 1.00 0.80 C ATOM 782 CG GLN A 49 -8.245 0.625 9.451 1.00 1.06 C ATOM 783 CD GLN A 49 -7.568 -0.602 10.036 1.00 1.51 C ATOM 784 OE1 GLN A 49 -6.516 -1.037 9.561 1.00 1.83 O ATOM 785 NE2 GLN A 49 -8.164 -1.167 11.073 1.00 2.01 N ATOM 0 H GLN A 49 -7.579 3.019 9.102 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.060 2.163 6.345 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.549 -0.006 7.431 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -6.937 0.598 7.760 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -7.884 1.515 9.966 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.318 0.565 9.632 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.033 -0.777 11.436 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -7.754 -1.993 11.509 1.00 2.01 H new ATOM 794 N LEU A 50 -10.555 2.014 6.313 1.00 0.68 N ATOM 795 CA LEU A 50 -11.999 2.163 6.207 1.00 0.68 C ATOM 796 C LEU A 50 -12.711 1.161 7.108 1.00 0.71 C ATOM 797 O LEU A 50 -12.556 -0.051 6.941 1.00 0.69 O ATOM 798 CB LEU A 50 -12.447 1.980 4.751 1.00 0.64 C ATOM 799 CG LEU A 50 -11.787 2.923 3.740 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.249 2.597 2.329 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.090 4.375 4.081 1.00 0.72 C ATOM 0 H LEU A 50 -10.108 1.650 5.472 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.265 3.168 6.533 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.242 0.952 4.452 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.527 2.118 4.700 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.708 2.780 3.791 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.771 3.276 1.623 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.977 1.570 2.085 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.331 2.711 2.265 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.612 5.028 3.351 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.168 4.536 4.061 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.708 4.602 5.076 1.00 0.72 H new ATOM 813 N GLU A 51 -13.473 1.673 8.068 1.00 0.76 N ATOM 814 CA GLU A 51 -14.208 0.819 8.988 1.00 0.79 C ATOM 815 C GLU A 51 -15.377 0.159 8.266 1.00 0.76 C ATOM 816 O GLU A 51 -16.112 0.818 7.529 1.00 0.77 O ATOM 817 CB GLU A 51 -14.712 1.620 10.192 1.00 0.88 C ATOM 818 CG GLU A 51 -13.609 2.337 10.962 1.00 0.94 C ATOM 819 CD GLU A 51 -14.101 2.918 12.275 1.00 1.04 C ATOM 820 OE1 GLU A 51 -14.669 4.031 12.267 1.00 1.33 O ATOM 821 OE2 GLU A 51 -13.924 2.263 13.326 1.00 1.25 O ATOM 0 H GLU A 51 -13.597 2.673 8.228 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.533 0.045 9.354 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.439 2.356 9.848 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.236 0.947 10.870 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -12.795 1.639 11.159 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.200 3.137 10.345 1.00 0.94 H new ATOM 828 N ASP A 52 -15.547 -1.138 8.487 1.00 0.77 N ATOM 829 CA ASP A 52 -16.611 -1.907 7.841 1.00 0.77 C ATOM 830 C ASP A 52 -17.998 -1.386 8.209 1.00 0.82 C ATOM 831 O ASP A 52 -18.952 -1.565 7.452 1.00 0.81 O ATOM 832 CB ASP A 52 -16.496 -3.396 8.194 1.00 0.81 C ATOM 833 CG ASP A 52 -16.486 -3.652 9.687 1.00 1.32 C ATOM 834 OD1 ASP A 52 -15.446 -3.387 10.331 1.00 1.87 O ATOM 835 OD2 ASP A 52 -17.510 -4.122 10.224 1.00 1.66 O ATOM 0 H ASP A 52 -14.958 -1.686 9.114 1.00 0.77 H new ATOM 0 HA ASP A 52 -16.486 -1.785 6.765 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -17.329 -3.936 7.744 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -15.582 -3.798 7.756 1.00 0.81 H new ATOM 840 N GLY A 53 -18.103 -0.727 9.357 1.00 0.93 N ATOM 841 CA GLY A 53 -19.379 -0.195 9.794 1.00 1.01 C ATOM 842 C GLY A 53 -19.646 1.203 9.266 1.00 0.95 C ATOM 843 O GLY A 53 -20.624 1.842 9.658 1.00 1.04 O ATOM 0 H GLY A 53 -17.326 -0.552 9.994 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.177 -0.861 9.465 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -19.406 -0.178 10.884 1.00 1.01 H new ATOM 847 N ARG A 54 -18.786 1.679 8.373 1.00 0.92 N ATOM 848 CA ARG A 54 -18.936 3.009 7.795 1.00 0.87 C ATOM 849 C ARG A 54 -19.245 2.922 6.304 1.00 0.83 C ATOM 850 O ARG A 54 -19.086 1.869 5.689 1.00 0.82 O ATOM 851 CB ARG A 54 -17.660 3.829 8.004 1.00 0.87 C ATOM 852 CG ARG A 54 -17.387 4.184 9.455 1.00 0.92 C ATOM 853 CD ARG A 54 -18.292 5.305 9.933 1.00 1.02 C ATOM 854 NE ARG A 54 -17.540 6.334 10.651 1.00 1.23 N ATOM 855 CZ ARG A 54 -18.080 7.200 11.503 1.00 1.64 C ATOM 856 NH1 ARG A 54 -19.384 7.158 11.758 1.00 1.89 N ATOM 857 NH2 ARG A 54 -17.313 8.100 12.110 1.00 1.95 N ATOM 0 H ARG A 54 -17.975 1.162 8.033 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.768 3.501 8.299 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -16.811 3.269 7.612 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.731 4.748 7.423 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.535 3.304 10.080 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -16.345 4.483 9.568 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -18.799 5.753 9.079 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -19.065 4.897 10.584 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.535 6.391 10.487 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -19.971 6.461 11.300 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -19.797 7.823 12.412 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -16.311 8.126 11.922 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -17.727 8.765 12.764 1.00 1.95 H new ATOM 871 N THR A 55 -19.701 4.026 5.735 1.00 0.84 N ATOM 872 CA THR A 55 -20.019 4.080 4.315 1.00 0.82 C ATOM 873 C THR A 55 -18.983 4.924 3.575 1.00 0.80 C ATOM 874 O THR A 55 -18.072 5.479 4.193 1.00 0.83 O ATOM 875 CB THR A 55 -21.423 4.675 4.080 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.565 5.898 4.816 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.511 3.699 4.503 1.00 0.85 C ATOM 0 H THR A 55 -19.860 4.900 6.236 1.00 0.84 H new ATOM 0 HA THR A 55 -20.004 3.060 3.932 1.00 0.82 H new ATOM 0 HB THR A 55 -21.531 4.872 3.013 1.00 0.89 H new ATOM 0 HG1 THR A 55 -21.469 5.716 5.774 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.489 4.146 4.326 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.421 2.780 3.923 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.403 3.471 5.563 1.00 0.85 H new ATOM 885 N LEU A 56 -19.111 5.022 2.258 1.00 0.78 N ATOM 886 CA LEU A 56 -18.179 5.818 1.466 1.00 0.77 C ATOM 887 C LEU A 56 -18.415 7.304 1.713 1.00 0.83 C ATOM 888 O LEU A 56 -17.477 8.103 1.765 1.00 0.88 O ATOM 889 CB LEU A 56 -18.318 5.492 -0.025 1.00 0.77 C ATOM 890 CG LEU A 56 -17.748 4.136 -0.450 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.824 3.062 -0.411 1.00 0.91 C ATOM 892 CD2 LEU A 56 -17.133 4.229 -1.836 1.00 1.12 C ATOM 0 H LEU A 56 -19.845 4.564 1.718 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.163 5.569 1.774 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.375 5.524 -0.291 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -17.821 6.274 -0.600 1.00 0.77 H new ATOM 0 HG LEU A 56 -16.966 3.857 0.256 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.396 2.107 -0.717 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.216 2.976 0.603 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -19.632 3.332 -1.091 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.733 3.256 -2.122 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -17.896 4.533 -2.553 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.329 4.965 -1.829 1.00 1.12 H new ATOM 904 N SER A 57 -19.678 7.663 1.893 1.00 0.84 N ATOM 905 CA SER A 57 -20.055 9.043 2.144 1.00 0.90 C ATOM 906 C SER A 57 -19.630 9.474 3.546 1.00 0.95 C ATOM 907 O SER A 57 -19.510 10.667 3.827 1.00 1.03 O ATOM 908 CB SER A 57 -21.562 9.190 1.981 1.00 0.93 C ATOM 909 OG SER A 57 -22.074 8.169 1.142 1.00 1.15 O ATOM 0 H SER A 57 -20.462 7.011 1.869 1.00 0.84 H new ATOM 0 HA SER A 57 -19.547 9.686 1.426 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.045 9.143 2.957 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.794 10.167 1.557 1.00 0.93 H new ATOM 0 HG SER A 57 -23.044 8.277 1.049 1.00 1.15 H new ATOM 915 N ASP A 58 -19.386 8.493 4.416 1.00 0.93 N ATOM 916 CA ASP A 58 -18.973 8.762 5.792 1.00 0.99 C ATOM 917 C ASP A 58 -17.670 9.543 5.824 1.00 0.99 C ATOM 918 O ASP A 58 -17.528 10.505 6.578 1.00 1.06 O ATOM 919 CB ASP A 58 -18.797 7.460 6.573 1.00 1.04 C ATOM 920 CG ASP A 58 -19.991 7.136 7.441 1.00 1.27 C ATOM 921 OD1 ASP A 58 -20.373 7.983 8.272 1.00 1.45 O ATOM 922 OD2 ASP A 58 -20.555 6.031 7.291 1.00 1.93 O ATOM 0 H ASP A 58 -19.468 7.502 4.190 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.759 9.356 6.258 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -18.628 6.641 5.874 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -17.907 7.533 7.198 1.00 1.04 H new ATOM 927 N TYR A 59 -16.720 9.119 4.999 1.00 0.95 N ATOM 928 CA TYR A 59 -15.424 9.777 4.915 1.00 0.97 C ATOM 929 C TYR A 59 -15.427 10.796 3.784 1.00 1.00 C ATOM 930 O TYR A 59 -14.396 11.400 3.478 1.00 1.06 O ATOM 931 CB TYR A 59 -14.311 8.753 4.665 1.00 0.94 C ATOM 932 CG TYR A 59 -14.255 7.627 5.673 1.00 0.89 C ATOM 933 CD1 TYR A 59 -13.534 7.761 6.852 1.00 0.91 C ATOM 934 CD2 TYR A 59 -14.916 6.428 5.439 1.00 0.87 C ATOM 935 CE1 TYR A 59 -13.474 6.729 7.770 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.861 5.394 6.352 1.00 0.88 C ATOM 937 CZ TYR A 59 -14.139 5.550 7.516 1.00 0.88 C ATOM 938 OH TYR A 59 -14.083 4.522 8.426 1.00 0.93 O ATOM 0 H TYR A 59 -16.825 8.318 4.376 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.238 10.281 5.864 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -14.444 8.327 3.671 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.352 9.271 4.664 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -13.013 8.685 7.055 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.482 6.303 4.528 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -12.908 6.847 8.682 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -15.381 4.468 6.155 1.00 0.88 H new ATOM 0 HH TYR A 59 -13.980 4.889 9.329 1.00 0.93 H new ATOM 948 N ASN A 60 -16.600 10.971 3.169 1.00 0.98 N ATOM 949 CA ASN A 60 -16.780 11.895 2.049 1.00 1.03 C ATOM 950 C ASN A 60 -15.800 11.552 0.931 1.00 1.00 C ATOM 951 O ASN A 60 -15.045 12.401 0.453 1.00 1.07 O ATOM 952 CB ASN A 60 -16.602 13.349 2.501 1.00 1.14 C ATOM 953 CG ASN A 60 -17.270 14.339 1.563 1.00 1.17 C ATOM 954 OD1 ASN A 60 -16.666 14.807 0.600 1.00 1.43 O ATOM 955 ND2 ASN A 60 -18.522 14.668 1.841 1.00 1.27 N ATOM 0 H ASN A 60 -17.451 10.475 3.435 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.797 11.789 1.671 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -17.016 13.467 3.502 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -15.538 13.577 2.567 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -19.019 15.331 1.247 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -18.990 14.258 2.650 1.00 1.27 H new ATOM 962 N ILE A 61 -15.798 10.287 0.540 1.00 0.92 N ATOM 963 CA ILE A 61 -14.913 9.805 -0.506 1.00 0.90 C ATOM 964 C ILE A 61 -15.403 10.252 -1.879 1.00 0.96 C ATOM 965 O ILE A 61 -16.512 9.922 -2.291 1.00 1.00 O ATOM 966 CB ILE A 61 -14.793 8.264 -0.472 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.320 7.800 0.910 1.00 0.81 C ATOM 968 CG2 ILE A 61 -13.840 7.777 -1.553 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.258 6.296 1.064 1.00 0.77 C ATOM 0 H ILE A 61 -16.406 9.571 0.937 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.928 10.234 -0.323 1.00 0.90 H new ATOM 0 HB ILE A 61 -15.776 7.835 -0.666 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.331 8.216 1.103 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.990 8.206 1.668 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -13.769 6.690 -1.513 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.214 8.080 -2.531 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -12.853 8.211 -1.391 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.915 6.047 2.068 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.250 5.873 0.904 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.565 5.883 0.331 1.00 0.77 H new ATOM 981 N GLN A 62 -14.575 11.022 -2.566 1.00 1.01 N ATOM 982 CA GLN A 62 -14.907 11.514 -3.891 1.00 1.09 C ATOM 983 C GLN A 62 -14.733 10.412 -4.929 1.00 1.01 C ATOM 984 O GLN A 62 -14.006 9.442 -4.701 1.00 0.95 O ATOM 985 CB GLN A 62 -14.032 12.719 -4.238 1.00 1.21 C ATOM 986 CG GLN A 62 -14.830 13.976 -4.534 1.00 1.47 C ATOM 987 CD GLN A 62 -15.354 14.017 -5.954 1.00 1.79 C ATOM 988 OE1 GLN A 62 -16.423 13.483 -6.254 1.00 2.18 O ATOM 989 NE2 GLN A 62 -14.600 14.649 -6.836 1.00 2.18 N ATOM 0 H GLN A 62 -13.662 11.321 -2.224 1.00 1.01 H new ATOM 0 HA GLN A 62 -15.951 11.827 -3.896 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -13.352 12.916 -3.409 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -13.417 12.475 -5.104 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -15.668 14.041 -3.840 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -14.202 14.849 -4.358 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -13.722 15.077 -6.543 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -14.896 14.709 -7.810 1.00 2.18 H new ATOM 998 N LYS A 63 -15.403 10.563 -6.061 1.00 1.04 N ATOM 999 CA LYS A 63 -15.330 9.579 -7.129 1.00 1.05 C ATOM 1000 C LYS A 63 -13.919 9.508 -7.705 1.00 0.99 C ATOM 1001 O LYS A 63 -13.208 10.515 -7.735 1.00 1.00 O ATOM 1002 CB LYS A 63 -16.326 9.925 -8.239 1.00 1.19 C ATOM 1003 CG LYS A 63 -16.002 11.224 -8.968 1.00 1.25 C ATOM 1004 CD LYS A 63 -16.800 11.360 -10.256 1.00 1.54 C ATOM 1005 CE LYS A 63 -16.316 12.536 -11.092 1.00 1.61 C ATOM 1006 NZ LYS A 63 -14.902 12.370 -11.527 1.00 2.42 N ATOM 0 H LYS A 63 -16.005 11.361 -6.264 1.00 1.04 H new ATOM 0 HA LYS A 63 -15.585 8.605 -6.710 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -16.350 9.109 -8.961 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -17.325 9.999 -7.809 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -16.216 12.071 -8.316 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -14.936 11.258 -9.195 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -16.716 10.441 -10.836 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -17.856 11.491 -10.019 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -16.954 12.644 -11.969 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -16.411 13.455 -10.514 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -14.715 12.986 -12.344 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -14.266 12.628 -10.746 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -14.735 11.379 -11.796 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.526 8.312 -8.146 1.00 1.01 N ATOM 1021 CA GLU A 64 -12.210 8.086 -8.740 1.00 1.02 C ATOM 1022 C GLU A 64 -11.093 8.551 -7.814 1.00 0.93 C ATOM 1023 O GLU A 64 -10.250 9.366 -8.190 1.00 1.02 O ATOM 1024 CB GLU A 64 -12.120 8.799 -10.092 1.00 1.16 C ATOM 1025 CG GLU A 64 -13.214 8.377 -11.057 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.236 9.205 -12.322 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.322 9.046 -13.154 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -14.173 10.016 -12.494 1.00 1.50 O ATOM 0 H GLU A 64 -14.109 7.476 -8.101 1.00 1.01 H new ATOM 0 HA GLU A 64 -12.084 7.014 -8.892 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -12.178 9.876 -9.934 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -11.148 8.595 -10.541 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -13.076 7.328 -11.318 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -14.181 8.457 -10.560 1.00 1.41 H new ATOM 1035 N SER A 65 -11.114 8.042 -6.593 1.00 0.88 N ATOM 1036 CA SER A 65 -10.109 8.381 -5.599 1.00 0.92 C ATOM 1037 C SER A 65 -8.980 7.353 -5.611 1.00 0.80 C ATOM 1038 O SER A 65 -9.136 6.258 -6.157 1.00 0.74 O ATOM 1039 CB SER A 65 -10.765 8.433 -4.220 1.00 1.08 C ATOM 1040 OG SER A 65 -11.990 7.716 -4.228 1.00 1.07 O ATOM 0 H SER A 65 -11.823 7.387 -6.264 1.00 0.88 H new ATOM 0 HA SER A 65 -9.683 9.356 -5.835 1.00 0.92 H new ATOM 0 HB2 SER A 65 -10.093 8.009 -3.474 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.945 9.469 -3.934 1.00 1.08 H new ATOM 0 HG SER A 65 -12.736 8.345 -4.318 1.00 1.07 H new ATOM 1046 N THR A 66 -7.853 7.705 -5.005 1.00 0.82 N ATOM 1047 CA THR A 66 -6.710 6.811 -4.953 1.00 0.77 C ATOM 1048 C THR A 66 -6.709 5.982 -3.666 1.00 0.67 C ATOM 1049 O THR A 66 -6.131 6.382 -2.651 1.00 0.72 O ATOM 1050 CB THR A 66 -5.388 7.596 -5.056 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.474 8.565 -6.112 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.219 6.657 -5.311 1.00 1.37 C ATOM 0 H THR A 66 -7.709 8.603 -4.544 1.00 0.82 H new ATOM 0 HA THR A 66 -6.792 6.137 -5.806 1.00 0.77 H new ATOM 0 HB THR A 66 -5.219 8.108 -4.109 1.00 0.95 H new ATOM 0 HG1 THR A 66 -4.832 8.338 -6.817 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.297 7.234 -5.380 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.140 5.943 -4.491 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.381 6.119 -6.245 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.366 4.830 -3.708 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.425 3.941 -2.553 1.00 0.54 C ATOM 1062 C LEU A 67 -6.268 2.947 -2.599 1.00 0.48 C ATOM 1063 O LEU A 67 -5.648 2.754 -3.645 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.759 3.193 -2.504 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.910 3.951 -1.843 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.572 4.896 -2.829 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -10.926 2.974 -1.274 1.00 0.77 C ATOM 0 H LEU A 67 -7.866 4.489 -4.529 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.341 4.547 -1.651 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -9.051 2.938 -3.523 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.611 2.254 -1.971 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.504 4.547 -1.026 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.388 5.424 -2.335 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.839 5.617 -3.190 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.965 4.326 -3.671 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.740 3.527 -0.806 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.323 2.353 -2.077 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.444 2.340 -0.530 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.969 2.327 -1.467 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.885 1.356 -1.397 1.00 0.49 C ATOM 1081 C HIS A 68 -5.337 0.103 -0.657 1.00 0.46 C ATOM 1082 O HIS A 68 -5.854 0.185 0.460 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.657 1.964 -0.709 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.760 2.727 -1.637 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.628 2.184 -2.208 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -2.829 4.005 -2.092 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.043 3.087 -2.970 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -1.747 4.202 -2.919 1.00 2.11 N ATOM 0 H HIS A 68 -6.460 2.478 -0.586 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.610 1.080 -2.415 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -3.990 2.629 0.088 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.083 1.166 -0.238 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -3.591 4.731 -1.850 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.138 2.939 -3.541 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -1.526 5.067 -3.411 1.00 2.11 H new ATOM 1097 N LEU A 69 -5.155 -1.050 -1.289 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.546 -2.319 -0.690 1.00 0.44 C ATOM 1099 C LEU A 69 -4.329 -3.023 -0.106 1.00 0.49 C ATOM 1100 O LEU A 69 -3.411 -3.406 -0.831 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.232 -3.219 -1.723 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.625 -4.616 -1.227 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.491 -4.524 0.022 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -7.353 -5.378 -2.325 1.00 0.64 C ATOM 0 H LEU A 69 -4.739 -1.132 -2.217 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.255 -2.115 0.112 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -7.130 -2.714 -2.080 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.567 -3.331 -2.580 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.715 -5.158 -0.969 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.757 -5.527 0.355 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.938 -4.014 0.811 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.398 -3.964 -0.205 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -7.627 -6.368 -1.961 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -8.254 -4.834 -2.609 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.701 -5.478 -3.192 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.330 -3.166 1.207 1.00 0.56 N ATOM 1117 CA VAL A 70 -3.244 -3.820 1.918 1.00 0.66 C ATOM 1118 C VAL A 70 -3.806 -4.987 2.726 1.00 0.74 C ATOM 1119 O VAL A 70 -5.010 -5.252 2.686 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.510 -2.833 2.861 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -1.086 -3.292 3.144 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.504 -1.425 2.279 1.00 0.97 C ATOM 0 H VAL A 70 -5.082 -2.833 1.811 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.521 -4.183 1.187 1.00 0.66 H new ATOM 0 HB VAL A 70 -3.056 -2.816 3.804 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.599 -2.578 3.808 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -1.107 -4.273 3.619 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.531 -3.354 2.208 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.983 -0.752 2.960 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -1.995 -1.432 1.315 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.530 -1.082 2.145 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.947 -5.679 3.452 1.00 0.77 N ATOM 1133 CA LEU A 71 -3.373 -6.810 4.259 1.00 0.87 C ATOM 1134 C LEU A 71 -3.100 -6.538 5.733 1.00 0.90 C ATOM 1135 O LEU A 71 -2.874 -5.394 6.137 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.648 -8.088 3.821 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.711 -8.399 2.325 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -1.421 -7.972 1.637 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -2.976 -9.880 2.102 1.00 1.52 C ATOM 0 H LEU A 71 -1.948 -5.478 3.500 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.444 -6.950 4.116 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.601 -8.010 4.115 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.071 -8.931 4.368 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.534 -7.834 1.887 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -1.483 -8.201 0.573 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -1.275 -6.900 1.770 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -0.580 -8.509 2.075 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -3.018 -10.085 1.032 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -2.174 -10.465 2.552 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -3.926 -10.153 2.561 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.130 -7.592 6.534 1.00 0.98 N ATOM 1152 CA ARG A 72 -2.875 -7.472 7.959 1.00 1.06 C ATOM 1153 C ARG A 72 -1.470 -7.965 8.279 1.00 0.98 C ATOM 1154 O ARG A 72 -0.925 -8.819 7.572 1.00 0.98 O ATOM 1155 CB ARG A 72 -3.910 -8.256 8.777 1.00 1.26 C ATOM 1156 CG ARG A 72 -4.523 -9.436 8.038 1.00 1.27 C ATOM 1157 CD ARG A 72 -5.476 -10.220 8.929 1.00 1.51 C ATOM 1158 NE ARG A 72 -4.763 -11.119 9.835 1.00 1.92 N ATOM 1159 CZ ARG A 72 -5.081 -12.403 10.018 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -6.159 -12.921 9.434 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -4.335 -13.161 10.811 1.00 2.72 N ATOM 0 H ARG A 72 -3.329 -8.542 6.219 1.00 0.98 H new ATOM 0 HA ARG A 72 -2.958 -6.420 8.232 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -3.437 -8.619 9.689 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -4.707 -7.577 9.080 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -5.058 -9.077 7.159 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -3.731 -10.095 7.683 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -6.083 -9.526 9.510 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -6.160 -10.798 8.308 1.00 1.51 H new ATOM 0 HE ARG A 72 -3.974 -10.742 10.360 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -6.749 -12.336 8.842 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -6.395 -13.903 9.579 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -3.521 -12.763 11.279 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -4.576 -14.142 10.953 1.00 2.72 H new ATOM 1175 N LEU A 73 -0.884 -7.420 9.335 1.00 1.04 N ATOM 1176 CA LEU A 73 0.460 -7.799 9.749 1.00 1.05 C ATOM 1177 C LEU A 73 0.396 -8.923 10.772 1.00 1.17 C ATOM 1178 O LEU A 73 1.240 -9.821 10.789 1.00 1.27 O ATOM 1179 CB LEU A 73 1.196 -6.592 10.337 1.00 1.16 C ATOM 1180 CG LEU A 73 2.657 -6.842 10.719 1.00 1.25 C ATOM 1181 CD1 LEU A 73 3.485 -7.172 9.484 1.00 1.23 C ATOM 1182 CD2 LEU A 73 3.231 -5.636 11.446 1.00 1.44 C ATOM 0 H LEU A 73 -1.320 -6.710 9.924 1.00 1.04 H new ATOM 0 HA LEU A 73 1.008 -8.150 8.875 1.00 1.05 H new ATOM 0 HB2 LEU A 73 1.161 -5.777 9.614 1.00 1.16 H new ATOM 0 HB3 LEU A 73 0.658 -6.255 11.223 1.00 1.16 H new ATOM 0 HG LEU A 73 2.696 -7.698 11.393 1.00 1.25 H new ATOM 0 HD11 LEU A 73 4.521 -7.346 9.776 1.00 1.23 H new ATOM 0 HD12 LEU A 73 3.087 -8.068 9.008 1.00 1.23 H new ATOM 0 HD13 LEU A 73 3.441 -6.338 8.783 1.00 1.23 H new ATOM 0 HD21 LEU A 73 4.270 -5.831 11.710 1.00 1.44 H new ATOM 0 HD22 LEU A 73 3.179 -4.762 10.797 1.00 1.44 H new ATOM 0 HD23 LEU A 73 2.655 -5.450 12.353 1.00 1.44 H new ATOM 1194 N ARG A 74 -0.620 -8.867 11.623 1.00 1.29 N ATOM 1195 CA ARG A 74 -0.815 -9.871 12.656 1.00 1.48 C ATOM 1196 C ARG A 74 -2.251 -10.374 12.626 1.00 1.52 C ATOM 1197 O ARG A 74 -2.996 -10.085 11.686 1.00 1.42 O ATOM 1198 CB ARG A 74 -0.477 -9.292 14.035 1.00 1.65 C ATOM 1199 CG ARG A 74 1.010 -9.093 14.266 1.00 1.66 C ATOM 1200 CD ARG A 74 1.298 -8.584 15.669 1.00 1.87 C ATOM 1201 NE ARG A 74 2.730 -8.594 15.965 1.00 2.02 N ATOM 1202 CZ ARG A 74 3.283 -7.998 17.023 1.00 2.49 C ATOM 1203 NH1 ARG A 74 2.527 -7.332 17.887 1.00 3.05 N ATOM 1204 NH2 ARG A 74 4.596 -8.063 17.208 1.00 2.67 N ATOM 0 H ARG A 74 -1.326 -8.130 11.616 1.00 1.29 H new ATOM 0 HA ARG A 74 -0.146 -10.709 12.464 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -0.985 -8.335 14.152 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -0.869 -9.957 14.804 1.00 1.65 H new ATOM 0 HG2 ARG A 74 1.532 -10.036 14.107 1.00 1.66 H new ATOM 0 HG3 ARG A 74 1.400 -8.385 13.535 1.00 1.66 H new ATOM 0 HD2 ARG A 74 0.912 -7.570 15.775 1.00 1.87 H new ATOM 0 HD3 ARG A 74 0.772 -9.203 16.396 1.00 1.87 H new ATOM 0 HE ARG A 74 3.346 -9.089 15.321 1.00 2.02 H new ATOM 0 HH11 ARG A 74 1.519 -7.274 17.744 1.00 3.05 H new ATOM 0 HH12 ARG A 74 2.954 -6.878 18.694 1.00 3.05 H new ATOM 0 HH21 ARG A 74 5.181 -8.568 16.542 1.00 2.67 H new ATOM 0 HH22 ARG A 74 5.020 -7.608 18.016 1.00 2.67 H new ATOM 1319 N GLY B 55 23.604 -0.005 -10.649 1.00 1.77 N ATOM 1320 CA GLY B 55 22.536 0.894 -11.039 1.00 1.76 C ATOM 1321 C GLY B 55 21.863 1.560 -9.858 1.00 1.40 C ATOM 1322 O GLY B 55 20.845 1.077 -9.364 1.00 1.29 O ATOM 0 HA2 GLY B 55 22.938 1.661 -11.701 1.00 1.76 H new ATOM 0 HA3 GLY B 55 21.791 0.339 -11.609 1.00 1.76 H new ATOM 1326 N LYS B 56 22.433 2.665 -9.402 1.00 1.43 N ATOM 1327 CA LYS B 56 21.878 3.406 -8.281 1.00 1.15 C ATOM 1328 C LYS B 56 20.832 4.389 -8.778 1.00 1.13 C ATOM 1329 O LYS B 56 21.059 5.100 -9.756 1.00 1.19 O ATOM 1330 CB LYS B 56 22.977 4.165 -7.536 1.00 1.16 C ATOM 1331 CG LYS B 56 23.949 3.268 -6.792 1.00 1.14 C ATOM 1332 CD LYS B 56 23.291 2.612 -5.591 1.00 1.03 C ATOM 1333 CE LYS B 56 24.315 1.929 -4.707 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.696 1.295 -3.520 1.00 1.04 N ATOM 0 H LYS B 56 23.284 3.069 -9.794 1.00 1.43 H new ATOM 0 HA LYS B 56 21.416 2.695 -7.596 1.00 1.15 H new ATOM 0 HB2 LYS B 56 23.533 4.773 -8.250 1.00 1.16 H new ATOM 0 HB3 LYS B 56 22.514 4.850 -6.826 1.00 1.16 H new ATOM 0 HG2 LYS B 56 24.326 2.500 -7.467 1.00 1.14 H new ATOM 0 HG3 LYS B 56 24.808 3.853 -6.463 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.752 3.363 -5.013 1.00 1.03 H new ATOM 0 HD3 LYS B 56 22.556 1.882 -5.930 1.00 1.03 H new ATOM 0 HE2 LYS B 56 24.845 1.173 -5.286 1.00 1.13 H new ATOM 0 HE3 LYS B 56 25.056 2.659 -4.382 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 24.439 1.020 -2.846 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.048 1.969 -3.065 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 23.166 0.450 -3.814 1.00 1.04 H new ATOM 1348 N VAL B 57 19.694 4.429 -8.111 1.00 1.12 N ATOM 1349 CA VAL B 57 18.630 5.339 -8.499 1.00 1.13 C ATOM 1350 C VAL B 57 18.761 6.645 -7.731 1.00 1.07 C ATOM 1351 O VAL B 57 19.042 6.645 -6.530 1.00 0.99 O ATOM 1352 CB VAL B 57 17.230 4.743 -8.256 1.00 1.11 C ATOM 1353 CG1 VAL B 57 16.192 5.465 -9.103 1.00 1.23 C ATOM 1354 CG2 VAL B 57 17.216 3.251 -8.548 1.00 1.15 C ATOM 0 H VAL B 57 19.482 3.846 -7.302 1.00 1.12 H new ATOM 0 HA VAL B 57 18.734 5.517 -9.569 1.00 1.13 H new ATOM 0 HB VAL B 57 16.978 4.882 -7.205 1.00 1.11 H new ATOM 0 HG11 VAL B 57 15.208 5.032 -8.920 1.00 1.23 H new ATOM 0 HG12 VAL B 57 16.178 6.522 -8.839 1.00 1.23 H new ATOM 0 HG13 VAL B 57 16.445 5.358 -10.158 1.00 1.23 H new ATOM 0 HG21 VAL B 57 16.217 2.855 -8.369 1.00 1.15 H new ATOM 0 HG22 VAL B 57 17.492 3.081 -9.589 1.00 1.15 H new ATOM 0 HG23 VAL B 57 17.929 2.746 -7.896 1.00 1.15 H new ATOM 1364 N LEU B 58 18.570 7.753 -8.427 1.00 1.14 N ATOM 1365 CA LEU B 58 18.686 9.060 -7.811 1.00 1.13 C ATOM 1366 C LEU B 58 17.324 9.585 -7.376 1.00 1.12 C ATOM 1367 O LEU B 58 16.455 9.867 -8.206 1.00 1.20 O ATOM 1368 CB LEU B 58 19.338 10.045 -8.781 1.00 1.28 C ATOM 1369 CG LEU B 58 19.787 11.365 -8.159 1.00 1.36 C ATOM 1370 CD1 LEU B 58 21.147 11.207 -7.500 1.00 1.29 C ATOM 1371 CD2 LEU B 58 19.821 12.460 -9.211 1.00 1.76 C ATOM 0 H LEU B 58 18.334 7.772 -9.419 1.00 1.14 H new ATOM 0 HA LEU B 58 19.313 8.960 -6.925 1.00 1.13 H new ATOM 0 HB2 LEU B 58 20.203 9.563 -9.237 1.00 1.28 H new ATOM 0 HB3 LEU B 58 18.633 10.261 -9.584 1.00 1.28 H new ATOM 0 HG LEU B 58 19.068 11.650 -7.391 1.00 1.36 H new ATOM 0 HD11 LEU B 58 21.452 12.157 -7.062 1.00 1.29 H new ATOM 0 HD12 LEU B 58 21.087 10.450 -6.718 1.00 1.29 H new ATOM 0 HD13 LEU B 58 21.880 10.900 -8.247 1.00 1.29 H new ATOM 0 HD21 LEU B 58 20.143 13.395 -8.753 1.00 1.76 H new ATOM 0 HD22 LEU B 58 20.519 12.184 -10.001 1.00 1.76 H new ATOM 0 HD23 LEU B 58 18.825 12.588 -9.635 1.00 1.76 H new ATOM 1383 N TYR B 59 17.137 9.697 -6.073 1.00 1.06 N ATOM 1384 CA TYR B 59 15.897 10.209 -5.517 1.00 1.06 C ATOM 1385 C TYR B 59 16.209 11.426 -4.651 1.00 1.09 C ATOM 1386 O TYR B 59 16.988 11.340 -3.701 1.00 1.06 O ATOM 1387 CB TYR B 59 15.147 9.105 -4.740 1.00 0.97 C ATOM 1388 CG TYR B 59 15.062 9.286 -3.238 1.00 0.89 C ATOM 1389 CD1 TYR B 59 14.009 9.986 -2.660 1.00 1.03 C ATOM 1390 CD2 TYR B 59 16.026 8.744 -2.396 1.00 1.03 C ATOM 1391 CE1 TYR B 59 13.922 10.144 -1.291 1.00 1.27 C ATOM 1392 CE2 TYR B 59 15.945 8.896 -1.026 1.00 1.28 C ATOM 1393 CZ TYR B 59 14.890 9.597 -0.478 1.00 1.38 C ATOM 1394 OH TYR B 59 14.801 9.752 0.889 1.00 1.77 O ATOM 0 H TYR B 59 17.834 9.438 -5.375 1.00 1.06 H new ATOM 0 HA TYR B 59 15.229 10.524 -6.319 1.00 1.06 H new ATOM 0 HB2 TYR B 59 14.133 9.036 -5.135 1.00 0.97 H new ATOM 0 HB3 TYR B 59 15.634 8.151 -4.943 1.00 0.97 H new ATOM 0 HD1 TYR B 59 13.246 10.414 -3.293 1.00 1.03 H new ATOM 0 HD2 TYR B 59 16.853 8.194 -2.821 1.00 1.03 H new ATOM 0 HE1 TYR B 59 13.099 10.694 -0.860 1.00 1.27 H new ATOM 0 HE2 TYR B 59 16.703 8.469 -0.387 1.00 1.28 H new ATOM 0 HH TYR B 59 15.561 9.306 1.319 1.00 1.77 H new ATOM 1404 N GLU B 60 15.645 12.568 -5.031 1.00 1.18 N ATOM 1405 CA GLU B 60 15.853 13.823 -4.312 1.00 1.24 C ATOM 1406 C GLU B 60 17.342 14.171 -4.236 1.00 1.34 C ATOM 1407 O GLU B 60 17.801 14.775 -3.268 1.00 1.90 O ATOM 1408 CB GLU B 60 15.249 13.743 -2.906 1.00 1.13 C ATOM 1409 CG GLU B 60 13.734 13.622 -2.895 1.00 1.09 C ATOM 1410 CD GLU B 60 13.051 14.858 -3.436 1.00 1.49 C ATOM 1411 OE1 GLU B 60 12.839 15.812 -2.658 1.00 2.02 O ATOM 1412 OE2 GLU B 60 12.712 14.879 -4.639 1.00 1.66 O ATOM 0 H GLU B 60 15.033 12.651 -5.843 1.00 1.18 H new ATOM 0 HA GLU B 60 15.347 14.616 -4.863 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.676 12.886 -2.385 1.00 1.13 H new ATOM 0 HB3 GLU B 60 15.537 14.632 -2.346 1.00 1.13 H new ATOM 0 HG2 GLU B 60 13.437 12.757 -3.489 1.00 1.09 H new ATOM 0 HG3 GLU B 60 13.395 13.440 -1.875 1.00 1.09 H new ATOM 1419 N GLY B 61 18.089 13.769 -5.257 1.00 1.27 N ATOM 1420 CA GLY B 61 19.515 14.051 -5.302 1.00 1.32 C ATOM 1421 C GLY B 61 20.354 13.029 -4.551 1.00 1.22 C ATOM 1422 O GLY B 61 21.581 13.137 -4.507 1.00 1.33 O ATOM 0 H GLY B 61 17.732 13.250 -6.059 1.00 1.27 H new ATOM 0 HA2 GLY B 61 19.839 14.083 -6.342 1.00 1.32 H new ATOM 0 HA3 GLY B 61 19.696 15.040 -4.881 1.00 1.32 H new ATOM 1426 N LYS B 62 19.702 12.030 -3.970 1.00 1.08 N ATOM 1427 CA LYS B 62 20.404 10.993 -3.224 1.00 1.02 C ATOM 1428 C LYS B 62 20.407 9.676 -3.995 1.00 1.00 C ATOM 1429 O LYS B 62 19.395 9.284 -4.576 1.00 1.00 O ATOM 1430 CB LYS B 62 19.758 10.804 -1.849 1.00 0.92 C ATOM 1431 CG LYS B 62 20.502 9.830 -0.945 1.00 0.90 C ATOM 1432 CD LYS B 62 19.992 9.891 0.487 1.00 0.94 C ATOM 1433 CE LYS B 62 20.248 11.255 1.114 1.00 1.30 C ATOM 1434 NZ LYS B 62 20.194 11.205 2.598 1.00 1.59 N ATOM 0 H LYS B 62 18.689 11.916 -4.001 1.00 1.08 H new ATOM 0 HA LYS B 62 21.438 11.309 -3.088 1.00 1.02 H new ATOM 0 HB2 LYS B 62 19.697 11.772 -1.351 1.00 0.92 H new ATOM 0 HB3 LYS B 62 18.736 10.450 -1.984 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.387 8.816 -1.329 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.568 10.059 -0.962 1.00 0.90 H new ATOM 0 HD2 LYS B 62 18.923 9.677 0.503 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.481 9.119 1.081 1.00 0.94 H new ATOM 0 HE2 LYS B 62 21.225 11.621 0.799 1.00 1.30 H new ATOM 0 HE3 LYS B 62 19.508 11.967 0.748 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 20.374 12.154 2.984 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 19.253 10.880 2.900 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 20.917 10.546 2.950 1.00 1.59 H new ATOM 1448 N GLU B 63 21.550 9.003 -4.002 1.00 1.03 N ATOM 1449 CA GLU B 63 21.686 7.732 -4.698 1.00 1.06 C ATOM 1450 C GLU B 63 21.334 6.571 -3.773 1.00 0.95 C ATOM 1451 O GLU B 63 21.945 6.395 -2.719 1.00 0.93 O ATOM 1452 CB GLU B 63 23.115 7.550 -5.225 1.00 1.22 C ATOM 1453 CG GLU B 63 23.506 8.541 -6.310 1.00 1.48 C ATOM 1454 CD GLU B 63 24.905 8.298 -6.843 1.00 1.64 C ATOM 1455 OE1 GLU B 63 25.063 7.460 -7.755 1.00 2.14 O ATOM 1456 OE2 GLU B 63 25.857 8.948 -6.355 1.00 1.90 O ATOM 0 H GLU B 63 22.398 9.318 -3.532 1.00 1.03 H new ATOM 0 HA GLU B 63 20.995 7.739 -5.541 1.00 1.06 H new ATOM 0 HB2 GLU B 63 23.813 7.644 -4.393 1.00 1.22 H new ATOM 0 HB3 GLU B 63 23.221 6.538 -5.616 1.00 1.22 H new ATOM 0 HG2 GLU B 63 22.792 8.476 -7.131 1.00 1.48 H new ATOM 0 HG3 GLU B 63 23.443 9.554 -5.912 1.00 1.48 H new ATOM 1463 N PHE B 64 20.344 5.790 -4.168 1.00 0.93 N ATOM 1464 CA PHE B 64 19.926 4.640 -3.386 1.00 0.85 C ATOM 1465 C PHE B 64 19.860 3.402 -4.268 1.00 0.91 C ATOM 1466 O PHE B 64 19.972 3.501 -5.491 1.00 1.02 O ATOM 1467 CB PHE B 64 18.573 4.900 -2.723 1.00 0.74 C ATOM 1468 CG PHE B 64 18.646 4.915 -1.223 1.00 0.71 C ATOM 1469 CD1 PHE B 64 18.911 6.091 -0.541 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.452 3.751 -0.497 1.00 0.65 C ATOM 1471 CE1 PHE B 64 18.982 6.107 0.838 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.521 3.761 0.884 1.00 0.68 C ATOM 1473 CZ PHE B 64 18.785 4.939 1.553 1.00 0.77 C ATOM 0 H PHE B 64 19.814 5.932 -5.028 1.00 0.93 H new ATOM 0 HA PHE B 64 20.662 4.470 -2.600 1.00 0.85 H new ATOM 0 HB2 PHE B 64 18.182 5.856 -3.071 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.867 4.132 -3.039 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.064 7.006 -1.094 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.245 2.826 -1.015 1.00 0.65 H new ATOM 0 HE1 PHE B 64 19.191 7.030 1.358 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.368 2.847 1.439 1.00 0.68 H new ATOM 0 HZ PHE B 64 18.838 4.949 2.632 1.00 0.77 H new ATOM 1483 N ASP B 65 19.692 2.242 -3.647 1.00 0.87 N ATOM 1484 CA ASP B 65 19.622 0.983 -4.384 1.00 0.94 C ATOM 1485 C ASP B 65 18.334 0.905 -5.184 1.00 1.03 C ATOM 1486 O ASP B 65 18.343 1.012 -6.409 1.00 1.18 O ATOM 1487 CB ASP B 65 19.707 -0.206 -3.428 1.00 0.88 C ATOM 1488 CG ASP B 65 21.086 -0.374 -2.834 1.00 0.84 C ATOM 1489 OD1 ASP B 65 22.027 -0.689 -3.588 1.00 1.13 O ATOM 1490 OD2 ASP B 65 21.238 -0.189 -1.610 1.00 1.39 O ATOM 0 H ASP B 65 19.602 2.145 -2.636 1.00 0.87 H new ATOM 0 HA ASP B 65 20.468 0.946 -5.070 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.982 -0.074 -2.624 1.00 0.88 H new ATOM 0 HB3 ASP B 65 19.431 -1.116 -3.960 1.00 0.88 H new ATOM 1495 N TYR B 66 17.227 0.725 -4.484 1.00 0.99 N ATOM 1496 CA TYR B 66 15.929 0.638 -5.127 1.00 1.12 C ATOM 1497 C TYR B 66 14.971 1.625 -4.484 1.00 0.95 C ATOM 1498 O TYR B 66 15.029 1.861 -3.278 1.00 0.88 O ATOM 1499 CB TYR B 66 15.365 -0.782 -5.024 1.00 1.31 C ATOM 1500 CG TYR B 66 16.197 -1.828 -5.736 1.00 1.57 C ATOM 1501 CD1 TYR B 66 16.132 -1.977 -7.116 1.00 1.79 C ATOM 1502 CD2 TYR B 66 17.044 -2.669 -5.024 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.891 -2.932 -7.765 1.00 2.05 C ATOM 1504 CE2 TYR B 66 17.806 -3.625 -5.667 1.00 1.89 C ATOM 1505 CZ TYR B 66 17.725 -3.753 -7.037 1.00 2.08 C ATOM 1506 OH TYR B 66 18.483 -4.706 -7.684 1.00 2.34 O ATOM 0 H TYR B 66 17.202 0.636 -3.468 1.00 0.99 H new ATOM 0 HA TYR B 66 16.047 0.884 -6.182 1.00 1.12 H new ATOM 0 HB2 TYR B 66 15.282 -1.053 -3.972 1.00 1.31 H new ATOM 0 HB3 TYR B 66 14.356 -0.792 -5.437 1.00 1.31 H new ATOM 0 HD1 TYR B 66 15.478 -1.337 -7.690 1.00 1.79 H new ATOM 0 HD2 TYR B 66 17.107 -2.573 -3.950 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.831 -3.035 -8.838 1.00 2.05 H new ATOM 0 HE2 TYR B 66 18.462 -4.269 -5.099 1.00 1.89 H new ATOM 0 HH TYR B 66 19.017 -5.200 -7.028 1.00 2.34 H new ATOM 1516 N VAL B 67 14.092 2.201 -5.285 1.00 0.97 N ATOM 1517 CA VAL B 67 13.125 3.160 -4.775 1.00 0.85 C ATOM 1518 C VAL B 67 11.725 2.840 -5.273 1.00 0.86 C ATOM 1519 O VAL B 67 11.512 2.614 -6.467 1.00 1.09 O ATOM 1520 CB VAL B 67 13.486 4.611 -5.165 1.00 0.87 C ATOM 1521 CG1 VAL B 67 14.563 5.163 -4.243 1.00 0.85 C ATOM 1522 CG2 VAL B 67 13.931 4.688 -6.615 1.00 1.05 C ATOM 0 H VAL B 67 14.027 2.023 -6.287 1.00 0.97 H new ATOM 0 HA VAL B 67 13.151 3.079 -3.688 1.00 0.85 H new ATOM 0 HB VAL B 67 12.591 5.224 -5.053 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.803 6.186 -4.535 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.201 5.154 -3.215 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.458 4.545 -4.318 1.00 0.85 H new ATOM 0 HG21 VAL B 67 14.179 5.719 -6.865 1.00 1.05 H new ATOM 0 HG22 VAL B 67 14.808 4.058 -6.760 1.00 1.05 H new ATOM 0 HG23 VAL B 67 13.125 4.342 -7.262 1.00 1.05 H new ATOM 1532 N PHE B 68 10.777 2.803 -4.354 1.00 0.75 N ATOM 1533 CA PHE B 68 9.398 2.510 -4.701 1.00 0.79 C ATOM 1534 C PHE B 68 8.596 3.801 -4.787 1.00 0.81 C ATOM 1535 O PHE B 68 8.621 4.619 -3.865 1.00 0.77 O ATOM 1536 CB PHE B 68 8.777 1.557 -3.672 1.00 0.78 C ATOM 1537 CG PHE B 68 7.305 1.312 -3.876 1.00 1.42 C ATOM 1538 CD1 PHE B 68 6.827 0.836 -5.087 1.00 1.76 C ATOM 1539 CD2 PHE B 68 6.401 1.560 -2.854 1.00 2.40 C ATOM 1540 CE1 PHE B 68 5.477 0.612 -5.276 1.00 2.77 C ATOM 1541 CE2 PHE B 68 5.048 1.337 -3.037 1.00 3.40 C ATOM 1542 CZ PHE B 68 4.585 0.863 -4.250 1.00 3.53 C ATOM 0 H PHE B 68 10.937 2.972 -3.361 1.00 0.75 H new ATOM 0 HA PHE B 68 9.377 2.021 -5.675 1.00 0.79 H new ATOM 0 HB2 PHE B 68 9.303 0.603 -3.712 1.00 0.78 H new ATOM 0 HB3 PHE B 68 8.932 1.965 -2.673 1.00 0.78 H new ATOM 0 HD1 PHE B 68 7.518 0.638 -5.893 1.00 1.76 H new ATOM 0 HD2 PHE B 68 6.757 1.931 -1.905 1.00 2.40 H new ATOM 0 HE1 PHE B 68 5.119 0.241 -6.225 1.00 2.77 H new ATOM 0 HE2 PHE B 68 4.354 1.533 -2.233 1.00 3.40 H new ATOM 0 HZ PHE B 68 3.529 0.689 -4.396 1.00 3.53 H new ATOM 1552 N SER B 69 7.910 3.990 -5.902 1.00 0.93 N ATOM 1553 CA SER B 69 7.098 5.172 -6.112 1.00 0.99 C ATOM 1554 C SER B 69 5.775 5.060 -5.358 1.00 1.07 C ATOM 1555 O SER B 69 4.836 4.399 -5.811 1.00 1.23 O ATOM 1556 CB SER B 69 6.849 5.358 -7.604 1.00 1.13 C ATOM 1557 OG SER B 69 7.401 4.272 -8.338 1.00 1.37 O ATOM 0 H SER B 69 7.901 3.332 -6.681 1.00 0.93 H new ATOM 0 HA SER B 69 7.630 6.041 -5.726 1.00 0.99 H new ATOM 0 HB2 SER B 69 5.778 5.427 -7.795 1.00 1.13 H new ATOM 0 HB3 SER B 69 7.293 6.295 -7.939 1.00 1.13 H new ATOM 0 HG SER B 69 7.232 4.404 -9.294 1.00 1.37 H new ATOM 1563 N ILE B 70 5.715 5.695 -4.200 1.00 1.01 N ATOM 1564 CA ILE B 70 4.518 5.672 -3.384 1.00 1.12 C ATOM 1565 C ILE B 70 3.568 6.772 -3.835 1.00 1.08 C ATOM 1566 O ILE B 70 3.649 7.915 -3.376 1.00 1.10 O ATOM 1567 CB ILE B 70 4.839 5.851 -1.888 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.935 4.872 -1.463 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.585 5.642 -1.050 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.422 5.087 -0.049 1.00 1.62 C ATOM 0 H ILE B 70 6.485 6.234 -3.805 1.00 1.01 H new ATOM 0 HA ILE B 70 4.050 4.696 -3.511 1.00 1.12 H new ATOM 0 HB ILE B 70 5.198 6.867 -1.725 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.558 3.854 -1.558 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.779 4.964 -2.147 1.00 1.41 H new ATOM 0 HG21 ILE B 70 3.827 5.771 0.005 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.828 6.370 -1.341 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.202 4.635 -1.213 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.198 4.358 0.183 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.830 6.093 0.046 1.00 1.62 H new ATOM 0 HD13 ILE B 70 5.590 4.965 0.645 1.00 1.62 H new ATOM 1582 N ASP B 71 2.692 6.427 -4.761 1.00 1.20 N ATOM 1583 CA ASP B 71 1.732 7.377 -5.290 1.00 1.30 C ATOM 1584 C ASP B 71 0.466 7.398 -4.449 1.00 1.30 C ATOM 1585 O ASP B 71 -0.185 6.365 -4.247 1.00 1.46 O ATOM 1586 CB ASP B 71 1.390 7.035 -6.736 1.00 1.55 C ATOM 1587 CG ASP B 71 0.508 8.083 -7.370 1.00 1.54 C ATOM 1588 OD1 ASP B 71 0.971 9.231 -7.527 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -0.651 7.758 -7.706 1.00 1.95 O ATOM 0 H ASP B 71 2.626 5.492 -5.163 1.00 1.20 H new ATOM 0 HA ASP B 71 2.185 8.368 -5.255 1.00 1.30 H new ATOM 0 HB2 ASP B 71 2.310 6.937 -7.313 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.888 6.068 -6.771 1.00 1.55 H new ATOM 1594 N VAL B 72 0.132 8.572 -3.941 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.056 8.738 -3.118 1.00 1.39 C ATOM 1596 C VAL B 72 -2.127 9.543 -3.847 1.00 1.60 C ATOM 1597 O VAL B 72 -3.279 9.588 -3.417 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.728 9.425 -1.775 1.00 1.41 C ATOM 1599 CG1 VAL B 72 0.059 8.485 -0.876 1.00 1.50 C ATOM 1600 CG2 VAL B 72 0.038 10.723 -1.998 1.00 1.98 C ATOM 0 H VAL B 72 0.668 9.428 -4.084 1.00 1.31 H new ATOM 0 HA VAL B 72 -1.437 7.737 -2.915 1.00 1.39 H new ATOM 0 HB VAL B 72 -1.668 9.671 -1.281 1.00 1.41 H new ATOM 0 HG11 VAL B 72 0.282 8.985 0.067 1.00 1.50 H new ATOM 0 HG12 VAL B 72 -0.531 7.589 -0.681 1.00 1.50 H new ATOM 0 HG13 VAL B 72 0.991 8.206 -1.368 1.00 1.50 H new ATOM 0 HG21 VAL B 72 0.256 11.187 -1.036 1.00 1.98 H new ATOM 0 HG22 VAL B 72 0.972 10.510 -2.518 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -0.565 11.403 -2.600 1.00 1.98 H new ATOM 1610 N ASN B 73 -1.741 10.164 -4.954 1.00 1.74 N ATOM 1611 CA ASN B 73 -2.664 10.969 -5.747 1.00 2.04 C ATOM 1612 C ASN B 73 -2.176 11.053 -7.181 1.00 2.10 C ATOM 1613 O ASN B 73 -1.012 11.371 -7.428 1.00 2.56 O ATOM 1614 CB ASN B 73 -2.812 12.379 -5.159 1.00 2.45 C ATOM 1615 CG ASN B 73 -3.668 13.292 -6.028 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -4.887 13.145 -6.093 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -3.036 14.249 -6.689 1.00 3.55 N ATOM 0 H ASN B 73 -0.792 10.126 -5.325 1.00 1.74 H new ATOM 0 HA ASN B 73 -3.642 10.488 -5.726 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -3.255 12.309 -4.166 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -1.824 12.823 -5.036 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -3.562 14.896 -7.277 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -2.023 14.340 -6.610 1.00 3.55 H new ATOM 1624 N GLU B 74 -3.072 10.764 -8.116 1.00 2.11 N ATOM 1625 CA GLU B 74 -2.749 10.792 -9.538 1.00 2.37 C ATOM 1626 C GLU B 74 -2.198 12.154 -9.951 1.00 2.06 C ATOM 1627 O GLU B 74 -2.942 13.133 -10.042 1.00 2.44 O ATOM 1628 CB GLU B 74 -3.986 10.469 -10.383 1.00 3.12 C ATOM 1629 CG GLU B 74 -4.892 9.402 -9.789 1.00 3.50 C ATOM 1630 CD GLU B 74 -4.150 8.128 -9.452 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -3.416 7.610 -10.320 1.00 4.76 O ATOM 1632 OE2 GLU B 74 -4.290 7.638 -8.316 1.00 4.70 O ATOM 0 H GLU B 74 -4.037 10.505 -7.913 1.00 2.11 H new ATOM 0 HA GLU B 74 -1.985 10.034 -9.713 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -4.564 11.382 -10.523 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -3.661 10.143 -11.371 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -5.363 9.792 -8.887 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -5.692 9.176 -10.495 1.00 3.50 H new ATOM 1639 N GLY B 75 -0.898 12.214 -10.189 1.00 1.96 N ATOM 1640 CA GLY B 75 -0.280 13.460 -10.593 1.00 1.83 C ATOM 1641 C GLY B 75 0.667 14.009 -9.547 1.00 1.79 C ATOM 1642 O GLY B 75 1.323 15.028 -9.768 1.00 2.16 O ATOM 0 H GLY B 75 -0.259 11.423 -10.110 1.00 1.96 H new ATOM 0 HA2 GLY B 75 0.264 13.305 -11.525 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -1.057 14.197 -10.796 1.00 1.83 H new ATOM 1646 N GLY B 76 0.737 13.342 -8.409 1.00 1.70 N ATOM 1647 CA GLY B 76 1.607 13.781 -7.345 1.00 1.72 C ATOM 1648 C GLY B 76 0.802 14.222 -6.133 1.00 1.64 C ATOM 1649 O GLY B 76 -0.400 14.446 -6.242 1.00 1.74 O ATOM 0 H GLY B 76 0.202 12.498 -8.203 1.00 1.70 H new ATOM 0 HA2 GLY B 76 2.281 12.972 -7.064 1.00 1.72 H new ATOM 0 HA3 GLY B 76 2.228 14.606 -7.694 1.00 1.72 H new ATOM 1653 N PRO B 77 1.439 14.386 -4.965 1.00 1.48 N ATOM 1654 CA PRO B 77 2.875 14.175 -4.799 1.00 1.39 C ATOM 1655 C PRO B 77 3.238 12.709 -4.556 1.00 1.29 C ATOM 1656 O PRO B 77 2.969 12.152 -3.489 1.00 1.33 O ATOM 1657 CB PRO B 77 3.201 15.025 -3.572 1.00 1.36 C ATOM 1658 CG PRO B 77 1.948 15.024 -2.753 1.00 1.41 C ATOM 1659 CD PRO B 77 0.796 14.795 -3.703 1.00 1.46 C ATOM 0 HA PRO B 77 3.436 14.447 -5.693 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.038 14.606 -3.013 1.00 1.36 H new ATOM 0 HB3 PRO B 77 3.484 16.038 -3.858 1.00 1.36 H new ATOM 0 HG2 PRO B 77 1.984 14.241 -1.995 1.00 1.41 H new ATOM 0 HG3 PRO B 77 1.831 15.972 -2.227 1.00 1.41 H new ATOM 0 HD2 PRO B 77 0.122 14.023 -3.332 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.203 15.700 -3.834 1.00 1.46 H new ATOM 1667 N SER B 78 3.838 12.091 -5.559 1.00 1.25 N ATOM 1668 CA SER B 78 4.249 10.704 -5.467 1.00 1.17 C ATOM 1669 C SER B 78 5.632 10.628 -4.823 1.00 1.05 C ATOM 1670 O SER B 78 6.631 11.030 -5.423 1.00 1.14 O ATOM 1671 CB SER B 78 4.261 10.068 -6.859 1.00 1.28 C ATOM 1672 OG SER B 78 3.242 10.628 -7.681 1.00 1.47 O ATOM 0 H SER B 78 4.052 12.534 -6.453 1.00 1.25 H new ATOM 0 HA SER B 78 3.542 10.152 -4.848 1.00 1.17 H new ATOM 0 HB2 SER B 78 5.235 10.221 -7.325 1.00 1.28 H new ATOM 0 HB3 SER B 78 4.114 8.991 -6.773 1.00 1.28 H new ATOM 0 HG SER B 78 2.374 10.251 -7.428 1.00 1.47 H new ATOM 1678 N TYR B 79 5.674 10.133 -3.596 1.00 1.02 N ATOM 1679 CA TYR B 79 6.924 10.023 -2.857 1.00 0.93 C ATOM 1680 C TYR B 79 7.729 8.812 -3.309 1.00 0.87 C ATOM 1681 O TYR B 79 7.248 7.979 -4.077 1.00 0.85 O ATOM 1682 CB TYR B 79 6.649 9.935 -1.356 1.00 0.93 C ATOM 1683 CG TYR B 79 5.903 11.128 -0.793 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.435 12.412 -0.874 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.669 10.966 -0.180 1.00 1.06 C ATOM 1686 CE1 TYR B 79 5.754 13.497 -0.357 1.00 1.26 C ATOM 1687 CE2 TYR B 79 3.985 12.048 0.341 1.00 1.15 C ATOM 1688 CZ TYR B 79 4.531 13.309 0.250 1.00 1.22 C ATOM 1689 OH TYR B 79 3.853 14.388 0.770 1.00 1.35 O ATOM 0 H TYR B 79 4.854 9.800 -3.089 1.00 1.02 H new ATOM 0 HA TYR B 79 7.511 10.918 -3.062 1.00 0.93 H new ATOM 0 HB2 TYR B 79 6.073 9.032 -1.155 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.598 9.831 -0.829 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.394 12.562 -1.348 1.00 1.15 H new ATOM 0 HD2 TYR B 79 4.236 9.979 -0.109 1.00 1.06 H new ATOM 0 HE1 TYR B 79 6.178 14.488 -0.428 1.00 1.26 H new ATOM 0 HE2 TYR B 79 3.026 11.905 0.817 1.00 1.15 H new ATOM 0 HH TYR B 79 3.007 14.085 1.162 1.00 1.35 H new ATOM 1699 N LYS B 80 8.960 8.718 -2.829 1.00 0.87 N ATOM 1700 CA LYS B 80 9.836 7.615 -3.185 1.00 0.83 C ATOM 1701 C LYS B 80 10.428 6.978 -1.938 1.00 0.77 C ATOM 1702 O LYS B 80 11.043 7.658 -1.117 1.00 0.81 O ATOM 1703 CB LYS B 80 10.956 8.104 -4.108 1.00 0.87 C ATOM 1704 CG LYS B 80 10.462 8.589 -5.462 1.00 0.99 C ATOM 1705 CD LYS B 80 10.089 7.428 -6.365 1.00 1.08 C ATOM 1706 CE LYS B 80 11.269 6.969 -7.205 1.00 1.41 C ATOM 1707 NZ LYS B 80 11.256 7.579 -8.561 1.00 2.14 N ATOM 0 H LYS B 80 9.375 9.396 -2.190 1.00 0.87 H new ATOM 0 HA LYS B 80 9.247 6.864 -3.712 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.493 8.914 -3.615 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.670 7.294 -4.260 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.596 9.237 -5.324 1.00 0.99 H new ATOM 0 HG3 LYS B 80 11.237 9.189 -5.940 1.00 0.99 H new ATOM 0 HD2 LYS B 80 9.728 6.597 -5.759 1.00 1.08 H new ATOM 0 HD3 LYS B 80 9.270 7.725 -7.020 1.00 1.08 H new ATOM 0 HE2 LYS B 80 12.198 7.230 -6.699 1.00 1.41 H new ATOM 0 HE3 LYS B 80 11.249 5.883 -7.295 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 12.077 7.240 -9.102 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 10.381 7.309 -9.055 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 11.301 8.615 -8.476 1.00 2.14 H new ATOM 1721 N LEU B 81 10.231 5.676 -1.800 1.00 0.70 N ATOM 1722 CA LEU B 81 10.751 4.936 -0.658 1.00 0.67 C ATOM 1723 C LEU B 81 12.160 4.429 -0.951 1.00 0.63 C ATOM 1724 O LEU B 81 12.359 3.644 -1.878 1.00 0.60 O ATOM 1725 CB LEU B 81 9.831 3.757 -0.328 1.00 0.66 C ATOM 1726 CG LEU B 81 10.394 2.750 0.678 1.00 0.75 C ATOM 1727 CD1 LEU B 81 9.661 2.852 2.008 1.00 0.87 C ATOM 1728 CD2 LEU B 81 10.305 1.338 0.121 1.00 1.13 C ATOM 0 H LEU B 81 9.712 5.106 -2.468 1.00 0.70 H new ATOM 0 HA LEU B 81 10.790 5.607 0.200 1.00 0.67 H new ATOM 0 HB2 LEU B 81 8.891 4.149 0.062 1.00 0.66 H new ATOM 0 HB3 LEU B 81 9.597 3.230 -1.253 1.00 0.66 H new ATOM 0 HG LEU B 81 11.444 2.986 0.851 1.00 0.75 H new ATOM 0 HD11 LEU B 81 10.076 2.128 2.709 1.00 0.87 H new ATOM 0 HD12 LEU B 81 9.779 3.857 2.412 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.602 2.644 1.857 1.00 0.87 H new ATOM 0 HD21 LEU B 81 10.709 0.634 0.848 1.00 1.13 H new ATOM 0 HD22 LEU B 81 9.263 1.092 -0.082 1.00 1.13 H new ATOM 0 HD23 LEU B 81 10.879 1.275 -0.803 1.00 1.13 H new ATOM 1740 N PRO B 82 13.151 4.882 -0.175 1.00 0.68 N ATOM 1741 CA PRO B 82 14.540 4.471 -0.355 1.00 0.70 C ATOM 1742 C PRO B 82 14.857 3.130 0.312 1.00 0.69 C ATOM 1743 O PRO B 82 14.980 3.042 1.533 1.00 0.73 O ATOM 1744 CB PRO B 82 15.315 5.604 0.314 1.00 0.77 C ATOM 1745 CG PRO B 82 14.409 6.113 1.388 1.00 0.78 C ATOM 1746 CD PRO B 82 12.997 5.842 0.934 1.00 0.77 C ATOM 0 HA PRO B 82 14.789 4.316 -1.405 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.257 5.246 0.730 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.560 6.390 -0.400 1.00 0.77 H new ATOM 0 HG2 PRO B 82 14.613 5.613 2.335 1.00 0.78 H new ATOM 0 HG3 PRO B 82 14.564 7.179 1.551 1.00 0.78 H new ATOM 0 HD2 PRO B 82 12.393 5.426 1.740 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.503 6.756 0.604 1.00 0.77 H new ATOM 1754 N TYR B 83 14.986 2.089 -0.500 1.00 0.69 N ATOM 1755 CA TYR B 83 15.296 0.759 0.004 1.00 0.70 C ATOM 1756 C TYR B 83 16.753 0.413 -0.282 1.00 0.74 C ATOM 1757 O TYR B 83 17.217 0.530 -1.417 1.00 0.78 O ATOM 1758 CB TYR B 83 14.358 -0.278 -0.630 1.00 0.75 C ATOM 1759 CG TYR B 83 14.758 -1.722 -0.389 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.771 -2.265 0.894 1.00 0.82 C ATOM 1761 CD2 TYR B 83 15.113 -2.545 -1.449 1.00 0.87 C ATOM 1762 CE1 TYR B 83 15.130 -3.585 1.105 1.00 0.89 C ATOM 1763 CE2 TYR B 83 15.472 -3.863 -1.245 1.00 0.93 C ATOM 1764 CZ TYR B 83 15.480 -4.379 0.031 1.00 0.94 C ATOM 1765 OH TYR B 83 15.839 -5.695 0.227 1.00 1.02 O ATOM 0 H TYR B 83 14.880 2.141 -1.513 1.00 0.69 H new ATOM 0 HA TYR B 83 15.146 0.746 1.084 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.351 -0.124 -0.241 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.315 -0.101 -1.705 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.497 -1.647 1.736 1.00 0.82 H new ATOM 0 HD2 TYR B 83 15.108 -2.147 -2.453 1.00 0.87 H new ATOM 0 HE1 TYR B 83 15.136 -3.992 2.105 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.745 -4.486 -2.084 1.00 0.93 H new ATOM 0 HH TYR B 83 15.247 -6.100 0.895 1.00 1.02 H new ATOM 1775 N ASN B 84 17.471 0.006 0.754 1.00 0.76 N ATOM 1776 CA ASN B 84 18.876 -0.357 0.618 1.00 0.84 C ATOM 1777 C ASN B 84 19.026 -1.861 0.403 1.00 0.93 C ATOM 1778 O ASN B 84 18.147 -2.634 0.780 1.00 0.95 O ATOM 1779 CB ASN B 84 19.688 0.099 1.846 1.00 0.86 C ATOM 1780 CG ASN B 84 19.058 -0.252 3.195 1.00 1.63 C ATOM 1781 OD1 ASN B 84 19.247 0.468 4.176 1.00 2.01 O ATOM 1782 ND2 ASN B 84 18.311 -1.347 3.264 1.00 2.53 N ATOM 0 H ASN B 84 17.104 -0.082 1.701 1.00 0.76 H new ATOM 0 HA ASN B 84 19.272 0.157 -0.258 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.680 -0.350 1.796 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.824 1.179 1.794 1.00 0.86 H new ATOM 0 HD21 ASN B 84 17.875 -1.612 4.147 1.00 2.53 H new ATOM 0 HD22 ASN B 84 18.173 -1.923 2.434 1.00 2.53 H new ATOM 1789 N THR B 85 20.143 -2.271 -0.186 1.00 1.07 N ATOM 1790 CA THR B 85 20.411 -3.684 -0.461 1.00 1.20 C ATOM 1791 C THR B 85 20.684 -4.486 0.816 1.00 1.16 C ATOM 1792 O THR B 85 21.018 -5.665 0.753 1.00 1.39 O ATOM 1793 CB THR B 85 21.610 -3.849 -1.417 1.00 1.34 C ATOM 1794 OG1 THR B 85 22.491 -2.719 -1.312 1.00 1.53 O ATOM 1795 CG2 THR B 85 21.136 -4.001 -2.855 1.00 1.79 C ATOM 0 H THR B 85 20.887 -1.641 -0.486 1.00 1.07 H new ATOM 0 HA THR B 85 19.508 -4.075 -0.930 1.00 1.20 H new ATOM 0 HB THR B 85 22.151 -4.751 -1.131 1.00 1.34 H new ATOM 0 HG1 THR B 85 23.248 -2.837 -1.923 1.00 1.53 H new ATOM 0 HG21 THR B 85 21.998 -4.116 -3.512 1.00 1.79 H new ATOM 0 HG22 THR B 85 20.498 -4.881 -2.937 1.00 1.79 H new ATOM 0 HG23 THR B 85 20.572 -3.115 -3.148 1.00 1.79 H new ATOM 1803 N SER B 86 20.539 -3.846 1.968 1.00 1.23 N ATOM 1804 CA SER B 86 20.766 -4.507 3.247 1.00 1.24 C ATOM 1805 C SER B 86 19.586 -5.408 3.616 1.00 1.22 C ATOM 1806 O SER B 86 19.704 -6.282 4.478 1.00 1.43 O ATOM 1807 CB SER B 86 20.992 -3.448 4.317 1.00 1.53 C ATOM 1808 OG SER B 86 21.838 -2.423 3.818 1.00 1.95 O ATOM 0 H SER B 86 20.264 -2.867 2.044 1.00 1.23 H new ATOM 0 HA SER B 86 21.649 -5.142 3.172 1.00 1.24 H new ATOM 0 HB2 SER B 86 20.037 -3.023 4.627 1.00 1.53 H new ATOM 0 HB3 SER B 86 21.440 -3.902 5.200 1.00 1.53 H new ATOM 0 HG SER B 86 21.976 -1.746 4.513 1.00 1.95 H new ATOM 1814 N ASP B 87 18.461 -5.178 2.942 1.00 1.20 N ATOM 1815 CA ASP B 87 17.227 -5.939 3.145 1.00 1.43 C ATOM 1816 C ASP B 87 16.713 -5.836 4.577 1.00 1.19 C ATOM 1817 O ASP B 87 17.106 -6.604 5.457 1.00 1.33 O ATOM 1818 CB ASP B 87 17.398 -7.407 2.754 1.00 1.99 C ATOM 1819 CG ASP B 87 16.071 -8.143 2.741 1.00 2.54 C ATOM 1820 OD1 ASP B 87 15.184 -7.766 1.943 1.00 2.97 O ATOM 1821 OD2 ASP B 87 15.905 -9.099 3.530 1.00 2.92 O ATOM 0 H ASP B 87 18.378 -4.451 2.232 1.00 1.20 H new ATOM 0 HA ASP B 87 16.482 -5.489 2.488 1.00 1.43 H new ATOM 0 HB2 ASP B 87 17.858 -7.470 1.768 1.00 1.99 H new ATOM 0 HB3 ASP B 87 18.077 -7.893 3.454 1.00 1.99 H new ATOM 1826 N ASP B 88 15.833 -4.873 4.797 1.00 1.18 N ATOM 1827 CA ASP B 88 15.230 -4.653 6.101 1.00 1.09 C ATOM 1828 C ASP B 88 13.846 -4.041 5.922 1.00 0.98 C ATOM 1829 O ASP B 88 13.647 -2.856 6.164 1.00 0.95 O ATOM 1830 CB ASP B 88 16.117 -3.756 6.980 1.00 1.31 C ATOM 1831 CG ASP B 88 16.739 -2.590 6.226 1.00 1.86 C ATOM 1832 OD1 ASP B 88 17.797 -2.790 5.588 1.00 2.55 O ATOM 1833 OD2 ASP B 88 16.182 -1.472 6.274 1.00 2.12 O ATOM 0 H ASP B 88 15.517 -4.223 4.078 1.00 1.18 H new ATOM 0 HA ASP B 88 15.134 -5.612 6.610 1.00 1.09 H new ATOM 0 HB2 ASP B 88 15.521 -3.368 7.806 1.00 1.31 H new ATOM 0 HB3 ASP B 88 16.912 -4.361 7.417 1.00 1.31 H new ATOM 1838 N PRO B 89 12.867 -4.863 5.505 1.00 0.95 N ATOM 1839 CA PRO B 89 11.489 -4.418 5.250 1.00 0.90 C ATOM 1840 C PRO B 89 10.913 -3.533 6.350 1.00 0.89 C ATOM 1841 O PRO B 89 10.439 -2.432 6.082 1.00 0.85 O ATOM 1842 CB PRO B 89 10.710 -5.727 5.165 1.00 0.96 C ATOM 1843 CG PRO B 89 11.702 -6.723 4.676 1.00 0.79 C ATOM 1844 CD PRO B 89 13.024 -6.312 5.261 1.00 1.00 C ATOM 0 HA PRO B 89 11.437 -3.799 4.354 1.00 0.90 H new ATOM 0 HB2 PRO B 89 10.308 -6.013 6.137 1.00 0.96 H new ATOM 0 HB3 PRO B 89 9.864 -5.642 4.482 1.00 0.96 H new ATOM 0 HG2 PRO B 89 11.432 -7.731 4.992 1.00 0.79 H new ATOM 0 HG3 PRO B 89 11.743 -6.731 3.587 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.238 -6.852 6.183 1.00 1.00 H new ATOM 0 HD3 PRO B 89 13.846 -6.515 4.574 1.00 1.00 H new ATOM 1852 N TRP B 90 10.964 -4.018 7.581 1.00 0.97 N ATOM 1853 CA TRP B 90 10.428 -3.282 8.719 1.00 1.01 C ATOM 1854 C TRP B 90 11.166 -1.961 8.944 1.00 0.99 C ATOM 1855 O TRP B 90 10.540 -0.928 9.167 1.00 0.96 O ATOM 1856 CB TRP B 90 10.498 -4.146 9.981 1.00 1.13 C ATOM 1857 CG TRP B 90 9.590 -5.344 9.937 1.00 1.32 C ATOM 1858 CD1 TRP B 90 8.285 -5.402 10.344 1.00 1.47 C ATOM 1859 CD2 TRP B 90 9.919 -6.657 9.459 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.790 -6.672 10.159 1.00 2.14 N ATOM 1861 CE2 TRP B 90 8.769 -7.457 9.608 1.00 2.56 C ATOM 1862 CE3 TRP B 90 11.075 -7.234 8.915 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 8.743 -8.799 9.239 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 11.044 -8.566 8.546 1.00 3.79 C ATOM 1865 CH2 TRP B 90 9.885 -9.337 8.707 1.00 4.06 C ATOM 0 H TRP B 90 11.373 -4.922 7.820 1.00 0.97 H new ATOM 0 HA TRP B 90 9.388 -3.043 8.498 1.00 1.01 H new ATOM 0 HB2 TRP B 90 11.525 -4.483 10.125 1.00 1.13 H new ATOM 0 HB3 TRP B 90 10.239 -3.535 10.845 1.00 1.13 H new ATOM 0 HD1 TRP B 90 7.726 -4.572 10.751 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.846 -6.980 10.394 1.00 2.14 H new ATOM 0 HE3 TRP B 90 11.973 -6.649 8.786 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 7.852 -9.396 9.368 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 11.929 -9.021 8.126 1.00 3.79 H new ATOM 0 HH2 TRP B 90 9.892 -10.374 8.406 1.00 4.06 H new ATOM 1876 N LEU B 91 12.492 -1.993 8.864 1.00 1.03 N ATOM 1877 CA LEU B 91 13.295 -0.793 9.086 1.00 1.05 C ATOM 1878 C LEU B 91 13.131 0.205 7.944 1.00 0.97 C ATOM 1879 O LEU B 91 12.895 1.387 8.184 1.00 0.99 O ATOM 1880 CB LEU B 91 14.771 -1.157 9.261 1.00 1.14 C ATOM 1881 CG LEU B 91 15.073 -2.127 10.406 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.554 -2.466 10.449 1.00 1.39 C ATOM 1883 CD2 LEU B 91 14.622 -1.536 11.733 1.00 1.43 C ATOM 0 H LEU B 91 13.032 -2.831 8.648 1.00 1.03 H new ATOM 0 HA LEU B 91 12.937 -0.321 10.001 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.133 -1.595 8.331 1.00 1.14 H new ATOM 0 HB3 LEU B 91 15.338 -0.240 9.424 1.00 1.14 H new ATOM 0 HG LEU B 91 14.519 -3.049 10.230 1.00 1.32 H new ATOM 0 HD11 LEU B 91 16.745 -3.157 11.270 1.00 1.39 H new ATOM 0 HD12 LEU B 91 16.848 -2.931 9.508 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.132 -1.554 10.600 1.00 1.39 H new ATOM 0 HD21 LEU B 91 14.843 -2.237 12.538 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.150 -0.599 11.912 1.00 1.43 H new ATOM 0 HD23 LEU B 91 13.549 -1.347 11.701 1.00 1.43 H new ATOM 1895 N THR B 92 13.254 -0.270 6.711 1.00 0.92 N ATOM 1896 CA THR B 92 13.112 0.590 5.542 1.00 0.88 C ATOM 1897 C THR B 92 11.746 1.279 5.541 1.00 0.81 C ATOM 1898 O THR B 92 11.640 2.482 5.289 1.00 0.82 O ATOM 1899 CB THR B 92 13.275 -0.207 4.231 1.00 0.92 C ATOM 1900 OG1 THR B 92 14.503 -0.953 4.236 1.00 0.97 O ATOM 1901 CG2 THR B 92 13.250 0.721 3.025 1.00 1.06 C ATOM 0 H THR B 92 13.452 -1.247 6.494 1.00 0.92 H new ATOM 0 HA THR B 92 13.901 1.340 5.598 1.00 0.88 H new ATOM 0 HB THR B 92 12.437 -0.901 4.162 1.00 0.92 H new ATOM 0 HG1 THR B 92 14.944 -0.851 5.105 1.00 0.97 H new ATOM 0 HG21 THR B 92 13.367 0.136 2.113 1.00 1.06 H new ATOM 0 HG22 THR B 92 12.299 1.253 2.995 1.00 1.06 H new ATOM 0 HG23 THR B 92 14.066 1.440 3.102 1.00 1.06 H new ATOM 1909 N ALA B 93 10.706 0.510 5.848 1.00 0.79 N ATOM 1910 CA ALA B 93 9.349 1.037 5.889 1.00 0.79 C ATOM 1911 C ALA B 93 9.209 2.094 6.976 1.00 0.84 C ATOM 1912 O ALA B 93 8.721 3.197 6.722 1.00 0.84 O ATOM 1913 CB ALA B 93 8.356 -0.092 6.116 1.00 0.82 C ATOM 0 H ALA B 93 10.779 -0.482 6.072 1.00 0.79 H new ATOM 0 HA ALA B 93 9.134 1.508 4.930 1.00 0.79 H new ATOM 0 HB1 ALA B 93 7.345 0.313 6.145 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.434 -0.814 5.303 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.576 -0.585 7.063 1.00 0.82 H new ATOM 1919 N TYR B 94 9.657 1.757 8.185 1.00 0.93 N ATOM 1920 CA TYR B 94 9.582 2.672 9.315 1.00 1.04 C ATOM 1921 C TYR B 94 10.427 3.917 9.064 1.00 1.05 C ATOM 1922 O TYR B 94 10.083 5.010 9.511 1.00 1.10 O ATOM 1923 CB TYR B 94 10.032 1.977 10.604 1.00 1.17 C ATOM 1924 CG TYR B 94 9.576 2.687 11.858 1.00 1.28 C ATOM 1925 CD1 TYR B 94 8.224 2.883 12.110 1.00 1.35 C ATOM 1926 CD2 TYR B 94 10.492 3.168 12.783 1.00 1.44 C ATOM 1927 CE1 TYR B 94 7.798 3.537 13.249 1.00 1.50 C ATOM 1928 CE2 TYR B 94 10.072 3.824 13.927 1.00 1.57 C ATOM 1929 CZ TYR B 94 8.724 4.005 14.154 1.00 1.57 C ATOM 1930 OH TYR B 94 8.298 4.665 15.285 1.00 1.76 O ATOM 0 H TYR B 94 10.076 0.853 8.404 1.00 0.93 H new ATOM 0 HA TYR B 94 8.543 2.979 9.430 1.00 1.04 H new ATOM 0 HB2 TYR B 94 9.647 0.957 10.612 1.00 1.17 H new ATOM 0 HB3 TYR B 94 11.120 1.907 10.610 1.00 1.17 H new ATOM 0 HD1 TYR B 94 7.494 2.518 11.403 1.00 1.35 H new ATOM 0 HD2 TYR B 94 11.548 3.028 12.607 1.00 1.44 H new ATOM 0 HE1 TYR B 94 6.743 3.681 13.429 1.00 1.50 H new ATOM 0 HE2 TYR B 94 10.796 4.192 14.638 1.00 1.57 H new ATOM 0 HH TYR B 94 9.074 4.930 15.821 1.00 1.76 H new ATOM 1940 N ASN B 95 11.529 3.740 8.339 1.00 1.03 N ATOM 1941 CA ASN B 95 12.428 4.843 8.010 1.00 1.08 C ATOM 1942 C ASN B 95 11.680 5.930 7.248 1.00 1.04 C ATOM 1943 O ASN B 95 11.684 7.092 7.644 1.00 1.12 O ATOM 1944 CB ASN B 95 13.614 4.347 7.175 1.00 1.08 C ATOM 1945 CG ASN B 95 14.855 4.109 8.012 1.00 1.09 C ATOM 1946 OD1 ASN B 95 15.101 4.813 8.991 1.00 1.22 O ATOM 1947 ND2 ASN B 95 15.649 3.120 7.634 1.00 1.47 N ATOM 0 H ASN B 95 11.822 2.837 7.966 1.00 1.03 H new ATOM 0 HA ASN B 95 12.807 5.259 8.943 1.00 1.08 H new ATOM 0 HB2 ASN B 95 13.337 3.421 6.671 1.00 1.08 H new ATOM 0 HB3 ASN B 95 13.838 5.078 6.398 1.00 1.08 H new ATOM 0 HD21 ASN B 95 16.499 2.919 8.160 1.00 1.47 H new ATOM 0 HD22 ASN B 95 15.411 2.559 6.816 1.00 1.47 H new ATOM 1954 N PHE B 96 11.027 5.539 6.161 1.00 0.93 N ATOM 1955 CA PHE B 96 10.271 6.485 5.357 1.00 0.91 C ATOM 1956 C PHE B 96 9.045 6.976 6.119 1.00 0.91 C ATOM 1957 O PHE B 96 8.686 8.154 6.048 1.00 0.92 O ATOM 1958 CB PHE B 96 9.840 5.851 4.033 1.00 0.88 C ATOM 1959 CG PHE B 96 8.990 6.759 3.187 1.00 0.97 C ATOM 1960 CD1 PHE B 96 9.570 7.719 2.376 1.00 1.16 C ATOM 1961 CD2 PHE B 96 7.605 6.656 3.212 1.00 0.99 C ATOM 1962 CE1 PHE B 96 8.790 8.559 1.604 1.00 1.32 C ATOM 1963 CE2 PHE B 96 6.821 7.494 2.445 1.00 1.19 C ATOM 1964 CZ PHE B 96 7.413 8.446 1.640 1.00 1.33 C ATOM 0 H PHE B 96 11.007 4.578 5.819 1.00 0.93 H new ATOM 0 HA PHE B 96 10.918 7.335 5.142 1.00 0.91 H new ATOM 0 HB2 PHE B 96 10.728 5.566 3.469 1.00 0.88 H new ATOM 0 HB3 PHE B 96 9.286 4.935 4.240 1.00 0.88 H new ATOM 0 HD1 PHE B 96 10.646 7.813 2.346 1.00 1.16 H new ATOM 0 HD2 PHE B 96 7.136 5.912 3.839 1.00 0.99 H new ATOM 0 HE1 PHE B 96 9.256 9.302 0.974 1.00 1.32 H new ATOM 0 HE2 PHE B 96 5.745 7.405 2.475 1.00 1.19 H new ATOM 0 HZ PHE B 96 6.801 9.102 1.039 1.00 1.33 H new ATOM 1974 N LEU B 97 8.417 6.065 6.851 1.00 0.93 N ATOM 1975 CA LEU B 97 7.227 6.382 7.628 1.00 1.00 C ATOM 1976 C LEU B 97 7.500 7.494 8.632 1.00 1.09 C ATOM 1977 O LEU B 97 6.651 8.350 8.864 1.00 1.10 O ATOM 1978 CB LEU B 97 6.723 5.142 8.362 1.00 1.06 C ATOM 1979 CG LEU B 97 5.240 4.827 8.163 1.00 1.28 C ATOM 1980 CD1 LEU B 97 4.986 4.310 6.754 1.00 1.30 C ATOM 1981 CD2 LEU B 97 4.764 3.819 9.195 1.00 1.48 C ATOM 0 H LEU B 97 8.716 5.092 6.923 1.00 0.93 H new ATOM 0 HA LEU B 97 6.462 6.726 6.932 1.00 1.00 H new ATOM 0 HB2 LEU B 97 7.308 4.282 8.035 1.00 1.06 H new ATOM 0 HB3 LEU B 97 6.912 5.268 9.428 1.00 1.06 H new ATOM 0 HG LEU B 97 4.674 5.749 8.297 1.00 1.28 H new ATOM 0 HD11 LEU B 97 3.925 4.092 6.632 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.286 5.067 6.029 1.00 1.30 H new ATOM 0 HD13 LEU B 97 5.565 3.401 6.590 1.00 1.30 H new ATOM 0 HD21 LEU B 97 3.706 3.608 9.037 1.00 1.48 H new ATOM 0 HD22 LEU B 97 5.337 2.897 9.094 1.00 1.48 H new ATOM 0 HD23 LEU B 97 4.907 4.228 10.195 1.00 1.48 H new ATOM 1993 N GLN B 98 8.680 7.476 9.229 1.00 1.19 N ATOM 1994 CA GLN B 98 9.045 8.495 10.202 1.00 1.31 C ATOM 1995 C GLN B 98 9.649 9.715 9.519 1.00 1.30 C ATOM 1996 O GLN B 98 9.628 10.815 10.065 1.00 1.39 O ATOM 1997 CB GLN B 98 10.018 7.923 11.233 1.00 1.43 C ATOM 1998 CG GLN B 98 9.361 6.956 12.203 1.00 2.02 C ATOM 1999 CD GLN B 98 8.425 7.653 13.176 1.00 2.69 C ATOM 2000 OE1 GLN B 98 8.829 8.036 14.271 1.00 2.73 O ATOM 2001 NE2 GLN B 98 7.172 7.824 12.781 1.00 3.60 N ATOM 0 H GLN B 98 9.398 6.772 9.059 1.00 1.19 H new ATOM 0 HA GLN B 98 8.137 8.812 10.715 1.00 1.31 H new ATOM 0 HB2 GLN B 98 10.829 7.412 10.714 1.00 1.43 H new ATOM 0 HB3 GLN B 98 10.466 8.743 11.795 1.00 1.43 H new ATOM 0 HG2 GLN B 98 8.804 6.206 11.642 1.00 2.02 H new ATOM 0 HG3 GLN B 98 10.133 6.427 12.762 1.00 2.02 H new ATOM 0 HE21 GLN B 98 6.877 7.491 11.863 1.00 3.60 H new ATOM 0 HE22 GLN B 98 6.503 8.289 13.395 1.00 3.60 H new ATOM 2010 N LYS B 99 10.183 9.519 8.320 1.00 1.21 N ATOM 2011 CA LYS B 99 10.784 10.614 7.565 1.00 1.23 C ATOM 2012 C LYS B 99 9.712 11.564 7.039 1.00 1.18 C ATOM 2013 O LYS B 99 9.836 12.781 7.161 1.00 1.22 O ATOM 2014 CB LYS B 99 11.616 10.079 6.397 1.00 1.19 C ATOM 2015 CG LYS B 99 12.585 11.105 5.829 1.00 1.18 C ATOM 2016 CD LYS B 99 13.217 10.633 4.528 1.00 1.26 C ATOM 2017 CE LYS B 99 12.268 10.799 3.354 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.964 11.334 2.154 1.00 1.59 N ATOM 0 H LYS B 99 10.213 8.615 7.849 1.00 1.21 H new ATOM 0 HA LYS B 99 11.439 11.162 8.243 1.00 1.23 H new ATOM 0 HB2 LYS B 99 12.176 9.205 6.729 1.00 1.19 H new ATOM 0 HB3 LYS B 99 10.945 9.745 5.605 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.059 12.044 5.657 1.00 1.18 H new ATOM 0 HG3 LYS B 99 13.368 11.308 6.560 1.00 1.18 H new ATOM 0 HD2 LYS B 99 14.131 11.197 4.341 1.00 1.26 H new ATOM 0 HD3 LYS B 99 13.503 9.585 4.621 1.00 1.26 H new ATOM 0 HE2 LYS B 99 11.816 9.837 3.113 1.00 1.39 H new ATOM 0 HE3 LYS B 99 11.457 11.471 3.634 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.266 11.545 1.413 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 13.474 12.204 2.408 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 13.640 10.627 1.801 1.00 1.59 H new ATOM 2032 N ASN B 100 8.658 10.999 6.459 1.00 1.12 N ATOM 2033 CA ASN B 100 7.569 11.804 5.909 1.00 1.11 C ATOM 2034 C ASN B 100 6.433 11.932 6.920 1.00 1.13 C ATOM 2035 O ASN B 100 5.464 12.658 6.691 1.00 1.12 O ATOM 2036 CB ASN B 100 7.049 11.175 4.613 1.00 1.07 C ATOM 2037 CG ASN B 100 6.466 12.197 3.651 1.00 1.32 C ATOM 2038 OD1 ASN B 100 7.178 12.760 2.821 1.00 1.75 O ATOM 2039 ND2 ASN B 100 5.169 12.445 3.754 1.00 1.49 N ATOM 0 H ASN B 100 8.533 9.992 6.357 1.00 1.12 H new ATOM 0 HA ASN B 100 7.954 12.800 5.690 1.00 1.11 H new ATOM 0 HB2 ASN B 100 7.864 10.644 4.121 1.00 1.07 H new ATOM 0 HB3 ASN B 100 6.286 10.435 4.855 1.00 1.07 H new ATOM 0 HD21 ASN B 100 4.728 13.123 3.132 1.00 1.49 H new ATOM 0 HD22 ASN B 100 4.611 11.958 4.455 1.00 1.49 H new ATOM 2046 N ASP B 101 6.572 11.215 8.034 1.00 1.19 N ATOM 2047 CA ASP B 101 5.574 11.213 9.108 1.00 1.24 C ATOM 2048 C ASP B 101 4.228 10.693 8.600 1.00 1.23 C ATOM 2049 O ASP B 101 3.309 11.460 8.308 1.00 1.33 O ATOM 2050 CB ASP B 101 5.420 12.609 9.721 1.00 1.27 C ATOM 2051 CG ASP B 101 4.477 12.619 10.906 1.00 1.36 C ATOM 2052 OD1 ASP B 101 4.706 11.847 11.863 1.00 1.84 O ATOM 2053 OD2 ASP B 101 3.508 13.410 10.895 1.00 1.79 O ATOM 0 H ASP B 101 7.378 10.619 8.220 1.00 1.19 H new ATOM 0 HA ASP B 101 5.926 10.540 9.890 1.00 1.24 H new ATOM 0 HB2 ASP B 101 6.398 12.975 10.035 1.00 1.27 H new ATOM 0 HB3 ASP B 101 5.051 13.298 8.961 1.00 1.27 H new ATOM 2058 N LEU B 102 4.133 9.377 8.475 1.00 1.15 N ATOM 2059 CA LEU B 102 2.921 8.732 7.999 1.00 1.17 C ATOM 2060 C LEU B 102 2.351 7.813 9.070 1.00 1.23 C ATOM 2061 O LEU B 102 3.055 7.408 9.996 1.00 1.28 O ATOM 2062 CB LEU B 102 3.211 7.930 6.724 1.00 1.11 C ATOM 2063 CG LEU B 102 2.583 8.476 5.435 1.00 1.26 C ATOM 2064 CD1 LEU B 102 1.067 8.500 5.542 1.00 1.96 C ATOM 2065 CD2 LEU B 102 3.119 9.864 5.123 1.00 1.50 C ATOM 0 H LEU B 102 4.890 8.731 8.700 1.00 1.15 H new ATOM 0 HA LEU B 102 2.187 9.505 7.773 1.00 1.17 H new ATOM 0 HB2 LEU B 102 4.291 7.880 6.587 1.00 1.11 H new ATOM 0 HB3 LEU B 102 2.861 6.909 6.872 1.00 1.11 H new ATOM 0 HG LEU B 102 2.856 7.811 4.616 1.00 1.26 H new ATOM 0 HD11 LEU B 102 0.643 8.891 4.617 1.00 1.96 H new ATOM 0 HD12 LEU B 102 0.698 7.488 5.711 1.00 1.96 H new ATOM 0 HD13 LEU B 102 0.771 9.138 6.375 1.00 1.96 H new ATOM 0 HD21 LEU B 102 2.661 10.233 4.205 1.00 1.50 H new ATOM 0 HD22 LEU B 102 2.880 10.539 5.945 1.00 1.50 H new ATOM 0 HD23 LEU B 102 4.200 9.816 4.995 1.00 1.50 H new ATOM 2077 N ASN B 103 1.075 7.497 8.935 1.00 1.25 N ATOM 2078 CA ASN B 103 0.391 6.625 9.879 1.00 1.31 C ATOM 2079 C ASN B 103 0.956 5.208 9.791 1.00 1.23 C ATOM 2080 O ASN B 103 1.194 4.704 8.690 1.00 1.14 O ATOM 2081 CB ASN B 103 -1.113 6.614 9.583 1.00 1.37 C ATOM 2082 CG ASN B 103 -1.951 6.331 10.815 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -1.574 6.684 11.930 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -3.102 5.708 10.623 1.00 1.84 N ATOM 0 H ASN B 103 0.485 7.834 8.174 1.00 1.25 H new ATOM 0 HA ASN B 103 0.550 7.002 10.889 1.00 1.31 H new ATOM 0 HB2 ASN B 103 -1.404 7.578 9.165 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -1.324 5.860 8.824 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -3.711 5.505 11.416 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -3.381 5.430 9.682 1.00 1.84 H new ATOM 2091 N PRO B 104 1.172 4.543 10.949 1.00 1.29 N ATOM 2092 CA PRO B 104 1.718 3.175 11.013 1.00 1.25 C ATOM 2093 C PRO B 104 0.903 2.149 10.225 1.00 1.19 C ATOM 2094 O PRO B 104 1.346 1.021 10.017 1.00 1.15 O ATOM 2095 CB PRO B 104 1.692 2.838 12.511 1.00 1.34 C ATOM 2096 CG PRO B 104 0.774 3.837 13.123 1.00 1.55 C ATOM 2097 CD PRO B 104 0.923 5.078 12.297 1.00 1.41 C ATOM 0 HA PRO B 104 2.710 3.135 10.564 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.336 1.822 12.679 1.00 1.34 H new ATOM 0 HB3 PRO B 104 2.689 2.902 12.946 1.00 1.34 H new ATOM 0 HG2 PRO B 104 -0.256 3.481 13.113 1.00 1.55 H new ATOM 0 HG3 PRO B 104 1.037 4.025 14.164 1.00 1.55 H new ATOM 0 HD2 PRO B 104 0.025 5.695 12.328 1.00 1.41 H new ATOM 0 HD3 PRO B 104 1.749 5.699 12.645 1.00 1.41 H new ATOM 2105 N MET B 105 -0.285 2.542 9.789 1.00 1.21 N ATOM 2106 CA MET B 105 -1.144 1.653 9.019 1.00 1.20 C ATOM 2107 C MET B 105 -0.563 1.405 7.628 1.00 1.13 C ATOM 2108 O MET B 105 -0.848 0.388 7.000 1.00 1.16 O ATOM 2109 CB MET B 105 -2.559 2.230 8.909 1.00 1.27 C ATOM 2110 CG MET B 105 -3.372 2.093 10.189 1.00 1.26 C ATOM 2111 SD MET B 105 -5.054 2.724 10.017 1.00 1.64 S ATOM 2112 CE MET B 105 -5.694 2.446 11.668 1.00 1.78 C ATOM 0 H MET B 105 -0.676 3.469 9.955 1.00 1.21 H new ATOM 0 HA MET B 105 -1.198 0.699 9.544 1.00 1.20 H new ATOM 0 HB2 MET B 105 -2.493 3.284 8.641 1.00 1.27 H new ATOM 0 HB3 MET B 105 -3.086 1.727 8.098 1.00 1.27 H new ATOM 0 HG2 MET B 105 -3.410 1.043 10.480 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.868 2.628 10.994 1.00 1.26 H new ATOM 0 HE1 MET B 105 -6.728 2.787 11.719 1.00 1.78 H new ATOM 0 HE2 MET B 105 -5.650 1.382 11.901 1.00 1.78 H new ATOM 0 HE3 MET B 105 -5.093 3.000 12.389 1.00 1.78 H new ATOM 2122 N PHE B 106 0.278 2.325 7.158 1.00 1.06 N ATOM 2123 CA PHE B 106 0.894 2.194 5.843 1.00 1.02 C ATOM 2124 C PHE B 106 2.215 1.440 5.931 1.00 0.94 C ATOM 2125 O PHE B 106 2.878 1.211 4.916 1.00 0.87 O ATOM 2126 CB PHE B 106 1.131 3.571 5.221 1.00 1.07 C ATOM 2127 CG PHE B 106 -0.067 4.126 4.506 1.00 1.15 C ATOM 2128 CD1 PHE B 106 -0.460 3.611 3.282 1.00 1.28 C ATOM 2129 CD2 PHE B 106 -0.802 5.165 5.057 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -1.561 4.119 2.618 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -1.905 5.677 4.398 1.00 1.45 C ATOM 2132 CZ PHE B 106 -2.283 5.155 3.178 1.00 1.49 C ATOM 0 H PHE B 106 0.547 3.166 7.668 1.00 1.06 H new ATOM 0 HA PHE B 106 0.209 1.628 5.211 1.00 1.02 H new ATOM 0 HB2 PHE B 106 1.430 4.267 6.005 1.00 1.07 H new ATOM 0 HB3 PHE B 106 1.963 3.505 4.520 1.00 1.07 H new ATOM 0 HD1 PHE B 106 0.101 2.801 2.840 1.00 1.28 H new ATOM 0 HD2 PHE B 106 -0.510 5.579 6.011 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -1.856 3.707 1.664 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -2.470 6.485 4.838 1.00 1.45 H new ATOM 0 HZ PHE B 106 -3.142 5.556 2.661 1.00 1.49 H new ATOM 2142 N LEU B 107 2.592 1.057 7.148 1.00 0.98 N ATOM 2143 CA LEU B 107 3.836 0.327 7.375 1.00 0.93 C ATOM 2144 C LEU B 107 3.804 -1.015 6.658 1.00 0.89 C ATOM 2145 O LEU B 107 4.726 -1.356 5.918 1.00 0.84 O ATOM 2146 CB LEU B 107 4.062 0.105 8.877 1.00 1.01 C ATOM 2147 CG LEU B 107 5.356 -0.625 9.251 1.00 0.95 C ATOM 2148 CD1 LEU B 107 6.534 0.333 9.219 1.00 0.94 C ATOM 2149 CD2 LEU B 107 5.227 -1.271 10.623 1.00 1.08 C ATOM 0 H LEU B 107 2.052 1.241 7.994 1.00 0.98 H new ATOM 0 HA LEU B 107 4.657 0.923 6.977 1.00 0.93 H new ATOM 0 HB2 LEU B 107 4.056 1.075 9.374 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.219 -0.461 9.273 1.00 1.01 H new ATOM 0 HG LEU B 107 5.533 -1.412 8.518 1.00 0.95 H new ATOM 0 HD11 LEU B 107 7.445 -0.202 9.487 1.00 0.94 H new ATOM 0 HD12 LEU B 107 6.638 0.748 8.216 1.00 0.94 H new ATOM 0 HD13 LEU B 107 6.365 1.141 9.930 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.155 -1.785 10.872 1.00 1.08 H new ATOM 0 HD22 LEU B 107 5.026 -0.503 11.370 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.407 -1.989 10.612 1.00 1.08 H new ATOM 2161 N ASP B 108 2.721 -1.759 6.867 1.00 0.96 N ATOM 2162 CA ASP B 108 2.552 -3.077 6.253 1.00 0.96 C ATOM 2163 C ASP B 108 2.575 -2.979 4.732 1.00 0.90 C ATOM 2164 O ASP B 108 3.110 -3.851 4.053 1.00 0.88 O ATOM 2165 CB ASP B 108 1.237 -3.714 6.714 1.00 1.09 C ATOM 2166 CG ASP B 108 1.164 -5.193 6.390 1.00 1.08 C ATOM 2167 OD1 ASP B 108 1.926 -5.974 6.993 1.00 1.22 O ATOM 2168 OD2 ASP B 108 0.337 -5.589 5.539 1.00 1.40 O ATOM 0 H ASP B 108 1.942 -1.471 7.460 1.00 0.96 H new ATOM 0 HA ASP B 108 3.384 -3.705 6.570 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.127 -3.575 7.790 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.402 -3.200 6.239 1.00 1.09 H new ATOM 2173 N GLN B 109 2.016 -1.892 4.211 1.00 0.91 N ATOM 2174 CA GLN B 109 1.953 -1.663 2.770 1.00 0.90 C ATOM 2175 C GLN B 109 3.336 -1.723 2.131 1.00 0.86 C ATOM 2176 O GLN B 109 3.574 -2.498 1.211 1.00 0.91 O ATOM 2177 CB GLN B 109 1.312 -0.302 2.487 1.00 0.96 C ATOM 2178 CG GLN B 109 1.163 0.005 1.005 1.00 0.92 C ATOM 2179 CD GLN B 109 1.183 1.493 0.702 1.00 1.16 C ATOM 2180 OE1 GLN B 109 1.980 2.247 1.450 1.00 1.34 O flip ATOM 2181 NE2 GLN B 109 0.499 1.961 -0.207 1.00 1.66 N flip ATOM 0 H GLN B 109 1.596 -1.149 4.770 1.00 0.91 H new ATOM 0 HA GLN B 109 1.345 -2.455 2.332 1.00 0.90 H new ATOM 0 HB2 GLN B 109 0.329 -0.268 2.957 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.915 0.478 2.952 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.968 -0.483 0.456 1.00 0.92 H new ATOM 0 HG3 GLN B 109 0.227 -0.421 0.644 1.00 0.92 H new ATOM 0 HE21 GLN B 109 -0.101 1.350 -0.760 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.532 2.961 -0.408 1.00 1.66 H new ATOM 2190 N VAL B 110 4.253 -0.915 2.631 1.00 0.80 N ATOM 2191 CA VAL B 110 5.597 -0.888 2.078 1.00 0.79 C ATOM 2192 C VAL B 110 6.416 -2.087 2.546 1.00 0.76 C ATOM 2193 O VAL B 110 7.258 -2.588 1.806 1.00 0.79 O ATOM 2194 CB VAL B 110 6.338 0.423 2.416 1.00 0.80 C ATOM 2195 CG1 VAL B 110 6.000 1.494 1.394 1.00 0.91 C ATOM 2196 CG2 VAL B 110 5.992 0.901 3.816 1.00 0.75 C ATOM 0 H VAL B 110 4.096 -0.275 3.410 1.00 0.80 H new ATOM 0 HA VAL B 110 5.487 -0.942 0.995 1.00 0.79 H new ATOM 0 HB VAL B 110 7.410 0.227 2.382 1.00 0.80 H new ATOM 0 HG11 VAL B 110 6.529 2.414 1.643 1.00 0.91 H new ATOM 0 HG12 VAL B 110 6.303 1.159 0.402 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.926 1.679 1.402 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.528 1.826 4.027 1.00 0.75 H new ATOM 0 HG22 VAL B 110 4.919 1.080 3.885 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.280 0.141 4.542 1.00 0.75 H new ATOM 2206 N ALA B 111 6.148 -2.563 3.757 1.00 0.75 N ATOM 2207 CA ALA B 111 6.870 -3.707 4.301 1.00 0.75 C ATOM 2208 C ALA B 111 6.627 -4.964 3.471 1.00 0.75 C ATOM 2209 O ALA B 111 7.576 -5.627 3.054 1.00 0.75 O ATOM 2210 CB ALA B 111 6.483 -3.947 5.753 1.00 0.77 C ATOM 0 H ALA B 111 5.438 -2.176 4.379 1.00 0.75 H new ATOM 0 HA ALA B 111 7.934 -3.476 4.258 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.033 -4.805 6.139 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.725 -3.064 6.345 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.413 -4.144 5.817 1.00 0.77 H new ATOM 2216 N LYS B 112 5.356 -5.273 3.216 1.00 0.76 N ATOM 2217 CA LYS B 112 4.998 -6.454 2.435 1.00 0.77 C ATOM 2218 C LYS B 112 5.613 -6.384 1.040 1.00 0.78 C ATOM 2219 O LYS B 112 6.109 -7.386 0.523 1.00 0.83 O ATOM 2220 CB LYS B 112 3.477 -6.595 2.315 1.00 0.80 C ATOM 2221 CG LYS B 112 2.770 -6.920 3.624 1.00 0.85 C ATOM 2222 CD LYS B 112 3.127 -8.304 4.142 1.00 0.93 C ATOM 2223 CE LYS B 112 1.916 -9.003 4.749 1.00 1.04 C ATOM 2224 NZ LYS B 112 1.214 -8.151 5.749 1.00 1.14 N ATOM 0 H LYS B 112 4.560 -4.723 3.538 1.00 0.76 H new ATOM 0 HA LYS B 112 5.392 -7.325 2.958 1.00 0.77 H new ATOM 0 HB2 LYS B 112 3.069 -5.666 1.916 1.00 0.80 H new ATOM 0 HB3 LYS B 112 3.253 -7.378 1.591 1.00 0.80 H new ATOM 0 HG2 LYS B 112 3.035 -6.174 4.373 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.692 -6.856 3.478 1.00 0.85 H new ATOM 0 HD2 LYS B 112 3.526 -8.907 3.326 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.914 -8.221 4.891 1.00 0.93 H new ATOM 0 HE2 LYS B 112 1.221 -9.275 3.955 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.235 -9.930 5.225 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.632 -8.750 6.368 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 1.915 -7.639 6.322 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 0.605 -7.467 5.256 1.00 1.14 H new ATOM 2238 N PHE B 113 5.588 -5.195 0.447 1.00 0.78 N ATOM 2239 CA PHE B 113 6.147 -4.994 -0.883 1.00 0.83 C ATOM 2240 C PHE B 113 7.634 -5.332 -0.898 1.00 0.84 C ATOM 2241 O PHE B 113 8.098 -6.080 -1.754 1.00 0.95 O ATOM 2242 CB PHE B 113 5.933 -3.553 -1.353 1.00 0.87 C ATOM 2243 CG PHE B 113 6.364 -3.315 -2.776 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.576 -3.741 -3.833 1.00 1.76 C ATOM 2245 CD2 PHE B 113 7.561 -2.673 -3.055 1.00 1.29 C ATOM 2246 CE1 PHE B 113 5.971 -3.531 -5.141 1.00 2.06 C ATOM 2247 CE2 PHE B 113 7.962 -2.462 -4.360 1.00 1.57 C ATOM 2248 CZ PHE B 113 7.166 -2.890 -5.404 1.00 1.78 C ATOM 0 H PHE B 113 5.186 -4.357 0.867 1.00 0.78 H new ATOM 0 HA PHE B 113 5.628 -5.663 -1.569 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.877 -3.300 -1.254 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.485 -2.880 -0.697 1.00 0.87 H new ATOM 0 HD1 PHE B 113 4.641 -4.244 -3.632 1.00 1.76 H new ATOM 0 HD2 PHE B 113 8.187 -2.334 -2.243 1.00 1.29 H new ATOM 0 HE1 PHE B 113 5.347 -3.867 -5.955 1.00 2.06 H new ATOM 0 HE2 PHE B 113 8.898 -1.963 -4.564 1.00 1.57 H new ATOM 0 HZ PHE B 113 7.477 -2.724 -6.425 1.00 1.78 H new ATOM 2258 N ILE B 114 8.372 -4.786 0.065 1.00 0.75 N ATOM 2259 CA ILE B 114 9.808 -5.031 0.169 1.00 0.79 C ATOM 2260 C ILE B 114 10.089 -6.515 0.390 1.00 0.85 C ATOM 2261 O ILE B 114 11.035 -7.069 -0.177 1.00 0.93 O ATOM 2262 CB ILE B 114 10.434 -4.217 1.324 1.00 0.76 C ATOM 2263 CG1 ILE B 114 10.272 -2.715 1.076 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.905 -4.572 1.489 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.643 -1.867 2.273 1.00 0.69 C ATOM 0 H ILE B 114 7.998 -4.169 0.786 1.00 0.75 H new ATOM 0 HA ILE B 114 10.259 -4.713 -0.771 1.00 0.79 H new ATOM 0 HB ILE B 114 9.910 -4.471 2.245 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.892 -2.425 0.228 1.00 0.72 H new ATOM 0 HG13 ILE B 114 9.238 -2.509 0.800 1.00 0.72 H new ATOM 0 HG21 ILE B 114 12.330 -3.990 2.306 1.00 0.89 H new ATOM 0 HG22 ILE B 114 12.000 -5.635 1.713 1.00 0.89 H new ATOM 0 HG23 ILE B 114 12.440 -4.346 0.566 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.505 -0.814 2.029 1.00 0.69 H new ATOM 0 HD12 ILE B 114 10.006 -2.131 3.117 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.686 -2.045 2.536 1.00 0.69 H new ATOM 2277 N ILE B 115 9.251 -7.150 1.203 1.00 0.84 N ATOM 2278 CA ILE B 115 9.394 -8.568 1.514 1.00 0.90 C ATOM 2279 C ILE B 115 9.368 -9.423 0.250 1.00 0.98 C ATOM 2280 O ILE B 115 10.249 -10.259 0.037 1.00 1.05 O ATOM 2281 CB ILE B 115 8.284 -9.045 2.486 1.00 0.89 C ATOM 2282 CG1 ILE B 115 8.529 -8.474 3.888 1.00 0.91 C ATOM 2283 CG2 ILE B 115 8.225 -10.569 2.540 1.00 0.95 C ATOM 2284 CD1 ILE B 115 7.418 -8.771 4.873 1.00 0.95 C ATOM 0 H ILE B 115 8.459 -6.700 1.662 1.00 0.84 H new ATOM 0 HA ILE B 115 10.363 -8.690 1.998 1.00 0.90 H new ATOM 0 HB ILE B 115 7.326 -8.680 2.116 1.00 0.89 H new ATOM 0 HG12 ILE B 115 9.464 -8.879 4.276 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.656 -7.394 3.813 1.00 0.91 H new ATOM 0 HG21 ILE B 115 7.439 -10.879 3.229 1.00 0.95 H new ATOM 0 HG22 ILE B 115 8.011 -10.960 1.545 1.00 0.95 H new ATOM 0 HG23 ILE B 115 9.183 -10.958 2.885 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.664 -8.335 5.841 1.00 0.95 H new ATOM 0 HD12 ILE B 115 6.484 -8.342 4.509 1.00 0.95 H new ATOM 0 HD13 ILE B 115 7.305 -9.850 4.979 1.00 0.95 H new ATOM 2296 N ASP B 116 8.371 -9.200 -0.598 1.00 1.03 N ATOM 2297 CA ASP B 116 8.240 -9.976 -1.823 1.00 1.15 C ATOM 2298 C ASP B 116 9.190 -9.485 -2.905 1.00 1.08 C ATOM 2299 O ASP B 116 9.637 -10.265 -3.746 1.00 1.16 O ATOM 2300 CB ASP B 116 6.801 -9.948 -2.339 1.00 1.29 C ATOM 2301 CG ASP B 116 6.361 -11.312 -2.824 1.00 1.56 C ATOM 2302 OD1 ASP B 116 7.161 -11.990 -3.502 1.00 2.13 O ATOM 2303 OD2 ASP B 116 5.238 -11.733 -2.495 1.00 1.57 O ATOM 0 H ASP B 116 7.648 -8.494 -0.461 1.00 1.03 H new ATOM 0 HA ASP B 116 8.507 -11.004 -1.579 1.00 1.15 H new ATOM 0 HB2 ASP B 116 6.135 -9.610 -1.545 1.00 1.29 H new ATOM 0 HB3 ASP B 116 6.719 -9.227 -3.152 1.00 1.29 H new ATOM 2308 N ASN B 117 9.508 -8.196 -2.864 1.00 0.95 N ATOM 2309 CA ASN B 117 10.405 -7.570 -3.840 1.00 0.93 C ATOM 2310 C ASN B 117 11.684 -8.379 -4.054 1.00 0.95 C ATOM 2311 O ASN B 117 12.111 -8.593 -5.190 1.00 1.00 O ATOM 2312 CB ASN B 117 10.760 -6.148 -3.382 1.00 0.97 C ATOM 2313 CG ASN B 117 12.046 -5.616 -4.002 1.00 1.17 C ATOM 2314 OD1 ASN B 117 12.042 -5.085 -5.111 1.00 1.29 O ATOM 2315 ND2 ASN B 117 13.153 -5.750 -3.284 1.00 1.38 N ATOM 0 H ASN B 117 9.154 -7.553 -2.156 1.00 0.95 H new ATOM 0 HA ASN B 117 9.877 -7.535 -4.793 1.00 0.93 H new ATOM 0 HB2 ASN B 117 9.939 -5.477 -3.635 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.857 -6.138 -2.296 1.00 0.97 H new ATOM 0 HD21 ASN B 117 14.042 -5.407 -3.648 1.00 1.38 H new ATOM 0 HD22 ASN B 117 13.116 -6.196 -2.368 1.00 1.38 H new ATOM 2322 N THR B 118 12.285 -8.834 -2.968 1.00 1.00 N ATOM 2323 CA THR B 118 13.521 -9.591 -3.060 1.00 1.12 C ATOM 2324 C THR B 118 13.311 -11.080 -2.771 1.00 1.21 C ATOM 2325 O THR B 118 14.269 -11.796 -2.466 1.00 1.37 O ATOM 2326 CB THR B 118 14.574 -9.021 -2.088 1.00 1.19 C ATOM 2327 OG1 THR B 118 13.994 -7.963 -1.305 1.00 1.29 O ATOM 2328 CG2 THR B 118 15.784 -8.490 -2.845 1.00 1.57 C ATOM 0 H THR B 118 11.940 -8.694 -2.018 1.00 1.00 H new ATOM 0 HA THR B 118 13.876 -9.496 -4.086 1.00 1.12 H new ATOM 0 HB THR B 118 14.902 -9.826 -1.431 1.00 1.19 H new ATOM 0 HG1 THR B 118 14.707 -7.410 -0.923 1.00 1.29 H new ATOM 0 HG21 THR B 118 16.511 -8.094 -2.136 1.00 1.57 H new ATOM 0 HG22 THR B 118 16.238 -9.298 -3.418 1.00 1.57 H new ATOM 0 HG23 THR B 118 15.469 -7.697 -3.524 1.00 1.57 H new ATOM 2336 N LYS B 119 12.072 -11.561 -2.883 1.00 1.22 N ATOM 2337 CA LYS B 119 11.803 -12.972 -2.613 1.00 1.37 C ATOM 2338 C LYS B 119 11.043 -13.652 -3.754 1.00 1.41 C ATOM 2339 O LYS B 119 11.173 -14.858 -3.953 1.00 1.65 O ATOM 2340 CB LYS B 119 11.051 -13.134 -1.278 1.00 1.44 C ATOM 2341 CG LYS B 119 9.531 -13.192 -1.392 1.00 1.57 C ATOM 2342 CD LYS B 119 9.006 -14.605 -1.190 1.00 1.83 C ATOM 2343 CE LYS B 119 7.493 -14.624 -1.036 1.00 1.82 C ATOM 2344 NZ LYS B 119 6.784 -14.335 -2.314 1.00 1.87 N ATOM 0 H LYS B 119 11.257 -11.009 -3.152 1.00 1.22 H new ATOM 0 HA LYS B 119 12.768 -13.473 -2.536 1.00 1.37 H new ATOM 0 HB2 LYS B 119 11.398 -14.046 -0.792 1.00 1.44 H new ATOM 0 HB3 LYS B 119 11.319 -12.303 -0.625 1.00 1.44 H new ATOM 0 HG2 LYS B 119 9.085 -12.528 -0.651 1.00 1.57 H new ATOM 0 HG3 LYS B 119 9.225 -12.827 -2.372 1.00 1.57 H new ATOM 0 HD2 LYS B 119 9.294 -15.225 -2.039 1.00 1.83 H new ATOM 0 HD3 LYS B 119 9.468 -15.042 -0.305 1.00 1.83 H new ATOM 0 HE2 LYS B 119 7.181 -15.600 -0.665 1.00 1.82 H new ATOM 0 HE3 LYS B 119 7.198 -13.889 -0.287 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 5.835 -13.963 -2.108 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 7.322 -13.630 -2.858 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 6.699 -15.210 -2.870 1.00 1.87 H new ATOM 2358 N GLY B 120 10.255 -12.895 -4.507 1.00 1.52 N ATOM 2359 CA GLY B 120 9.518 -13.505 -5.595 1.00 1.69 C ATOM 2360 C GLY B 120 8.842 -12.509 -6.510 1.00 1.69 C ATOM 2361 O GLY B 120 8.805 -12.720 -7.726 1.00 2.16 O ATOM 0 H GLY B 120 10.115 -11.892 -4.388 1.00 1.52 H new ATOM 0 HA2 GLY B 120 10.199 -14.120 -6.183 1.00 1.69 H new ATOM 0 HA3 GLY B 120 8.763 -14.173 -5.180 1.00 1.69 H new ATOM 2365 N GLN B 121 8.263 -11.459 -5.917 1.00 1.54 N ATOM 2366 CA GLN B 121 7.565 -10.395 -6.655 1.00 1.83 C ATOM 2367 C GLN B 121 6.215 -10.885 -7.172 1.00 1.53 C ATOM 2368 O GLN B 121 5.196 -10.208 -7.029 1.00 1.76 O ATOM 2369 CB GLN B 121 8.417 -9.860 -7.811 1.00 2.41 C ATOM 2370 CG GLN B 121 9.630 -9.067 -7.355 1.00 3.25 C ATOM 2371 CD GLN B 121 10.676 -8.922 -8.443 1.00 3.93 C ATOM 2372 OE1 GLN B 121 10.360 -8.925 -9.633 1.00 4.44 O ATOM 2373 NE2 GLN B 121 11.929 -8.788 -8.042 1.00 4.31 N ATOM 0 H GLN B 121 8.264 -11.321 -4.906 1.00 1.54 H new ATOM 0 HA GLN B 121 7.393 -9.575 -5.958 1.00 1.83 H new ATOM 0 HB2 GLN B 121 8.750 -10.698 -8.424 1.00 2.41 H new ATOM 0 HB3 GLN B 121 7.797 -9.227 -8.446 1.00 2.41 H new ATOM 0 HG2 GLN B 121 9.311 -8.077 -7.029 1.00 3.25 H new ATOM 0 HG3 GLN B 121 10.076 -9.558 -6.490 1.00 3.25 H new ATOM 0 HE21 GLN B 121 12.149 -8.791 -7.046 1.00 4.31 H new ATOM 0 HE22 GLN B 121 12.676 -8.682 -8.729 1.00 4.31 H new ATOM 2382 N MET B 122 6.227 -12.052 -7.792 1.00 1.52 N ATOM 2383 CA MET B 122 5.018 -12.659 -8.323 1.00 1.72 C ATOM 2384 C MET B 122 4.743 -13.984 -7.618 1.00 1.91 C ATOM 2385 O MET B 122 3.611 -14.460 -7.591 1.00 2.38 O ATOM 2386 CB MET B 122 5.152 -12.880 -9.831 1.00 2.18 C ATOM 2387 CG MET B 122 6.273 -13.834 -10.216 1.00 2.58 C ATOM 2388 SD MET B 122 6.615 -13.834 -11.985 1.00 3.62 S ATOM 2389 CE MET B 122 7.383 -12.228 -12.188 1.00 3.50 C ATOM 0 H MET B 122 7.071 -12.604 -7.941 1.00 1.52 H new ATOM 0 HA MET B 122 4.181 -11.985 -8.144 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.209 -13.268 -10.217 1.00 2.18 H new ATOM 0 HB3 MET B 122 5.323 -11.919 -10.316 1.00 2.18 H new ATOM 0 HG2 MET B 122 7.179 -13.559 -9.676 1.00 2.58 H new ATOM 0 HG3 MET B 122 6.008 -14.844 -9.902 1.00 2.58 H new ATOM 0 HE1 MET B 122 7.945 -12.209 -13.122 1.00 3.50 H new ATOM 0 HE2 MET B 122 6.613 -11.457 -12.212 1.00 3.50 H new ATOM 0 HE3 MET B 122 8.059 -12.040 -11.354 1.00 3.50 H new