USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1099 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: A 12 GLN : amide:sc= -0.768 K(o=-0.56,f=-9.1!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 138:sc= 0.204 (180deg=-0.115) USER MOD Set 2.1: A 91 GLN : amide:sc= 0.0631 K(o=0.16,f=-0.53) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 151:sc= 0.0925 (180deg=0) USER MOD Set 3.1: A 20 ASN : amide:sc= -2.02! K(o=-4.9!,f=-1.2) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.299 K(o=-4.9,f=-0.65) USER MOD Set 3.3: A 30 THR OG1 : rot -157:sc= 0.454 USER MOD Set 3.4: A 32 GLN : amide:sc= -3.01! K(o=-4.9!,f=-0.65) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.25) USER MOD Set 4.2: A 29 GLN : amide:sc= -3.19! C(o=-1.9!,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-5.6e-06 (180deg=-0.209) USER MOD Single : A 2 MET CE :methyl -154:sc= -0.229 (180deg=-1.08) USER MOD Single : A 3 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0524 (180deg=-0.343) USER MOD Single : A 28 TYR OH : rot 104:sc= 1.05 USER MOD Single : A 35 ASN : amide:sc= -3.45! K(o=-3.4!,f=0.14) USER MOD Single : A 38 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -173:sc= -1.55 (180deg=-1.64) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.868 (180deg=-3.31!) USER MOD Single : A 60 MET CE :methyl 163:sc= -0.0809 (180deg=-0.503) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 147:sc= -6.43! (180deg=-10.3!) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -2.91! (180deg=-3.42!) USER MOD Single : A 75 ASN : amide:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 81 MET CE :methyl 154:sc= -0.252 (180deg=-1.06) USER MOD Single : A 82 THR OG1 : rot 90:sc= -0.349 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -166:sc= -0.0863 (180deg=-0.395) USER MOD Single : A 93 SER OG : rot -10:sc= -0.739 USER MOD Single : A 100 THR OG1 : rot 146:sc= -2.74! USER MOD Single : A 116 LYS NZ :NH3+ -155:sc= 0.558 (180deg=-0.0869) USER MOD Single : A 117 LYS NZ :NH3+ -179:sc= 0.568 (180deg=0.567) USER MOD Single : A 118 TYR OH : rot 158:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -120:sc= 0.158 USER MOD Single : A 124 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.93) USER MOD Single : A 127 HIS : no HE2:sc= 0.833 K(o=0.83,f=-5.3!) USER MOD Single : A 128 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.43) USER MOD Single : A 129 HIS : no HE2:sc= 0.78 K(o=0.78,f=-4!) USER MOD Single : A 130 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.7!) USER MOD Single : A 131 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.48) USER MOD Single : A 132 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.088 14.511 -8.787 1.00 4.15 N ATOM 2 CA MET A 1 9.860 13.807 -9.215 1.00 3.53 C ATOM 3 C MET A 1 9.578 12.640 -8.284 1.00 2.88 C ATOM 4 O MET A 1 10.344 11.676 -8.246 1.00 3.29 O ATOM 5 CB MET A 1 10.009 13.295 -10.650 1.00 3.87 C ATOM 6 CG MET A 1 10.365 14.383 -11.646 1.00 4.48 C ATOM 7 SD MET A 1 9.152 15.716 -11.679 1.00 5.46 S ATOM 8 CE MET A 1 9.976 16.879 -12.763 1.00 6.07 C ATOM 0 H1 MET A 1 11.182 15.400 -9.318 1.00 4.15 H new ATOM 0 H2 MET A 1 11.032 14.720 -7.770 1.00 4.15 H new ATOM 0 H3 MET A 1 11.916 13.909 -8.971 1.00 4.15 H new ATOM 0 HA MET A 1 9.028 14.510 -9.176 1.00 3.53 H new ATOM 0 HB2 MET A 1 10.780 12.525 -10.674 1.00 3.87 H new ATOM 0 HB3 MET A 1 9.076 12.823 -10.958 1.00 3.87 H new ATOM 0 HG2 MET A 1 11.343 14.793 -11.396 1.00 4.48 H new ATOM 0 HG3 MET A 1 10.447 13.947 -12.641 1.00 4.48 H new ATOM 0 HE1 MET A 1 9.353 17.765 -12.887 1.00 6.07 H new ATOM 0 HE2 MET A 1 10.933 17.167 -12.328 1.00 6.07 H new ATOM 0 HE3 MET A 1 10.144 16.414 -13.735 1.00 6.07 H new ATOM 20 N MET A 2 8.472 12.745 -7.539 1.00 2.34 N ATOM 21 CA MET A 2 8.078 11.750 -6.534 1.00 1.89 C ATOM 22 C MET A 2 9.069 11.713 -5.373 1.00 1.54 C ATOM 23 O MET A 2 10.170 12.256 -5.459 1.00 2.12 O ATOM 24 CB MET A 2 7.947 10.351 -7.146 1.00 1.97 C ATOM 25 CG MET A 2 6.917 10.257 -8.262 1.00 2.44 C ATOM 26 SD MET A 2 6.912 8.640 -9.064 1.00 3.03 S ATOM 27 CE MET A 2 8.601 8.557 -9.665 1.00 3.88 C ATOM 0 H MET A 2 7.821 13.527 -7.616 1.00 2.34 H new ATOM 0 HA MET A 2 7.102 12.054 -6.155 1.00 1.89 H new ATOM 0 HB2 MET A 2 8.918 10.043 -7.535 1.00 1.97 H new ATOM 0 HB3 MET A 2 7.681 9.645 -6.359 1.00 1.97 H new ATOM 0 HG2 MET A 2 5.926 10.460 -7.856 1.00 2.44 H new ATOM 0 HG3 MET A 2 7.121 11.027 -9.006 1.00 2.44 H new ATOM 0 HE1 MET A 2 8.647 7.898 -10.532 1.00 3.88 H new ATOM 0 HE2 MET A 2 8.936 9.555 -9.949 1.00 3.88 H new ATOM 0 HE3 MET A 2 9.248 8.167 -8.879 1.00 3.88 H new ATOM 37 N ASN A 3 8.663 11.094 -4.279 1.00 0.88 N ATOM 38 CA ASN A 3 9.550 10.906 -3.138 1.00 0.71 C ATOM 39 C ASN A 3 9.178 9.620 -2.408 1.00 0.66 C ATOM 40 O ASN A 3 9.524 9.431 -1.241 1.00 1.42 O ATOM 41 CB ASN A 3 9.470 12.119 -2.198 1.00 0.84 C ATOM 42 CG ASN A 3 10.554 12.123 -1.128 1.00 1.38 C ATOM 43 OD1 ASN A 3 11.641 11.574 -1.318 1.00 2.35 O ATOM 44 ND2 ASN A 3 10.279 12.770 -0.005 1.00 1.61 N ATOM 0 H ASN A 3 7.726 10.712 -4.154 1.00 0.88 H new ATOM 0 HA ASN A 3 10.579 10.821 -3.488 1.00 0.71 H new ATOM 0 HB2 ASN A 3 9.547 13.033 -2.787 1.00 0.84 H new ATOM 0 HB3 ASN A 3 8.493 12.133 -1.716 1.00 0.84 H new ATOM 0 HD21 ASN A 3 10.978 12.825 0.736 1.00 1.61 H new ATOM 0 HD22 ASN A 3 9.369 13.213 0.119 1.00 1.61 H new ATOM 51 N GLU A 4 8.459 8.741 -3.121 1.00 0.57 N ATOM 52 CA GLU A 4 8.068 7.429 -2.602 1.00 0.38 C ATOM 53 C GLU A 4 7.013 7.572 -1.489 1.00 0.32 C ATOM 54 O GLU A 4 7.338 7.924 -0.359 1.00 0.50 O ATOM 55 CB GLU A 4 9.323 6.707 -2.095 1.00 0.52 C ATOM 56 CG GLU A 4 9.162 5.241 -1.847 1.00 0.64 C ATOM 57 CD GLU A 4 9.637 4.418 -3.013 1.00 1.56 C ATOM 58 OE1 GLU A 4 9.165 4.667 -4.144 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.456 3.507 -2.790 1.00 2.30 O ATOM 0 H GLU A 4 8.134 8.922 -4.071 1.00 0.57 H new ATOM 0 HA GLU A 4 7.612 6.839 -3.397 1.00 0.38 H new ATOM 0 HB2 GLU A 4 10.123 6.850 -2.822 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.646 7.182 -1.169 1.00 0.52 H new ATOM 0 HG2 GLU A 4 9.720 4.961 -0.954 1.00 0.64 H new ATOM 0 HG3 GLU A 4 8.113 5.019 -1.650 1.00 0.64 H new ATOM 66 N LYS A 5 5.743 7.314 -1.813 1.00 0.21 N ATOM 67 CA LYS A 5 4.644 7.551 -0.862 1.00 0.14 C ATOM 68 C LYS A 5 3.668 6.387 -0.816 1.00 0.11 C ATOM 69 O LYS A 5 3.291 5.830 -1.854 1.00 0.12 O ATOM 70 CB LYS A 5 3.877 8.811 -1.245 1.00 0.16 C ATOM 71 CG LYS A 5 3.082 9.390 -0.087 1.00 0.16 C ATOM 72 CD LYS A 5 3.550 10.792 0.257 1.00 0.30 C ATOM 73 CE LYS A 5 3.310 11.774 -0.873 1.00 0.54 C ATOM 74 NZ LYS A 5 3.665 13.162 -0.473 1.00 0.80 N ATOM 0 H LYS A 5 5.448 6.944 -2.717 1.00 0.21 H new ATOM 0 HA LYS A 5 5.097 7.665 0.123 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.579 9.561 -1.610 1.00 0.16 H new ATOM 0 HB3 LYS A 5 3.199 8.582 -2.067 1.00 0.16 H new ATOM 0 HG2 LYS A 5 2.023 9.411 -0.345 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.185 8.745 0.786 1.00 0.16 H new ATOM 0 HD2 LYS A 5 3.030 11.137 1.151 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.613 10.769 0.495 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.900 11.482 -1.742 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.263 11.737 -1.172 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.489 13.808 -1.269 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.084 13.448 0.341 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.671 13.201 -0.211 1.00 0.80 H new ATOM 88 N ILE A 6 3.211 6.077 0.393 1.00 0.10 N ATOM 89 CA ILE A 6 2.357 4.930 0.629 1.00 0.09 C ATOM 90 C ILE A 6 1.208 5.257 1.574 1.00 0.08 C ATOM 91 O ILE A 6 1.276 6.190 2.367 1.00 0.08 O ATOM 92 CB ILE A 6 3.181 3.745 1.188 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.635 2.836 0.062 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.421 2.945 2.242 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.688 1.864 0.513 1.00 0.20 C ATOM 0 H ILE A 6 3.425 6.616 1.232 1.00 0.10 H new ATOM 0 HA ILE A 6 1.926 4.648 -0.332 1.00 0.09 H new ATOM 0 HB ILE A 6 4.054 4.173 1.681 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.778 2.287 -0.328 1.00 0.14 H new ATOM 0 HG13 ILE A 6 4.026 3.440 -0.756 1.00 0.14 H new ATOM 0 HG21 ILE A 6 3.047 2.127 2.599 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.164 3.596 3.077 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.509 2.540 1.804 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.984 1.233 -0.325 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.556 2.412 0.879 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.289 1.241 1.313 1.00 0.20 H new ATOM 107 N LEU A 7 0.155 4.478 1.452 1.00 0.09 N ATOM 108 CA LEU A 7 -1.003 4.571 2.309 1.00 0.08 C ATOM 109 C LEU A 7 -1.380 3.160 2.743 1.00 0.09 C ATOM 110 O LEU A 7 -1.678 2.329 1.900 1.00 0.17 O ATOM 111 CB LEU A 7 -2.127 5.177 1.494 1.00 0.10 C ATOM 112 CG LEU A 7 -3.189 5.912 2.275 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.096 6.650 1.312 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.000 4.966 3.143 1.00 0.12 C ATOM 0 H LEU A 7 0.080 3.750 0.741 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.808 5.184 3.189 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.693 5.867 0.770 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.608 4.380 0.926 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.699 6.623 2.939 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.865 7.182 1.872 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.509 7.363 0.733 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.568 5.936 0.637 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.755 5.531 3.690 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.489 4.223 2.513 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.339 4.464 3.850 1.00 0.12 H new ATOM 126 N ILE A 8 -1.347 2.866 4.028 1.00 0.09 N ATOM 127 CA ILE A 8 -1.675 1.511 4.475 1.00 0.10 C ATOM 128 C ILE A 8 -3.053 1.489 5.118 1.00 0.11 C ATOM 129 O ILE A 8 -3.203 1.911 6.255 1.00 0.13 O ATOM 130 CB ILE A 8 -0.667 0.931 5.498 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.777 1.342 5.192 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.775 -0.586 5.531 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.140 2.680 5.773 1.00 0.22 C ATOM 0 H ILE A 8 -1.104 3.522 4.770 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.639 0.892 3.578 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.924 1.344 6.474 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.456 0.585 5.584 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.920 1.370 4.112 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.063 -0.986 6.253 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.786 -0.873 5.821 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.554 -0.988 4.542 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.174 2.917 5.523 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.483 3.446 5.361 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.027 2.649 6.857 1.00 0.22 H new ATOM 145 N VAL A 9 -4.047 0.998 4.395 1.00 0.17 N ATOM 146 CA VAL A 9 -5.409 0.934 4.911 1.00 0.18 C ATOM 147 C VAL A 9 -5.647 -0.383 5.640 1.00 0.18 C ATOM 148 O VAL A 9 -6.223 -1.298 5.077 1.00 0.28 O ATOM 149 CB VAL A 9 -6.466 1.060 3.793 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.876 1.085 4.379 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.206 2.299 2.957 1.00 0.26 C ATOM 0 H VAL A 9 -3.938 0.637 3.447 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.515 1.776 5.595 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.388 0.187 3.146 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.604 1.174 3.572 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.057 0.163 4.931 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -7.975 1.936 5.053 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -6.960 2.374 2.173 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.254 3.183 3.592 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.217 2.231 2.504 1.00 0.26 H new ATOM 161 N ASP A 10 -5.195 -0.474 6.878 1.00 0.17 N ATOM 162 CA ASP A 10 -5.356 -1.693 7.663 1.00 0.18 C ATOM 163 C ASP A 10 -5.945 -1.379 9.041 1.00 0.17 C ATOM 164 O ASP A 10 -5.586 -0.377 9.665 1.00 0.32 O ATOM 165 CB ASP A 10 -4.015 -2.415 7.806 1.00 0.30 C ATOM 166 CG ASP A 10 -4.027 -3.452 8.911 1.00 1.02 C ATOM 167 OD1 ASP A 10 -4.990 -4.239 8.960 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.072 -3.489 9.718 1.00 1.82 O ATOM 0 H ASP A 10 -4.712 0.281 7.365 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.051 -2.349 7.138 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.764 -2.898 6.862 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.232 -1.684 8.007 1.00 0.30 H new ATOM 173 N ASP A 11 -6.841 -2.241 9.514 1.00 0.29 N ATOM 174 CA ASP A 11 -7.518 -2.031 10.796 1.00 0.31 C ATOM 175 C ASP A 11 -6.804 -2.759 11.913 1.00 0.37 C ATOM 176 O ASP A 11 -6.790 -2.289 13.054 1.00 0.46 O ATOM 177 CB ASP A 11 -8.971 -2.491 10.749 1.00 0.36 C ATOM 178 CG ASP A 11 -9.662 -2.399 12.096 1.00 0.41 C ATOM 179 OD1 ASP A 11 -9.902 -1.273 12.577 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.982 -3.460 12.674 1.00 0.51 O ATOM 0 H ASP A 11 -7.118 -3.095 9.029 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.496 -0.959 10.990 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.516 -1.885 10.025 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -9.010 -3.522 10.396 1.00 0.36 H new ATOM 185 N GLN A 12 -6.209 -3.906 11.606 1.00 0.43 N ATOM 186 CA GLN A 12 -5.384 -4.575 12.591 1.00 0.54 C ATOM 187 C GLN A 12 -4.026 -3.911 12.573 1.00 0.49 C ATOM 188 O GLN A 12 -3.016 -4.491 12.184 1.00 0.68 O ATOM 189 CB GLN A 12 -5.314 -6.091 12.368 1.00 0.79 C ATOM 190 CG GLN A 12 -5.564 -6.548 10.938 1.00 0.71 C ATOM 191 CD GLN A 12 -5.679 -8.060 10.835 1.00 1.24 C ATOM 192 OE1 GLN A 12 -6.356 -8.595 9.954 1.00 1.80 O ATOM 193 NE2 GLN A 12 -5.029 -8.761 11.752 1.00 2.07 N ATOM 0 H GLN A 12 -6.282 -4.379 10.705 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.827 -4.472 13.582 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.330 -6.443 12.678 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.044 -6.572 13.019 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.480 -6.089 10.566 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -4.751 -6.202 10.300 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -4.479 -8.282 12.465 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -5.078 -9.780 11.745 1.00 2.07 H new ATOM 202 N TYR A 13 -4.070 -2.677 13.076 1.00 0.37 N ATOM 203 CA TYR A 13 -3.013 -1.673 12.960 1.00 0.31 C ATOM 204 C TYR A 13 -1.611 -2.161 13.297 1.00 0.32 C ATOM 205 O TYR A 13 -0.641 -1.468 12.980 1.00 0.32 O ATOM 206 CB TYR A 13 -3.355 -0.463 13.835 1.00 0.35 C ATOM 207 CG TYR A 13 -3.640 -0.813 15.282 1.00 0.53 C ATOM 208 CD1 TYR A 13 -2.613 -0.898 16.215 1.00 0.70 C ATOM 209 CD2 TYR A 13 -4.937 -1.056 15.713 1.00 0.86 C ATOM 210 CE1 TYR A 13 -2.873 -1.217 17.536 1.00 0.98 C ATOM 211 CE2 TYR A 13 -5.205 -1.375 17.029 1.00 1.12 C ATOM 212 CZ TYR A 13 -4.170 -1.455 17.937 1.00 1.14 C ATOM 213 OH TYR A 13 -4.438 -1.768 19.252 1.00 1.44 O ATOM 0 H TYR A 13 -4.878 -2.336 13.597 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.983 -1.410 11.903 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.527 0.245 13.799 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -4.225 0.042 13.415 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -1.596 -0.712 15.904 1.00 0.70 H new ATOM 0 HD2 TYR A 13 -5.751 -0.994 15.006 1.00 0.86 H new ATOM 0 HE1 TYR A 13 -2.064 -1.279 18.249 1.00 0.98 H new ATOM 0 HE2 TYR A 13 -6.220 -1.561 17.346 1.00 1.12 H new ATOM 0 HH TYR A 13 -5.402 -1.904 19.366 1.00 1.44 H new ATOM 223 N GLY A 14 -1.487 -3.303 13.962 1.00 0.35 N ATOM 224 CA GLY A 14 -0.184 -3.909 14.112 1.00 0.38 C ATOM 225 C GLY A 14 0.484 -4.025 12.761 1.00 0.35 C ATOM 226 O GLY A 14 1.484 -3.369 12.500 1.00 0.36 O ATOM 0 H GLY A 14 -2.257 -3.813 14.394 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.432 -3.309 14.782 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.281 -4.895 14.566 1.00 0.38 H new ATOM 230 N ILE A 15 -0.140 -4.782 11.870 1.00 0.37 N ATOM 231 CA ILE A 15 0.348 -4.949 10.507 1.00 0.40 C ATOM 232 C ILE A 15 0.531 -3.605 9.822 1.00 0.30 C ATOM 233 O ILE A 15 1.417 -3.430 8.990 1.00 0.29 O ATOM 234 CB ILE A 15 -0.653 -5.782 9.687 1.00 0.54 C ATOM 235 CG1 ILE A 15 -0.856 -7.144 10.342 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.203 -5.926 8.240 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.291 -7.432 10.675 1.00 0.75 C ATOM 0 H ILE A 15 -0.997 -5.297 12.070 1.00 0.37 H new ATOM 0 HA ILE A 15 1.310 -5.458 10.561 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.608 -5.257 9.673 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -0.482 -7.920 9.675 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -0.261 -7.194 11.254 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -0.933 -6.520 7.689 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.120 -4.939 7.785 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.767 -6.422 8.208 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.367 -8.416 11.138 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -2.663 -6.676 11.366 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -2.887 -7.414 9.763 1.00 0.75 H new ATOM 249 N ARG A 16 -0.268 -2.645 10.226 1.00 0.25 N ATOM 250 CA ARG A 16 -0.373 -1.398 9.508 1.00 0.19 C ATOM 251 C ARG A 16 0.809 -0.502 9.800 1.00 0.20 C ATOM 252 O ARG A 16 1.419 0.034 8.886 1.00 0.22 O ATOM 253 CB ARG A 16 -1.657 -0.687 9.874 1.00 0.16 C ATOM 254 CG ARG A 16 -2.151 0.225 8.776 1.00 0.14 C ATOM 255 CD ARG A 16 -2.579 1.560 9.327 1.00 0.12 C ATOM 256 NE ARG A 16 -3.691 1.451 10.262 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.784 2.138 11.401 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.803 2.946 11.786 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.853 1.999 12.166 1.00 0.31 N ATOM 0 H ARG A 16 -0.859 -2.706 11.055 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.380 -1.625 8.442 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.425 -1.426 10.100 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.499 -0.104 10.781 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.362 0.370 8.038 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.989 -0.244 8.260 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.733 2.030 9.828 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.865 2.214 8.503 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.448 0.807 10.030 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -1.968 3.046 11.209 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -2.884 3.467 12.659 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.603 1.368 11.884 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.928 2.523 13.038 1.00 0.31 H new ATOM 273 N ILE A 17 1.128 -0.340 11.078 1.00 0.22 N ATOM 274 CA ILE A 17 2.279 0.455 11.482 1.00 0.25 C ATOM 275 C ILE A 17 3.547 -0.335 11.225 1.00 0.29 C ATOM 276 O ILE A 17 4.621 0.231 11.050 1.00 0.31 O ATOM 277 CB ILE A 17 2.214 0.861 12.969 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.201 -0.383 13.865 1.00 0.35 C ATOM 279 CG2 ILE A 17 0.987 1.725 13.226 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.245 -0.069 15.346 1.00 0.56 C ATOM 0 H ILE A 17 0.605 -0.749 11.852 1.00 0.22 H new ATOM 0 HA ILE A 17 2.275 1.372 10.893 1.00 0.25 H new ATOM 0 HB ILE A 17 3.102 1.444 13.211 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.303 -0.963 13.652 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.054 -1.012 13.611 1.00 0.35 H new ATOM 0 HG21 ILE A 17 0.953 2.005 14.279 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.041 2.625 12.613 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.088 1.165 12.970 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.233 -0.998 15.915 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.156 0.484 15.574 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.378 0.533 15.616 1.00 0.56 H new ATOM 292 N LEU A 18 3.400 -1.651 11.213 1.00 0.32 N ATOM 293 CA LEU A 18 4.459 -2.540 10.782 1.00 0.37 C ATOM 294 C LEU A 18 4.856 -2.209 9.346 1.00 0.33 C ATOM 295 O LEU A 18 5.960 -1.728 9.102 1.00 0.32 O ATOM 296 CB LEU A 18 3.993 -3.993 10.927 1.00 0.44 C ATOM 297 CG LEU A 18 4.633 -5.016 9.989 1.00 0.49 C ATOM 298 CD1 LEU A 18 6.141 -5.059 10.172 1.00 0.53 C ATOM 299 CD2 LEU A 18 4.034 -6.389 10.234 1.00 0.58 C ATOM 0 H LEU A 18 2.546 -2.128 11.501 1.00 0.32 H new ATOM 0 HA LEU A 18 5.342 -2.406 11.407 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.179 -4.309 11.953 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.914 -4.021 10.776 1.00 0.44 H new ATOM 0 HG LEU A 18 4.428 -4.714 8.962 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.569 -5.795 9.492 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.562 -4.077 9.955 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.375 -5.335 11.200 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.495 -7.112 9.562 1.00 0.58 H new ATOM 0 HD22 LEU A 18 4.216 -6.686 11.267 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.960 -6.356 10.050 1.00 0.58 H new ATOM 311 N LEU A 19 3.939 -2.438 8.410 1.00 0.30 N ATOM 312 CA LEU A 19 4.151 -2.080 7.009 1.00 0.27 C ATOM 313 C LEU A 19 4.531 -0.610 6.897 1.00 0.22 C ATOM 314 O LEU A 19 5.456 -0.252 6.168 1.00 0.22 O ATOM 315 CB LEU A 19 2.872 -2.307 6.201 1.00 0.31 C ATOM 316 CG LEU A 19 2.307 -3.724 6.219 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.984 -3.753 5.472 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.295 -4.707 5.606 1.00 1.15 C ATOM 0 H LEU A 19 3.036 -2.873 8.598 1.00 0.30 H new ATOM 0 HA LEU A 19 4.952 -2.707 6.618 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.106 -1.628 6.574 1.00 0.31 H new ATOM 0 HB3 LEU A 19 3.067 -2.029 5.165 1.00 0.31 H new ATOM 0 HG LEU A 19 2.137 -4.025 7.253 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.581 -4.766 5.485 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.279 -3.075 5.954 1.00 1.23 H new ATOM 0 HD13 LEU A 19 1.142 -3.439 4.440 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.871 -5.711 5.629 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.498 -4.423 4.573 1.00 1.15 H new ATOM 0 HD23 LEU A 19 4.224 -4.692 6.176 1.00 1.15 H new ATOM 330 N ASN A 20 3.814 0.221 7.650 1.00 0.20 N ATOM 331 CA ASN A 20 4.030 1.662 7.667 1.00 0.19 C ATOM 332 C ASN A 20 5.497 1.965 7.883 1.00 0.21 C ATOM 333 O ASN A 20 6.163 2.458 6.981 1.00 0.22 O ATOM 334 CB ASN A 20 3.201 2.296 8.795 1.00 0.23 C ATOM 335 CG ASN A 20 3.337 3.802 8.898 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.547 4.547 8.321 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.310 4.260 9.669 1.00 0.50 N ATOM 0 H ASN A 20 3.064 -0.090 8.268 1.00 0.20 H new ATOM 0 HA ASN A 20 3.718 2.078 6.709 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.151 2.047 8.642 1.00 0.23 H new ATOM 0 HB3 ASN A 20 3.499 1.850 9.744 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.425 5.265 9.802 1.00 0.50 H new ATOM 0 HD22 ASN A 20 4.945 3.608 10.130 1.00 0.50 H new ATOM 344 N GLU A 21 5.992 1.619 9.063 1.00 0.24 N ATOM 345 CA GLU A 21 7.371 1.892 9.450 1.00 0.29 C ATOM 346 C GLU A 21 8.346 1.213 8.492 1.00 0.29 C ATOM 347 O GLU A 21 9.352 1.804 8.111 1.00 0.31 O ATOM 348 CB GLU A 21 7.598 1.400 10.888 1.00 0.35 C ATOM 349 CG GLU A 21 8.721 2.100 11.644 1.00 0.92 C ATOM 350 CD GLU A 21 10.106 1.746 11.144 1.00 1.79 C ATOM 351 OE1 GLU A 21 10.444 0.543 11.104 1.00 2.40 O ATOM 352 OE2 GLU A 21 10.875 2.673 10.825 1.00 2.46 O ATOM 0 H GLU A 21 5.448 1.140 9.781 1.00 0.24 H new ATOM 0 HA GLU A 21 7.551 2.966 9.402 1.00 0.29 H new ATOM 0 HB2 GLU A 21 6.671 1.525 11.448 1.00 0.35 H new ATOM 0 HB3 GLU A 21 7.812 0.331 10.860 1.00 0.35 H new ATOM 0 HG2 GLU A 21 8.581 3.178 11.567 1.00 0.92 H new ATOM 0 HG3 GLU A 21 8.650 1.844 12.701 1.00 0.92 H new ATOM 359 N VAL A 22 8.021 -0.014 8.082 1.00 0.28 N ATOM 360 CA VAL A 22 8.887 -0.775 7.186 1.00 0.30 C ATOM 361 C VAL A 22 9.199 0.010 5.910 1.00 0.28 C ATOM 362 O VAL A 22 10.362 0.329 5.648 1.00 0.34 O ATOM 363 CB VAL A 22 8.283 -2.160 6.825 1.00 0.32 C ATOM 364 CG1 VAL A 22 9.027 -2.777 5.653 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.349 -3.099 8.018 1.00 0.37 C ATOM 0 H VAL A 22 7.167 -0.499 8.356 1.00 0.28 H new ATOM 0 HA VAL A 22 9.818 -0.946 7.727 1.00 0.30 H new ATOM 0 HB VAL A 22 7.240 -2.010 6.547 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.590 -3.747 5.414 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.949 -2.121 4.786 1.00 0.36 H new ATOM 0 HG13 VAL A 22 10.077 -2.907 5.916 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.921 -4.064 7.746 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.388 -3.234 8.317 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.785 -2.673 8.848 1.00 0.37 H new ATOM 375 N PHE A 23 8.170 0.366 5.143 1.00 0.23 N ATOM 376 CA PHE A 23 8.389 1.074 3.891 1.00 0.22 C ATOM 377 C PHE A 23 8.843 2.478 4.194 1.00 0.21 C ATOM 378 O PHE A 23 9.722 3.019 3.526 1.00 0.23 O ATOM 379 CB PHE A 23 7.119 1.176 3.045 1.00 0.21 C ATOM 380 CG PHE A 23 6.214 -0.019 3.088 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.708 -1.298 2.926 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.853 0.149 3.284 1.00 0.27 C ATOM 383 CE1 PHE A 23 5.863 -2.388 2.960 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.004 -0.935 3.315 1.00 0.35 C ATOM 385 CZ PHE A 23 4.512 -2.205 3.154 1.00 0.41 C ATOM 0 H PHE A 23 7.192 0.178 5.365 1.00 0.23 H new ATOM 0 HA PHE A 23 9.136 0.511 3.332 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.555 2.049 3.373 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.407 1.354 2.009 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.766 -1.447 2.771 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.452 1.143 3.414 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.261 -3.384 2.835 1.00 0.43 H new ATOM 0 HE2 PHE A 23 2.944 -0.790 3.465 1.00 0.35 H new ATOM 0 HZ PHE A 23 3.850 -3.058 3.180 1.00 0.41 H new ATOM 395 N ASN A 24 8.222 3.059 5.218 1.00 0.19 N ATOM 396 CA ASN A 24 8.451 4.447 5.578 1.00 0.19 C ATOM 397 C ASN A 24 9.943 4.687 5.732 1.00 0.24 C ATOM 398 O ASN A 24 10.533 5.545 5.069 1.00 0.24 O ATOM 399 CB ASN A 24 7.728 4.775 6.899 1.00 0.21 C ATOM 400 CG ASN A 24 7.570 6.262 7.139 1.00 0.23 C ATOM 401 OD1 ASN A 24 8.502 6.937 7.574 1.00 0.28 O ATOM 402 ND2 ASN A 24 6.365 6.772 6.921 1.00 0.26 N ATOM 0 H ASN A 24 7.550 2.579 5.816 1.00 0.19 H new ATOM 0 HA ASN A 24 8.058 5.093 4.793 1.00 0.19 H new ATOM 0 HB2 ASN A 24 6.743 4.308 6.892 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.283 4.337 7.728 1.00 0.21 H new ATOM 0 HD21 ASN A 24 6.185 7.757 7.115 1.00 0.26 H new ATOM 0 HD22 ASN A 24 5.618 6.179 6.559 1.00 0.26 H new ATOM 409 N LYS A 25 10.537 3.836 6.552 1.00 0.32 N ATOM 410 CA LYS A 25 11.950 3.896 6.889 1.00 0.41 C ATOM 411 C LYS A 25 12.835 3.731 5.661 1.00 0.41 C ATOM 412 O LYS A 25 13.814 4.462 5.499 1.00 0.47 O ATOM 413 CB LYS A 25 12.254 2.808 7.921 1.00 0.51 C ATOM 414 CG LYS A 25 13.720 2.472 8.086 1.00 0.59 C ATOM 415 CD LYS A 25 14.013 1.145 7.410 1.00 1.02 C ATOM 416 CE LYS A 25 13.286 -0.002 8.098 1.00 2.32 C ATOM 417 NZ LYS A 25 13.686 -0.140 9.522 1.00 3.25 N ATOM 0 H LYS A 25 10.042 3.071 7.010 1.00 0.32 H new ATOM 0 HA LYS A 25 12.169 4.879 7.305 1.00 0.41 H new ATOM 0 HB2 LYS A 25 11.859 3.124 8.886 1.00 0.51 H new ATOM 0 HB3 LYS A 25 11.719 1.901 7.639 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.336 3.259 7.650 1.00 0.59 H new ATOM 0 HG3 LYS A 25 13.975 2.418 9.144 1.00 0.59 H new ATOM 0 HD2 LYS A 25 13.711 1.194 6.364 1.00 1.02 H new ATOM 0 HD3 LYS A 25 15.087 0.957 7.424 1.00 1.02 H new ATOM 0 HE2 LYS A 25 12.210 0.163 8.038 1.00 2.32 H new ATOM 0 HE3 LYS A 25 13.496 -0.933 7.571 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 13.390 -1.072 9.877 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 14.719 -0.051 9.603 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 13.229 0.606 10.085 1.00 3.25 H new ATOM 431 N GLU A 26 12.496 2.789 4.785 1.00 0.42 N ATOM 432 CA GLU A 26 13.338 2.522 3.628 1.00 0.53 C ATOM 433 C GLU A 26 13.062 3.517 2.503 1.00 0.45 C ATOM 434 O GLU A 26 13.517 3.347 1.372 1.00 0.66 O ATOM 435 CB GLU A 26 13.219 1.066 3.169 1.00 0.91 C ATOM 436 CG GLU A 26 11.895 0.673 2.554 1.00 0.40 C ATOM 437 CD GLU A 26 11.778 -0.832 2.426 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.200 -1.377 1.388 1.00 1.45 O ATOM 439 OE2 GLU A 26 11.222 -1.470 3.348 1.00 1.43 O ATOM 0 H GLU A 26 11.660 2.209 4.853 1.00 0.42 H new ATOM 0 HA GLU A 26 14.376 2.666 3.928 1.00 0.53 H new ATOM 0 HB2 GLU A 26 14.008 0.869 2.443 1.00 0.91 H new ATOM 0 HB3 GLU A 26 13.406 0.419 4.026 1.00 0.91 H new ATOM 0 HG2 GLU A 26 11.078 1.053 3.168 1.00 0.40 H new ATOM 0 HG3 GLU A 26 11.796 1.133 1.571 1.00 0.40 H new ATOM 446 N GLY A 27 12.345 4.583 2.834 1.00 0.38 N ATOM 447 CA GLY A 27 12.203 5.681 1.911 1.00 0.44 C ATOM 448 C GLY A 27 10.794 6.222 1.833 1.00 0.37 C ATOM 449 O GLY A 27 10.595 7.403 1.560 1.00 0.44 O ATOM 0 H GLY A 27 11.862 4.703 3.724 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.877 6.485 2.208 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.514 5.354 0.919 1.00 0.44 H new ATOM 453 N TYR A 28 9.815 5.395 2.135 1.00 0.26 N ATOM 454 CA TYR A 28 8.443 5.725 1.796 1.00 0.24 C ATOM 455 C TYR A 28 7.837 6.730 2.749 1.00 0.24 C ATOM 456 O TYR A 28 8.201 6.817 3.920 1.00 0.41 O ATOM 457 CB TYR A 28 7.564 4.483 1.777 1.00 0.25 C ATOM 458 CG TYR A 28 7.442 3.809 0.436 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.568 4.284 -0.530 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.231 2.707 0.126 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.475 3.674 -1.766 1.00 0.78 C ATOM 462 CE2 TYR A 28 8.148 2.093 -1.111 1.00 0.77 C ATOM 463 CZ TYR A 28 7.167 2.547 -2.026 1.00 0.87 C ATOM 464 OH TYR A 28 7.189 1.985 -3.284 1.00 1.07 O ATOM 0 H TYR A 28 9.939 4.500 2.608 1.00 0.26 H new ATOM 0 HA TYR A 28 8.482 6.168 0.801 1.00 0.24 H new ATOM 0 HB2 TYR A 28 7.962 3.764 2.493 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.567 4.757 2.121 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.951 5.143 -0.313 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.921 2.324 0.864 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.843 4.103 -2.529 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.816 1.286 -1.373 1.00 0.77 H new ATOM 0 HH TYR A 28 8.050 2.174 -3.712 1.00 1.07 H new ATOM 474 N GLN A 29 6.923 7.506 2.224 1.00 0.17 N ATOM 475 CA GLN A 29 6.056 8.308 3.041 1.00 0.16 C ATOM 476 C GLN A 29 4.748 7.580 3.200 1.00 0.12 C ATOM 477 O GLN A 29 3.800 7.813 2.457 1.00 0.13 O ATOM 478 CB GLN A 29 5.818 9.662 2.399 1.00 0.24 C ATOM 479 CG GLN A 29 7.095 10.394 2.046 1.00 0.30 C ATOM 480 CD GLN A 29 6.923 11.251 0.815 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.538 12.418 0.892 1.00 1.14 O ATOM 482 NE2 GLN A 29 7.205 10.669 -0.334 1.00 0.53 N ATOM 0 H GLN A 29 6.761 7.598 1.221 1.00 0.17 H new ATOM 0 HA GLN A 29 6.519 8.472 4.014 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.224 9.528 1.495 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.230 10.279 3.078 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.401 11.019 2.885 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.894 9.672 1.879 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.521 9.699 -0.350 1.00 0.53 H new ATOM 0 HE22 GLN A 29 7.107 11.188 -1.206 1.00 0.53 H new ATOM 491 N THR A 30 4.723 6.655 4.126 1.00 0.11 N ATOM 492 CA THR A 30 3.564 5.824 4.315 1.00 0.10 C ATOM 493 C THR A 30 2.648 6.443 5.363 1.00 0.10 C ATOM 494 O THR A 30 3.123 6.969 6.371 1.00 0.14 O ATOM 495 CB THR A 30 3.984 4.412 4.749 1.00 0.11 C ATOM 496 OG1 THR A 30 4.425 4.422 6.108 1.00 0.14 O ATOM 497 CG2 THR A 30 5.121 3.891 3.896 1.00 0.12 C ATOM 0 H THR A 30 5.496 6.459 4.762 1.00 0.11 H new ATOM 0 HA THR A 30 3.026 5.751 3.370 1.00 0.10 H new ATOM 0 HB THR A 30 3.113 3.767 4.633 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.018 3.658 6.265 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.396 2.890 4.228 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.806 3.854 2.853 1.00 0.12 H new ATOM 0 HG23 THR A 30 5.981 4.554 3.992 1.00 0.12 H new ATOM 505 N PHE A 31 1.347 6.409 5.122 1.00 0.09 N ATOM 506 CA PHE A 31 0.409 6.935 6.080 1.00 0.09 C ATOM 507 C PHE A 31 -0.658 5.920 6.376 1.00 0.10 C ATOM 508 O PHE A 31 -1.511 5.587 5.552 1.00 0.19 O ATOM 509 CB PHE A 31 -0.193 8.256 5.642 1.00 0.11 C ATOM 510 CG PHE A 31 0.605 9.438 6.116 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.802 9.776 5.505 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.168 10.196 7.189 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.548 10.847 5.957 1.00 0.26 C ATOM 514 CE2 PHE A 31 0.908 11.271 7.643 1.00 0.34 C ATOM 515 CZ PHE A 31 2.101 11.596 7.026 1.00 0.30 C ATOM 0 H PHE A 31 0.926 6.024 4.276 1.00 0.09 H new ATOM 0 HA PHE A 31 0.961 7.141 6.997 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.259 8.279 4.554 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.211 8.332 6.024 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.156 9.195 4.666 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.762 9.944 7.677 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.481 11.098 5.474 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.554 11.856 8.479 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.682 12.435 7.380 1.00 0.30 H new ATOM 525 N GLN A 32 -0.523 5.403 7.556 1.00 0.12 N ATOM 526 CA GLN A 32 -1.404 4.412 8.114 1.00 0.10 C ATOM 527 C GLN A 32 -2.865 4.905 8.208 1.00 0.09 C ATOM 528 O GLN A 32 -3.163 5.901 8.869 1.00 0.12 O ATOM 529 CB GLN A 32 -0.847 4.077 9.492 1.00 0.12 C ATOM 530 CG GLN A 32 -0.308 5.295 10.222 1.00 0.14 C ATOM 531 CD GLN A 32 0.429 4.937 11.493 1.00 0.18 C ATOM 532 OE1 GLN A 32 -0.159 4.844 12.568 1.00 0.22 O ATOM 533 NE2 GLN A 32 1.730 4.736 11.373 1.00 0.19 N ATOM 0 H GLN A 32 0.233 5.667 8.187 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.440 3.533 7.470 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.631 3.616 10.093 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.051 3.340 9.387 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.363 5.842 9.560 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -1.134 5.964 10.462 1.00 0.14 H new ATOM 0 HE21 GLN A 32 2.178 4.824 10.461 1.00 0.19 H new ATOM 0 HE22 GLN A 32 2.286 4.493 12.193 1.00 0.19 H new ATOM 542 N ALA A 33 -3.759 4.179 7.547 1.00 0.09 N ATOM 543 CA ALA A 33 -5.203 4.416 7.613 1.00 0.08 C ATOM 544 C ALA A 33 -5.889 3.139 8.032 1.00 0.11 C ATOM 545 O ALA A 33 -5.624 2.089 7.480 1.00 0.23 O ATOM 546 CB ALA A 33 -5.742 4.882 6.263 1.00 0.10 C ATOM 0 H ALA A 33 -3.502 3.399 6.942 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.402 5.202 8.342 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.816 5.051 6.339 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.248 5.810 5.975 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.547 4.118 5.510 1.00 0.10 H new ATOM 552 N ALA A 34 -6.745 3.210 9.025 1.00 0.09 N ATOM 553 CA ALA A 34 -7.440 2.018 9.472 1.00 0.10 C ATOM 554 C ALA A 34 -8.745 1.845 8.727 1.00 0.12 C ATOM 555 O ALA A 34 -9.398 0.810 8.829 1.00 0.18 O ATOM 556 CB ALA A 34 -7.691 2.068 10.959 1.00 0.14 C ATOM 0 H ALA A 34 -6.977 4.063 9.533 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.803 1.160 9.258 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.213 1.163 11.270 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.740 2.138 11.486 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.302 2.939 11.196 1.00 0.14 H new ATOM 562 N ASN A 35 -9.123 2.863 7.976 1.00 0.10 N ATOM 563 CA ASN A 35 -10.390 2.840 7.286 1.00 0.13 C ATOM 564 C ASN A 35 -10.332 3.605 5.983 1.00 0.10 C ATOM 565 O ASN A 35 -9.419 4.387 5.752 1.00 0.08 O ATOM 566 CB ASN A 35 -11.498 3.374 8.195 1.00 0.17 C ATOM 567 CG ASN A 35 -11.086 4.646 8.902 1.00 0.20 C ATOM 568 OD1 ASN A 35 -10.354 4.609 9.889 1.00 0.29 O ATOM 569 ND2 ASN A 35 -11.575 5.775 8.435 1.00 0.19 N ATOM 0 H ASN A 35 -8.572 3.709 7.832 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.618 1.804 7.035 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.394 3.562 7.603 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.758 2.616 8.934 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -11.350 6.657 8.895 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -12.179 5.768 7.613 1.00 0.19 H new ATOM 576 N GLY A 36 -11.330 3.371 5.146 1.00 0.12 N ATOM 577 CA GLY A 36 -11.361 3.927 3.801 1.00 0.14 C ATOM 578 C GLY A 36 -11.566 5.417 3.766 1.00 0.11 C ATOM 579 O GLY A 36 -11.224 6.078 2.791 1.00 0.13 O ATOM 0 H GLY A 36 -12.138 2.793 5.377 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.425 3.686 3.296 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -12.160 3.446 3.237 1.00 0.14 H new ATOM 583 N LEU A 37 -12.123 5.949 4.825 1.00 0.11 N ATOM 584 CA LEU A 37 -12.352 7.378 4.912 1.00 0.13 C ATOM 585 C LEU A 37 -11.091 8.044 5.325 1.00 0.10 C ATOM 586 O LEU A 37 -10.718 9.104 4.830 1.00 0.11 O ATOM 587 CB LEU A 37 -13.376 7.691 5.965 1.00 0.17 C ATOM 588 CG LEU A 37 -14.826 7.310 5.652 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.213 7.778 4.259 1.00 0.27 C ATOM 590 CD2 LEU A 37 -15.041 5.813 5.798 1.00 0.28 C ATOM 0 H LEU A 37 -12.428 5.418 5.641 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.697 7.726 3.938 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -13.083 7.185 6.885 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.342 8.762 6.165 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.471 7.812 6.374 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.247 7.498 4.055 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.112 8.862 4.198 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.559 7.311 3.523 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -16.079 5.571 5.570 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.384 5.282 5.109 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.814 5.511 6.820 1.00 0.28 H new ATOM 602 N GLN A 38 -10.455 7.391 6.263 1.00 0.10 N ATOM 603 CA GLN A 38 -9.170 7.790 6.710 1.00 0.11 C ATOM 604 C GLN A 38 -8.283 7.710 5.507 1.00 0.10 C ATOM 605 O GLN A 38 -7.515 8.603 5.239 1.00 0.15 O ATOM 606 CB GLN A 38 -8.716 6.841 7.813 1.00 0.19 C ATOM 607 CG GLN A 38 -7.271 6.988 8.204 1.00 0.36 C ATOM 608 CD GLN A 38 -7.073 7.759 9.489 1.00 0.67 C ATOM 609 OE1 GLN A 38 -7.834 8.667 9.814 1.00 0.99 O ATOM 610 NE2 GLN A 38 -6.050 7.383 10.236 1.00 1.29 N ATOM 0 H GLN A 38 -10.826 6.565 6.733 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.153 8.797 7.126 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.337 7.004 8.694 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -8.889 5.815 7.487 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.829 5.998 8.311 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.734 7.492 7.400 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -5.444 6.623 9.926 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -5.866 7.852 11.123 1.00 1.29 H new ATOM 619 N ALA A 39 -8.517 6.658 4.728 1.00 0.10 N ATOM 620 CA ALA A 39 -7.785 6.414 3.501 1.00 0.12 C ATOM 621 C ALA A 39 -7.959 7.558 2.519 1.00 0.11 C ATOM 622 O ALA A 39 -6.994 8.043 1.930 1.00 0.13 O ATOM 623 CB ALA A 39 -8.205 5.103 2.860 1.00 0.14 C ATOM 0 H ALA A 39 -9.223 5.952 4.935 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.729 6.345 3.763 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.638 4.949 1.942 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -8.009 4.282 3.550 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -9.269 5.136 2.628 1.00 0.14 H new ATOM 629 N LEU A 40 -9.201 7.980 2.355 1.00 0.11 N ATOM 630 CA LEU A 40 -9.533 9.115 1.519 1.00 0.12 C ATOM 631 C LEU A 40 -8.762 10.338 1.985 1.00 0.13 C ATOM 632 O LEU A 40 -8.136 11.044 1.195 1.00 0.17 O ATOM 633 CB LEU A 40 -11.033 9.378 1.629 1.00 0.13 C ATOM 634 CG LEU A 40 -11.726 9.777 0.327 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.415 11.222 -0.042 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.306 8.848 -0.800 1.00 0.19 C ATOM 0 H LEU A 40 -10.008 7.542 2.800 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.267 8.905 0.483 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.515 8.480 2.017 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.193 10.168 2.363 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.802 9.689 0.479 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.922 11.477 -0.973 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.761 11.883 0.753 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.339 11.341 -0.170 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.807 9.144 -1.721 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.227 8.909 -0.939 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.582 7.824 -0.549 1.00 0.19 H new ATOM 648 N ASP A 41 -8.811 10.548 3.287 1.00 0.12 N ATOM 649 CA ASP A 41 -8.137 11.652 3.945 1.00 0.13 C ATOM 650 C ASP A 41 -6.620 11.543 3.799 1.00 0.09 C ATOM 651 O ASP A 41 -5.931 12.548 3.633 1.00 0.11 O ATOM 652 CB ASP A 41 -8.546 11.655 5.416 1.00 0.20 C ATOM 653 CG ASP A 41 -7.636 12.486 6.302 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.845 13.717 6.394 1.00 0.87 O ATOM 655 OD2 ASP A 41 -6.728 11.911 6.935 1.00 1.32 O ATOM 0 H ASP A 41 -9.329 9.947 3.928 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.432 12.591 3.476 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.565 12.034 5.500 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.557 10.629 5.783 1.00 0.20 H new ATOM 660 N ILE A 42 -6.104 10.324 3.829 1.00 0.10 N ATOM 661 CA ILE A 42 -4.675 10.109 3.691 1.00 0.10 C ATOM 662 C ILE A 42 -4.210 10.526 2.301 1.00 0.10 C ATOM 663 O ILE A 42 -3.223 11.239 2.163 1.00 0.13 O ATOM 664 CB ILE A 42 -4.256 8.647 3.874 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.852 7.981 5.124 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.745 8.568 3.908 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.578 8.686 6.426 1.00 0.12 C ATOM 0 H ILE A 42 -6.653 9.472 3.947 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.218 10.709 4.477 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.655 8.092 3.025 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.931 7.903 4.993 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.465 6.964 5.193 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.438 7.530 4.038 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.339 8.952 2.972 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.368 9.165 4.739 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.042 8.134 7.243 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.502 8.741 6.590 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.991 9.694 6.388 1.00 0.12 H new ATOM 679 N VAL A 43 -4.909 10.051 1.266 1.00 0.11 N ATOM 680 CA VAL A 43 -4.602 10.462 -0.105 1.00 0.12 C ATOM 681 C VAL A 43 -4.737 11.965 -0.206 1.00 0.12 C ATOM 682 O VAL A 43 -3.910 12.654 -0.769 1.00 0.15 O ATOM 683 CB VAL A 43 -5.550 9.827 -1.142 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.151 10.232 -2.554 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.578 8.319 -1.010 1.00 0.15 C ATOM 0 H VAL A 43 -5.681 9.390 1.350 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.588 10.128 -0.324 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.555 10.200 -0.945 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -5.833 9.773 -3.270 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.201 11.317 -2.649 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.134 9.896 -2.755 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.255 7.901 -1.755 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.575 7.921 -1.168 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -5.923 8.047 -0.012 1.00 0.15 H new ATOM 695 N THR A 44 -5.783 12.451 0.394 1.00 0.12 N ATOM 696 CA THR A 44 -6.069 13.860 0.451 1.00 0.15 C ATOM 697 C THR A 44 -4.920 14.649 1.112 1.00 0.14 C ATOM 698 O THR A 44 -4.659 15.803 0.766 1.00 0.16 O ATOM 699 CB THR A 44 -7.379 14.007 1.226 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.454 14.282 0.319 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.304 15.056 2.319 1.00 0.19 C ATOM 0 H THR A 44 -6.476 11.871 0.867 1.00 0.12 H new ATOM 0 HA THR A 44 -6.166 14.276 -0.552 1.00 0.15 H new ATOM 0 HB THR A 44 -7.567 13.059 1.730 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.291 14.373 0.821 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.263 15.115 2.834 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.526 14.784 3.032 1.00 0.19 H new ATOM 0 HG23 THR A 44 -7.069 16.025 1.878 1.00 0.19 H new ATOM 709 N LYS A 45 -4.227 14.002 2.040 1.00 0.13 N ATOM 710 CA LYS A 45 -3.169 14.631 2.809 1.00 0.14 C ATOM 711 C LYS A 45 -1.802 14.467 2.126 1.00 0.13 C ATOM 712 O LYS A 45 -1.077 15.443 1.940 1.00 0.15 O ATOM 713 CB LYS A 45 -3.204 14.027 4.224 1.00 0.19 C ATOM 714 CG LYS A 45 -1.866 13.614 4.813 1.00 0.39 C ATOM 715 CD LYS A 45 -1.057 14.803 5.302 1.00 1.12 C ATOM 716 CE LYS A 45 0.038 14.355 6.257 1.00 1.54 C ATOM 717 NZ LYS A 45 0.893 15.489 6.695 1.00 2.42 N ATOM 0 H LYS A 45 -4.386 13.023 2.279 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.328 15.707 2.872 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.663 14.753 4.895 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -3.855 13.153 4.207 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.034 12.926 5.642 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.293 13.072 4.061 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -0.614 15.322 4.452 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -1.714 15.514 5.803 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -0.413 13.883 7.130 1.00 1.54 H new ATOM 0 HE3 LYS A 45 0.657 13.601 5.771 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 1.626 15.140 7.345 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 1.344 15.924 5.865 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 0.308 16.197 7.182 1.00 2.42 H new ATOM 731 N GLU A 46 -1.454 13.241 1.750 1.00 0.13 N ATOM 732 CA GLU A 46 -0.163 12.969 1.126 1.00 0.13 C ATOM 733 C GLU A 46 -0.280 12.703 -0.361 1.00 0.13 C ATOM 734 O GLU A 46 0.591 13.096 -1.135 1.00 0.16 O ATOM 735 CB GLU A 46 0.509 11.775 1.801 1.00 0.13 C ATOM 736 CG GLU A 46 1.116 12.133 3.139 1.00 0.19 C ATOM 737 CD GLU A 46 2.060 13.321 3.049 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.708 13.493 2.000 1.00 0.54 O ATOM 739 OE2 GLU A 46 2.158 14.092 4.030 1.00 0.63 O ATOM 0 H GLU A 46 -2.047 12.420 1.866 1.00 0.13 H new ATOM 0 HA GLU A 46 0.444 13.865 1.256 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.224 10.980 1.939 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.287 11.382 1.146 1.00 0.13 H new ATOM 0 HG2 GLU A 46 0.319 12.359 3.847 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.657 11.272 3.531 1.00 0.19 H new ATOM 746 N ARG A 47 -1.360 12.044 -0.746 1.00 0.13 N ATOM 747 CA ARG A 47 -1.517 11.535 -2.102 1.00 0.15 C ATOM 748 C ARG A 47 -0.449 10.497 -2.403 1.00 0.12 C ATOM 749 O ARG A 47 0.434 10.723 -3.235 1.00 0.15 O ATOM 750 CB ARG A 47 -1.489 12.660 -3.148 1.00 0.20 C ATOM 751 CG ARG A 47 -2.840 13.315 -3.357 1.00 0.73 C ATOM 752 CD ARG A 47 -2.781 14.484 -4.323 1.00 1.00 C ATOM 753 NE ARG A 47 -4.124 14.886 -4.731 1.00 1.88 N ATOM 754 CZ ARG A 47 -4.569 16.139 -4.742 1.00 2.63 C ATOM 755 NH1 ARG A 47 -3.762 17.137 -4.408 1.00 2.81 N ATOM 756 NH2 ARG A 47 -5.824 16.395 -5.099 1.00 3.66 N ATOM 0 H ARG A 47 -2.150 11.846 -0.132 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.498 11.063 -2.163 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.769 13.418 -2.838 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.138 12.256 -4.097 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.544 12.573 -3.733 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.224 13.661 -2.397 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.272 15.325 -3.853 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -2.197 14.208 -5.201 1.00 1.00 H new ATOM 0 HE ARG A 47 -4.767 14.153 -5.029 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -2.796 16.945 -4.142 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -4.107 18.097 -4.418 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -6.445 15.630 -5.364 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -6.166 17.356 -5.108 1.00 3.66 H new ATOM 770 N PRO A 48 -0.485 9.354 -1.688 1.00 0.11 N ATOM 771 CA PRO A 48 0.440 8.243 -1.945 1.00 0.11 C ATOM 772 C PRO A 48 0.296 7.712 -3.354 1.00 0.12 C ATOM 773 O PRO A 48 -0.680 8.008 -4.035 1.00 0.21 O ATOM 774 CB PRO A 48 0.010 7.182 -0.925 1.00 0.14 C ATOM 775 CG PRO A 48 -0.607 7.992 0.162 1.00 0.15 C ATOM 776 CD PRO A 48 -1.397 9.047 -0.558 1.00 0.14 C ATOM 0 HA PRO A 48 1.484 8.540 -1.850 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.700 6.475 -1.354 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.859 6.602 -0.564 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.248 7.381 0.798 1.00 0.15 H new ATOM 0 HG3 PRO A 48 0.152 8.435 0.807 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.365 8.679 -0.897 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.588 9.919 0.067 1.00 0.14 H new ATOM 784 N ASP A 49 1.273 6.961 -3.812 1.00 0.11 N ATOM 785 CA ASP A 49 1.118 6.267 -5.075 1.00 0.14 C ATOM 786 C ASP A 49 0.581 4.882 -4.811 1.00 0.13 C ATOM 787 O ASP A 49 -0.354 4.437 -5.459 1.00 0.19 O ATOM 788 CB ASP A 49 2.433 6.172 -5.847 1.00 0.25 C ATOM 789 CG ASP A 49 2.924 7.514 -6.356 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.285 8.368 -5.521 1.00 0.98 O ATOM 791 OD2 ASP A 49 2.939 7.727 -7.589 1.00 0.94 O ATOM 0 H ASP A 49 2.166 6.815 -3.342 1.00 0.11 H new ATOM 0 HA ASP A 49 0.422 6.837 -5.690 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.195 5.734 -5.202 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.303 5.495 -6.692 1.00 0.25 H new ATOM 796 N LEU A 50 1.149 4.228 -3.813 1.00 0.12 N ATOM 797 CA LEU A 50 0.795 2.853 -3.498 1.00 0.12 C ATOM 798 C LEU A 50 -0.027 2.807 -2.219 1.00 0.11 C ATOM 799 O LEU A 50 0.482 3.077 -1.130 1.00 0.12 O ATOM 800 CB LEU A 50 2.057 1.995 -3.337 1.00 0.13 C ATOM 801 CG LEU A 50 2.784 1.608 -4.635 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.560 2.787 -5.201 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.711 0.419 -4.398 1.00 0.20 C ATOM 0 H LEU A 50 1.861 4.629 -3.203 1.00 0.12 H new ATOM 0 HA LEU A 50 0.203 2.452 -4.320 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.758 2.533 -2.699 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.785 1.080 -2.811 1.00 0.13 H new ATOM 0 HG LEU A 50 2.031 1.318 -5.368 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.064 2.484 -6.119 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.873 3.605 -5.418 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.300 3.119 -4.473 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.216 0.160 -5.329 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.452 0.681 -3.643 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.127 -0.434 -4.053 1.00 0.20 H new ATOM 815 N VAL A 51 -1.301 2.482 -2.352 1.00 0.10 N ATOM 816 CA VAL A 51 -2.186 2.421 -1.206 1.00 0.10 C ATOM 817 C VAL A 51 -2.582 0.987 -0.893 1.00 0.10 C ATOM 818 O VAL A 51 -3.367 0.380 -1.606 1.00 0.13 O ATOM 819 CB VAL A 51 -3.455 3.251 -1.439 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.366 3.173 -0.228 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.097 4.691 -1.761 1.00 0.16 C ATOM 0 H VAL A 51 -1.744 2.257 -3.243 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.638 2.835 -0.360 1.00 0.10 H new ATOM 0 HB VAL A 51 -3.991 2.839 -2.294 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.262 3.767 -0.408 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.648 2.135 -0.051 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.843 3.561 0.646 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.009 5.265 -1.923 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.540 5.122 -0.929 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.484 4.721 -2.662 1.00 0.16 H new ATOM 831 N LEU A 52 -2.040 0.452 0.178 1.00 0.11 N ATOM 832 CA LEU A 52 -2.323 -0.911 0.569 1.00 0.11 C ATOM 833 C LEU A 52 -3.669 -0.985 1.250 1.00 0.11 C ATOM 834 O LEU A 52 -3.800 -0.713 2.436 1.00 0.13 O ATOM 835 CB LEU A 52 -1.223 -1.444 1.474 1.00 0.11 C ATOM 836 CG LEU A 52 0.176 -1.263 0.891 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.848 -0.035 1.481 1.00 0.15 C ATOM 838 CD2 LEU A 52 1.023 -2.502 1.124 1.00 0.15 C ATOM 0 H LEU A 52 -1.396 0.944 0.798 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.355 -1.536 -0.323 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.276 -0.937 2.437 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.397 -2.504 1.661 1.00 0.11 H new ATOM 0 HG LEU A 52 0.079 -1.116 -0.185 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.844 0.076 1.052 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.254 0.850 1.253 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.929 -0.149 2.562 1.00 0.15 H new ATOM 0 HD21 LEU A 52 2.015 -2.349 0.700 1.00 0.15 H new ATOM 0 HD22 LEU A 52 1.110 -2.687 2.195 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.552 -3.360 0.645 1.00 0.15 H new ATOM 850 N LEU A 53 -4.665 -1.325 0.470 1.00 0.16 N ATOM 851 CA LEU A 53 -6.026 -1.380 0.936 1.00 0.20 C ATOM 852 C LEU A 53 -6.308 -2.724 1.565 1.00 0.20 C ATOM 853 O LEU A 53 -6.671 -3.669 0.871 1.00 0.19 O ATOM 854 CB LEU A 53 -6.968 -1.178 -0.241 1.00 0.30 C ATOM 855 CG LEU A 53 -7.927 -0.010 -0.127 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.717 -0.098 1.168 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.183 1.304 -0.228 1.00 0.90 C ATOM 0 H LEU A 53 -4.552 -1.573 -0.513 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.178 -0.597 1.678 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.369 -1.045 -1.142 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.550 -2.090 -0.376 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.633 -0.056 -0.956 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.401 0.748 1.235 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.286 -1.027 1.184 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -8.031 -0.078 2.015 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -7.890 2.130 -0.144 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.450 1.370 0.576 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -6.672 1.360 -1.189 1.00 0.90 H new ATOM 869 N ASP A 54 -6.137 -2.831 2.863 1.00 0.28 N ATOM 870 CA ASP A 54 -6.374 -4.098 3.515 1.00 0.35 C ATOM 871 C ASP A 54 -7.849 -4.420 3.483 1.00 0.37 C ATOM 872 O ASP A 54 -8.666 -3.783 4.149 1.00 0.63 O ATOM 873 CB ASP A 54 -5.874 -4.119 4.946 1.00 0.59 C ATOM 874 CG ASP A 54 -6.101 -5.475 5.570 1.00 1.03 C ATOM 875 OD1 ASP A 54 -5.387 -6.423 5.199 1.00 1.33 O ATOM 876 OD2 ASP A 54 -6.950 -5.580 6.492 1.00 1.47 O ATOM 0 H ASP A 54 -5.841 -2.073 3.478 1.00 0.28 H new ATOM 0 HA ASP A 54 -5.812 -4.854 2.967 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -4.812 -3.876 4.969 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -6.389 -3.354 5.528 1.00 0.59 H new ATOM 881 N MET A 55 -8.191 -5.398 2.676 1.00 0.23 N ATOM 882 CA MET A 55 -9.568 -5.793 2.523 1.00 0.29 C ATOM 883 C MET A 55 -9.899 -6.933 3.479 1.00 0.35 C ATOM 884 O MET A 55 -10.899 -7.625 3.282 1.00 0.50 O ATOM 885 CB MET A 55 -9.874 -6.218 1.077 1.00 0.30 C ATOM 886 CG MET A 55 -9.367 -5.256 0.006 1.00 0.32 C ATOM 887 SD MET A 55 -10.245 -5.433 -1.563 1.00 0.70 S ATOM 888 CE MET A 55 -10.026 -7.176 -1.884 1.00 0.94 C ATOM 0 H MET A 55 -7.530 -5.935 2.114 1.00 0.23 H new ATOM 0 HA MET A 55 -10.189 -4.930 2.761 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.434 -7.200 0.901 1.00 0.30 H new ATOM 0 HB3 MET A 55 -10.953 -6.327 0.966 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.474 -4.232 0.364 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.303 -5.428 -0.156 1.00 0.32 H new ATOM 0 HE1 MET A 55 -10.405 -7.413 -2.878 1.00 0.94 H new ATOM 0 HE2 MET A 55 -8.966 -7.425 -1.830 1.00 0.94 H new ATOM 0 HE3 MET A 55 -10.573 -7.755 -1.140 1.00 0.94 H new ATOM 898 N LYS A 56 -9.057 -7.153 4.507 1.00 0.30 N ATOM 899 CA LYS A 56 -9.380 -8.161 5.516 1.00 0.35 C ATOM 900 C LYS A 56 -10.759 -7.903 6.102 1.00 0.34 C ATOM 901 O LYS A 56 -11.620 -8.785 6.112 1.00 0.44 O ATOM 902 CB LYS A 56 -8.406 -8.186 6.694 1.00 0.34 C ATOM 903 CG LYS A 56 -7.002 -8.589 6.349 1.00 0.46 C ATOM 904 CD LYS A 56 -6.968 -9.913 5.648 1.00 0.59 C ATOM 905 CE LYS A 56 -6.465 -9.719 4.256 1.00 1.26 C ATOM 906 NZ LYS A 56 -5.176 -8.968 4.249 1.00 2.24 N ATOM 0 H LYS A 56 -8.176 -6.660 4.653 1.00 0.30 H new ATOM 0 HA LYS A 56 -9.325 -9.114 4.989 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.382 -7.195 7.147 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -8.790 -8.873 7.449 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -6.549 -7.828 5.713 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -6.404 -8.642 7.258 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -6.323 -10.607 6.187 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.965 -10.354 5.629 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -6.327 -10.689 3.778 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -7.208 -9.178 3.670 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -4.667 -9.160 3.363 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -5.368 -7.949 4.324 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -4.593 -9.271 5.056 1.00 2.24 H new ATOM 920 N ILE A 57 -10.954 -6.673 6.581 1.00 0.29 N ATOM 921 CA ILE A 57 -12.127 -6.331 7.374 1.00 0.36 C ATOM 922 C ILE A 57 -12.174 -4.846 7.836 1.00 0.30 C ATOM 923 O ILE A 57 -13.265 -4.388 8.168 1.00 0.40 O ATOM 924 CB ILE A 57 -12.240 -7.255 8.619 1.00 0.51 C ATOM 925 CG1 ILE A 57 -13.564 -7.018 9.357 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.057 -7.045 9.555 1.00 0.90 C ATOM 927 CD1 ILE A 57 -13.746 -7.881 10.588 1.00 2.06 C ATOM 0 H ILE A 57 -10.309 -5.897 6.430 1.00 0.29 H new ATOM 0 HA ILE A 57 -12.975 -6.482 6.706 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.224 -8.289 8.275 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -13.623 -5.969 9.649 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -14.389 -7.204 8.670 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -11.156 -7.701 10.420 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.131 -7.276 9.028 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.036 -6.007 9.888 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -14.705 -7.654 11.053 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -13.721 -8.933 10.302 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -12.943 -7.679 11.296 1.00 2.06 H new ATOM 939 N PRO A 58 -11.032 -4.060 7.874 1.00 0.29 N ATOM 940 CA PRO A 58 -11.010 -2.680 8.401 1.00 0.31 C ATOM 941 C PRO A 58 -12.329 -1.912 8.324 1.00 0.27 C ATOM 942 O PRO A 58 -12.819 -1.423 9.342 1.00 0.33 O ATOM 943 CB PRO A 58 -9.946 -2.041 7.527 1.00 0.40 C ATOM 944 CG PRO A 58 -8.904 -3.100 7.448 1.00 0.45 C ATOM 945 CD PRO A 58 -9.657 -4.414 7.420 1.00 0.45 C ATOM 0 HA PRO A 58 -10.817 -2.668 9.474 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -10.334 -1.781 6.542 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.557 -1.123 7.969 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.291 -2.981 6.554 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.231 -3.052 8.304 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.667 -4.845 6.419 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.197 -5.150 8.080 1.00 0.45 H new ATOM 953 N GLY A 59 -12.916 -1.820 7.142 1.00 0.32 N ATOM 954 CA GLY A 59 -14.178 -1.125 7.020 1.00 0.44 C ATOM 955 C GLY A 59 -14.923 -1.477 5.754 1.00 0.40 C ATOM 956 O GLY A 59 -16.069 -1.924 5.797 1.00 0.47 O ATOM 0 H GLY A 59 -12.547 -2.209 6.275 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.803 -1.363 7.881 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -13.999 -0.050 7.043 1.00 0.44 H new ATOM 960 N MET A 60 -14.264 -1.293 4.630 1.00 0.32 N ATOM 961 CA MET A 60 -14.899 -1.478 3.340 1.00 0.30 C ATOM 962 C MET A 60 -13.908 -2.112 2.377 1.00 0.21 C ATOM 963 O MET A 60 -12.708 -2.140 2.655 1.00 0.18 O ATOM 964 CB MET A 60 -15.390 -0.123 2.806 1.00 0.37 C ATOM 965 CG MET A 60 -16.253 -0.218 1.560 1.00 0.43 C ATOM 966 SD MET A 60 -17.704 -1.257 1.799 1.00 1.82 S ATOM 967 CE MET A 60 -18.550 -0.368 3.105 1.00 2.23 C ATOM 0 H MET A 60 -13.284 -1.014 4.582 1.00 0.32 H new ATOM 0 HA MET A 60 -15.759 -2.139 3.442 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.958 0.379 3.590 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.525 0.503 2.588 1.00 0.37 H new ATOM 0 HG2 MET A 60 -16.572 0.782 1.266 1.00 0.43 H new ATOM 0 HG3 MET A 60 -15.657 -0.617 0.739 1.00 0.43 H new ATOM 0 HE1 MET A 60 -19.587 -0.699 3.158 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.057 -0.564 4.057 1.00 2.23 H new ATOM 0 HE3 MET A 60 -18.521 0.701 2.895 1.00 2.23 H new ATOM 977 N ASP A 61 -14.410 -2.622 1.262 1.00 0.21 N ATOM 978 CA ASP A 61 -13.570 -3.237 0.255 1.00 0.18 C ATOM 979 C ASP A 61 -12.565 -2.245 -0.284 1.00 0.14 C ATOM 980 O ASP A 61 -12.881 -1.072 -0.525 1.00 0.17 O ATOM 981 CB ASP A 61 -14.404 -3.778 -0.905 1.00 0.26 C ATOM 982 CG ASP A 61 -15.078 -5.092 -0.575 1.00 0.48 C ATOM 983 OD1 ASP A 61 -16.185 -5.061 0.005 1.00 0.64 O ATOM 984 OD2 ASP A 61 -14.500 -6.154 -0.884 1.00 0.67 O ATOM 0 H ASP A 61 -15.404 -2.620 1.034 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.045 -4.064 0.734 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.162 -3.043 -1.176 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.763 -3.912 -1.777 1.00 0.26 H new ATOM 989 N GLY A 62 -11.360 -2.738 -0.498 1.00 0.16 N ATOM 990 CA GLY A 62 -10.294 -1.910 -0.998 1.00 0.20 C ATOM 991 C GLY A 62 -10.570 -1.407 -2.383 1.00 0.20 C ATOM 992 O GLY A 62 -9.904 -0.504 -2.866 1.00 0.32 O ATOM 0 H GLY A 62 -11.101 -3.710 -0.331 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.149 -1.063 -0.328 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.364 -2.479 -0.998 1.00 0.20 H new ATOM 996 N ILE A 63 -11.572 -1.984 -3.007 1.00 0.16 N ATOM 997 CA ILE A 63 -11.980 -1.593 -4.333 1.00 0.17 C ATOM 998 C ILE A 63 -12.756 -0.300 -4.278 1.00 0.18 C ATOM 999 O ILE A 63 -12.509 0.622 -5.052 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.862 -2.673 -4.958 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.271 -4.056 -4.701 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -13.020 -2.426 -6.452 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -13.246 -5.176 -4.959 1.00 1.31 C ATOM 0 H ILE A 63 -12.127 -2.740 -2.606 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.084 -1.459 -4.939 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.848 -2.630 -4.495 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.395 -4.193 -5.334 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -11.929 -4.112 -3.668 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.651 -3.203 -6.885 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.482 -1.452 -6.613 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -12.040 -2.446 -6.930 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -12.763 -6.132 -4.758 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -14.112 -5.062 -4.307 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.569 -5.145 -6.000 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.693 -0.241 -3.350 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.450 0.965 -3.121 1.00 0.17 C ATOM 1017 C GLU A 64 -13.493 2.071 -2.734 1.00 0.16 C ATOM 1018 O GLU A 64 -13.571 3.190 -3.237 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.483 0.739 -2.017 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.549 -0.278 -2.383 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.363 0.151 -3.584 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -17.987 1.232 -3.533 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -17.392 -0.599 -4.583 1.00 0.43 O ATOM 0 H GLU A 64 -13.945 -1.021 -2.743 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.984 1.245 -4.029 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -14.971 0.407 -1.114 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -15.964 1.688 -1.781 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.076 -1.238 -2.591 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.213 -0.428 -1.532 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.547 1.730 -1.875 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.579 2.702 -1.405 1.00 0.16 C ATOM 1032 C ILE A 65 -10.634 3.128 -2.517 1.00 0.15 C ATOM 1033 O ILE A 65 -10.348 4.318 -2.677 1.00 0.16 O ATOM 1034 CB ILE A 65 -10.770 2.163 -0.223 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -11.713 1.539 0.793 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -9.975 3.288 0.423 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -12.862 2.446 1.145 1.00 0.69 C ATOM 0 H ILE A 65 -12.430 0.792 -1.492 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.145 3.572 -1.073 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.073 1.405 -0.580 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.103 0.602 0.395 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -11.157 1.294 1.698 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.403 2.894 1.263 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.293 3.719 -0.310 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.659 4.058 0.780 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -13.505 1.953 1.874 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -12.477 3.373 1.570 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -13.437 2.670 0.247 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.167 2.166 -3.301 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.239 2.469 -4.372 1.00 0.22 C ATOM 1051 C LEU A 66 -9.890 3.387 -5.385 1.00 0.16 C ATOM 1052 O LEU A 66 -9.250 4.289 -5.896 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.693 1.191 -5.044 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.620 0.409 -5.987 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.622 1.016 -7.385 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.190 -1.052 -6.052 1.00 1.47 C ATOM 0 H LEU A 66 -10.415 1.180 -3.214 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.383 2.984 -3.936 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.802 1.467 -5.608 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.373 0.511 -4.254 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.634 0.468 -5.590 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -10.287 0.442 -8.030 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -9.969 2.048 -7.333 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.612 0.993 -7.793 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.854 -1.597 -6.723 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -8.167 -1.114 -6.424 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.241 -1.491 -5.056 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.167 3.187 -5.655 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.827 3.977 -6.674 1.00 0.17 C ATOM 1070 C LYS A 67 -12.137 5.373 -6.189 1.00 0.14 C ATOM 1071 O LYS A 67 -12.036 6.310 -6.960 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.091 3.297 -7.193 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.093 2.938 -6.112 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.354 2.356 -6.719 1.00 0.27 C ATOM 1075 CE LYS A 67 -15.042 1.089 -7.494 1.00 0.42 C ATOM 1076 NZ LYS A 67 -16.235 0.572 -8.213 1.00 0.65 N ATOM 0 H LYS A 67 -11.758 2.497 -5.192 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.126 4.058 -7.505 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.573 3.955 -7.916 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.809 2.390 -7.727 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.650 2.219 -5.423 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.340 3.826 -5.530 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.075 2.138 -5.931 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.816 3.088 -7.381 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.245 1.288 -8.210 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.672 0.326 -6.809 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.981 -0.294 -8.730 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.987 0.358 -7.528 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.573 1.290 -8.885 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.497 5.539 -4.928 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.707 6.894 -4.429 1.00 0.14 C ATOM 1092 C ARG A 68 -11.393 7.670 -4.383 1.00 0.12 C ATOM 1093 O ARG A 68 -11.363 8.876 -4.657 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.425 6.910 -3.074 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.911 5.901 -2.072 1.00 0.25 C ATOM 1096 CD ARG A 68 -14.053 5.329 -1.250 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.743 6.347 -0.458 1.00 1.18 N ATOM 1098 CZ ARG A 68 -16.034 6.285 -0.121 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -16.807 5.307 -0.583 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -16.555 7.225 0.656 1.00 2.18 N ATOM 0 H ARG A 68 -12.646 4.790 -4.252 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.368 7.399 -5.133 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.335 7.907 -2.643 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.487 6.728 -3.239 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.393 5.096 -2.593 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -12.184 6.374 -1.413 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.768 4.846 -1.916 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -13.666 4.558 -0.585 1.00 0.37 H new ATOM 0 HE ARG A 68 -14.205 7.154 -0.144 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -16.415 4.596 -1.200 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -17.792 5.268 -0.320 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -15.970 7.990 0.993 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -17.540 7.183 0.917 1.00 2.18 H new ATOM 1114 N MET A 69 -10.293 6.986 -4.087 1.00 0.11 N ATOM 1115 CA MET A 69 -8.998 7.639 -4.132 1.00 0.12 C ATOM 1116 C MET A 69 -8.527 7.742 -5.568 1.00 0.10 C ATOM 1117 O MET A 69 -7.649 8.526 -5.883 1.00 0.12 O ATOM 1118 CB MET A 69 -7.957 6.919 -3.284 1.00 0.15 C ATOM 1119 CG MET A 69 -7.566 5.574 -3.842 1.00 0.25 C ATOM 1120 SD MET A 69 -6.485 4.648 -2.743 1.00 0.33 S ATOM 1121 CE MET A 69 -7.353 4.829 -1.188 1.00 1.28 C ATOM 0 H MET A 69 -10.274 6.002 -3.820 1.00 0.11 H new ATOM 0 HA MET A 69 -9.117 8.637 -3.711 1.00 0.12 H new ATOM 0 HB2 MET A 69 -7.068 7.544 -3.203 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.347 6.787 -2.275 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.466 4.990 -4.034 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.067 5.715 -4.801 1.00 0.25 H new ATOM 0 HE1 MET A 69 -7.212 3.931 -0.586 1.00 1.28 H new ATOM 0 HE2 MET A 69 -6.960 5.692 -0.650 1.00 1.28 H new ATOM 0 HE3 MET A 69 -8.416 4.975 -1.380 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.118 6.934 -6.432 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.929 7.077 -7.861 1.00 0.10 C ATOM 1133 C LYS A 70 -9.653 8.340 -8.323 1.00 0.13 C ATOM 1134 O LYS A 70 -9.151 9.116 -9.125 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.492 5.858 -8.594 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.441 5.009 -9.276 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.662 4.200 -8.264 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.906 3.064 -8.917 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.932 2.449 -7.983 1.00 1.30 N ATOM 0 H LYS A 70 -9.736 6.168 -6.164 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.865 7.152 -8.085 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.038 5.239 -7.882 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.211 6.196 -9.340 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.917 4.341 -9.993 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.760 5.648 -9.839 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.961 4.850 -7.741 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.345 3.799 -7.515 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -7.611 2.306 -9.260 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -6.382 3.434 -9.798 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.253 1.873 -8.520 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -5.422 3.197 -7.471 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -6.437 1.846 -7.303 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.835 8.551 -7.770 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.647 9.714 -8.112 1.00 0.18 C ATOM 1155 C VAL A 71 -10.915 11.001 -7.753 1.00 0.15 C ATOM 1156 O VAL A 71 -10.972 11.991 -8.486 1.00 0.16 O ATOM 1157 CB VAL A 71 -13.023 9.696 -7.400 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.803 10.969 -7.688 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.836 8.481 -7.816 1.00 1.03 C ATOM 0 H VAL A 71 -11.258 7.931 -7.079 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.819 9.672 -9.187 1.00 0.18 H new ATOM 0 HB VAL A 71 -12.837 9.638 -6.327 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.765 10.930 -7.176 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -13.237 11.830 -7.333 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -13.967 11.060 -8.762 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.797 8.493 -7.302 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -14.001 8.505 -8.893 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.294 7.573 -7.552 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.214 10.985 -6.632 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.398 12.125 -6.261 1.00 0.14 C ATOM 1171 C ILE A 72 -8.034 12.051 -6.954 1.00 0.15 C ATOM 1172 O ILE A 72 -7.457 13.079 -7.304 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.237 12.256 -4.721 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.632 10.987 -4.120 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.586 12.554 -4.076 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.525 11.021 -2.610 1.00 0.14 C ATOM 0 H ILE A 72 -10.194 10.207 -5.973 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.915 13.023 -6.600 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.556 13.083 -4.520 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.240 10.131 -4.413 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.639 10.833 -4.543 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.461 12.644 -2.997 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -10.981 13.488 -4.475 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.281 11.743 -4.295 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.087 10.088 -2.255 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -7.893 11.856 -2.309 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.518 11.143 -2.178 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.555 10.827 -7.202 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.230 10.612 -7.787 1.00 0.12 C ATOM 1190 C ASP A 73 -6.113 9.270 -8.505 1.00 0.13 C ATOM 1191 O ASP A 73 -5.611 8.316 -7.941 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.156 10.657 -6.694 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.777 12.067 -6.287 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.881 12.655 -6.935 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -5.372 12.603 -5.330 1.00 1.08 O ATOM 0 H ASP A 73 -8.069 9.968 -7.005 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.085 11.410 -8.516 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.515 10.117 -5.818 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.266 10.136 -7.047 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.544 9.182 -9.755 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.367 7.942 -10.523 1.00 0.16 C ATOM 1202 C GLU A 74 -4.896 7.709 -10.869 1.00 0.18 C ATOM 1203 O GLU A 74 -4.551 6.743 -11.550 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.209 7.912 -11.801 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.675 7.622 -11.547 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.456 7.340 -12.812 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -9.296 6.238 -13.376 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -10.215 8.224 -13.263 1.00 1.78 O ATOM 0 H GLU A 74 -7.012 9.936 -10.259 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.717 7.136 -9.877 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.119 8.872 -12.310 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.807 7.155 -12.475 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.758 6.766 -10.878 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.123 8.473 -11.033 1.00 0.52 H new ATOM 1215 N ASN A 75 -4.038 8.600 -10.393 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.596 8.407 -10.476 1.00 0.21 C ATOM 1217 C ASN A 75 -2.226 7.296 -9.526 1.00 0.20 C ATOM 1218 O ASN A 75 -1.268 6.544 -9.720 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.869 9.694 -10.074 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.563 9.440 -9.327 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.498 9.304 -9.932 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.643 9.383 -7.999 1.00 0.22 N ATOM 0 H ASN A 75 -4.318 9.471 -9.942 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.306 8.154 -11.496 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.660 10.280 -10.969 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.528 10.295 -9.447 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.197 9.221 -7.444 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.545 9.501 -7.537 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.049 7.208 -8.509 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.831 6.339 -7.390 1.00 0.16 C ATOM 1231 C ILE A 76 -3.130 4.904 -7.747 1.00 0.17 C ATOM 1232 O ILE A 76 -3.878 4.616 -8.682 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.741 6.779 -6.244 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.075 6.598 -4.899 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.072 6.034 -6.261 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -3.821 7.319 -3.808 1.00 0.19 C ATOM 0 H ILE A 76 -3.908 7.754 -8.440 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.784 6.402 -7.094 1.00 0.16 H new ATOM 0 HB ILE A 76 -3.935 7.841 -6.396 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.018 5.536 -4.661 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.051 6.969 -4.947 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.691 6.375 -5.431 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.587 6.230 -7.202 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.891 4.964 -6.163 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.312 7.165 -2.856 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -3.855 8.385 -4.034 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -4.837 6.929 -3.743 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.560 4.016 -6.987 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.829 2.620 -7.137 1.00 0.15 C ATOM 1250 C ARG A 77 -3.064 2.029 -5.771 1.00 0.14 C ATOM 1251 O ARG A 77 -3.006 2.738 -4.770 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.667 1.928 -7.818 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.357 2.105 -7.111 1.00 0.17 C ATOM 1254 CD ARG A 77 0.704 2.399 -8.131 1.00 0.28 C ATOM 1255 NE ARG A 77 0.578 3.754 -8.672 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.589 4.610 -8.805 1.00 0.65 C ATOM 1257 NH1 ARG A 77 2.829 4.232 -8.522 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.361 5.843 -9.245 1.00 1.08 N ATOM 0 H ARG A 77 -1.896 4.241 -6.246 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.713 2.479 -7.758 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.886 0.863 -7.896 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.575 2.310 -8.835 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.424 2.919 -6.390 1.00 0.17 H new ATOM 0 HG3 ARG A 77 -0.104 1.204 -6.552 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.688 2.279 -7.677 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.637 1.676 -8.944 1.00 0.28 H new ATOM 0 HE ARG A 77 -0.348 4.063 -8.967 1.00 0.55 H new ATOM 0 HH11 ARG A 77 3.012 3.281 -8.201 1.00 0.96 H new ATOM 0 HH12 ARG A 77 3.600 4.892 -8.626 1.00 0.96 H new ATOM 0 HH21 ARG A 77 0.412 6.133 -9.481 1.00 1.08 H new ATOM 0 HH22 ARG A 77 2.135 6.499 -9.347 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.293 0.743 -5.710 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.614 0.122 -4.444 1.00 0.15 C ATOM 1274 C VAL A 78 -2.996 -1.247 -4.342 1.00 0.16 C ATOM 1275 O VAL A 78 -2.800 -1.932 -5.335 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.136 0.021 -4.226 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.666 1.277 -3.555 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.838 -0.200 -5.547 1.00 0.43 C ATOM 0 H VAL A 78 -3.265 0.109 -6.509 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.198 0.760 -3.664 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.335 -0.829 -3.573 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.742 1.186 -3.410 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.179 1.406 -2.588 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.457 2.142 -4.185 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.913 -0.270 -5.381 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.628 0.635 -6.215 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.480 -1.125 -5.999 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.656 -1.612 -3.140 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.159 -2.928 -2.851 1.00 0.09 C ATOM 1290 C ILE A 79 -3.126 -3.585 -1.896 1.00 0.09 C ATOM 1291 O ILE A 79 -2.861 -3.699 -0.699 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.754 -2.864 -2.223 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.211 -2.131 -3.160 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.234 -4.255 -1.900 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.607 -1.984 -2.602 1.00 0.60 C ATOM 0 H ILE A 79 -2.716 -1.001 -2.326 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.077 -3.503 -3.774 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.824 -2.309 -1.287 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.263 -2.669 -4.107 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.190 -1.141 -3.377 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.759 -4.179 -1.458 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.908 -4.741 -1.195 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.179 -4.845 -2.815 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.233 -1.455 -3.321 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.569 -1.419 -1.670 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.028 -2.971 -2.411 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.293 -3.929 -2.403 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.333 -4.421 -1.512 1.00 0.10 C ATOM 1309 C ILE A 80 -4.961 -5.773 -0.928 1.00 0.12 C ATOM 1310 O ILE A 80 -4.370 -6.625 -1.586 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.756 -4.478 -2.133 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.943 -5.727 -3.008 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -7.022 -3.215 -2.946 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -6.079 -5.755 -4.251 1.00 0.13 C ATOM 0 H ILE A 80 -4.544 -3.882 -3.391 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.388 -3.676 -0.718 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.476 -4.538 -1.317 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.725 -6.611 -2.409 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.989 -5.794 -3.306 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -8.022 -3.264 -3.377 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.949 -2.342 -2.297 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.285 -3.135 -3.745 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.275 -6.670 -4.810 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.312 -4.892 -4.875 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -5.028 -5.723 -3.964 1.00 0.13 H new ATOM 1326 N MET A 81 -5.293 -5.936 0.330 1.00 0.15 N ATOM 1327 CA MET A 81 -4.931 -7.125 1.066 1.00 0.21 C ATOM 1328 C MET A 81 -6.163 -7.976 1.339 1.00 0.20 C ATOM 1329 O MET A 81 -7.019 -7.598 2.116 1.00 0.36 O ATOM 1330 CB MET A 81 -4.260 -6.735 2.374 1.00 0.31 C ATOM 1331 CG MET A 81 -3.287 -5.567 2.236 1.00 0.43 C ATOM 1332 SD MET A 81 -2.306 -5.282 3.723 1.00 0.80 S ATOM 1333 CE MET A 81 -1.446 -6.847 3.875 1.00 1.88 C ATOM 0 H MET A 81 -5.820 -5.251 0.872 1.00 0.15 H new ATOM 0 HA MET A 81 -4.233 -7.712 0.469 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.027 -6.474 3.103 1.00 0.31 H new ATOM 0 HB3 MET A 81 -3.725 -7.598 2.770 1.00 0.31 H new ATOM 0 HG2 MET A 81 -2.617 -5.757 1.397 1.00 0.43 H new ATOM 0 HG3 MET A 81 -3.846 -4.662 1.998 1.00 0.43 H new ATOM 0 HE1 MET A 81 -0.510 -6.697 4.413 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.070 -7.554 4.422 1.00 1.88 H new ATOM 0 HE3 MET A 81 -1.234 -7.243 2.882 1.00 1.88 H new ATOM 1343 N THR A 82 -6.241 -9.133 0.721 1.00 0.25 N ATOM 1344 CA THR A 82 -7.420 -9.980 0.831 1.00 0.30 C ATOM 1345 C THR A 82 -7.072 -11.336 1.412 1.00 0.31 C ATOM 1346 O THR A 82 -5.900 -11.649 1.590 1.00 0.35 O ATOM 1347 CB THR A 82 -8.104 -10.125 -0.541 1.00 0.47 C ATOM 1348 OG1 THR A 82 -9.061 -11.194 -0.538 1.00 1.13 O ATOM 1349 CG2 THR A 82 -7.080 -10.345 -1.646 1.00 0.91 C ATOM 0 H THR A 82 -5.501 -9.515 0.133 1.00 0.25 H new ATOM 0 HA THR A 82 -8.120 -9.502 1.516 1.00 0.30 H new ATOM 0 HB THR A 82 -8.632 -9.192 -0.737 1.00 0.47 H new ATOM 0 HG1 THR A 82 -9.938 -10.848 -0.270 1.00 1.13 H new ATOM 0 HG21 THR A 82 -7.593 -10.444 -2.603 1.00 0.91 H new ATOM 0 HG22 THR A 82 -6.399 -9.495 -1.685 1.00 0.91 H new ATOM 0 HG23 THR A 82 -6.514 -11.254 -1.442 1.00 0.91 H new ATOM 1357 N ALA A 83 -8.101 -12.076 1.808 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.973 -13.492 2.172 1.00 0.40 C ATOM 1359 C ALA A 83 -7.406 -14.320 1.009 1.00 0.45 C ATOM 1360 O ALA A 83 -8.083 -15.187 0.456 1.00 0.54 O ATOM 1361 CB ALA A 83 -9.325 -14.038 2.599 1.00 0.47 C ATOM 0 H ALA A 83 -9.052 -11.715 1.888 1.00 0.33 H new ATOM 0 HA ALA A 83 -7.274 -13.568 3.005 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -9.224 -15.089 2.868 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.689 -13.476 3.459 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -10.033 -13.940 1.776 1.00 0.47 H new ATOM 1367 N TYR A 84 -6.164 -14.009 0.646 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.441 -14.622 -0.468 1.00 0.55 C ATOM 1369 C TYR A 84 -6.155 -14.421 -1.808 1.00 0.56 C ATOM 1370 O TYR A 84 -5.697 -14.894 -2.847 1.00 0.77 O ATOM 1371 CB TYR A 84 -5.178 -16.110 -0.203 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.024 -16.676 -1.005 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -2.705 -16.381 -0.680 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -4.260 -17.516 -2.086 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -1.656 -16.909 -1.410 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -3.218 -18.045 -2.820 1.00 2.97 C ATOM 1377 CZ TYR A 84 -1.891 -17.688 -2.475 1.00 3.26 C ATOM 1378 OH TYR A 84 -0.881 -18.270 -3.208 1.00 4.30 O ATOM 0 H TYR A 84 -5.615 -13.301 1.134 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.481 -14.111 -0.540 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.975 -16.251 0.859 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -6.081 -16.676 -0.432 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.496 -15.729 0.156 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -5.277 -17.759 -2.357 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -0.639 -16.692 -1.120 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -3.410 -18.719 -3.642 1.00 2.97 H new ATOM 0 HH TYR A 84 -1.268 -18.797 -3.938 1.00 4.30 H new ATOM 1388 N GLY A 85 -7.245 -13.683 -1.785 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.997 -13.437 -2.987 1.00 0.56 C ATOM 1390 C GLY A 85 -9.169 -14.378 -3.134 1.00 0.55 C ATOM 1391 O GLY A 85 -9.036 -15.475 -3.675 1.00 0.62 O ATOM 0 H GLY A 85 -7.626 -13.246 -0.946 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -8.358 -12.409 -2.983 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -7.341 -13.541 -3.851 1.00 0.56 H new ATOM 1395 N GLU A 86 -10.322 -13.935 -2.656 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.565 -14.686 -2.792 1.00 0.62 C ATOM 1397 C GLU A 86 -12.104 -14.604 -4.230 1.00 0.68 C ATOM 1398 O GLU A 86 -13.240 -14.989 -4.502 1.00 1.05 O ATOM 1399 CB GLU A 86 -12.593 -14.143 -1.800 1.00 0.72 C ATOM 1400 CG GLU A 86 -12.056 -14.043 -0.376 1.00 0.74 C ATOM 1401 CD GLU A 86 -13.090 -13.550 0.618 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -14.067 -14.285 0.885 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -12.933 -12.428 1.144 1.00 1.17 O ATOM 0 H GLU A 86 -10.424 -13.047 -2.164 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.371 -15.736 -2.573 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -12.920 -13.157 -2.129 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -13.471 -14.789 -1.806 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -11.696 -15.022 -0.061 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -11.199 -13.369 -0.364 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.259 -14.101 -5.135 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.563 -13.990 -6.564 1.00 0.73 C ATOM 1412 C LEU A 87 -12.711 -13.026 -6.873 1.00 0.74 C ATOM 1413 O LEU A 87 -13.226 -12.339 -5.989 1.00 0.72 O ATOM 1414 CB LEU A 87 -11.837 -15.369 -7.168 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.580 -16.162 -7.522 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -10.939 -17.591 -7.890 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -9.847 -15.482 -8.671 1.00 1.73 C ATOM 0 H LEU A 87 -10.331 -13.755 -4.891 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.675 -13.563 -7.030 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.432 -15.950 -6.463 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.440 -15.245 -8.068 1.00 0.85 H new ATOM 0 HG LEU A 87 -9.923 -16.190 -6.653 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -10.032 -18.141 -8.139 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -11.434 -18.071 -7.046 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -11.609 -17.588 -8.750 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -8.952 -16.052 -8.919 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -10.500 -15.435 -9.542 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.564 -14.472 -8.375 1.00 1.73 H new ATOM 1429 N ASP A 88 -13.044 -12.954 -8.163 1.00 0.80 N ATOM 1430 CA ASP A 88 -14.107 -12.092 -8.688 1.00 0.85 C ATOM 1431 C ASP A 88 -13.801 -10.616 -8.436 1.00 0.74 C ATOM 1432 O ASP A 88 -13.101 -9.983 -9.224 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.473 -12.477 -8.107 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.620 -11.876 -8.892 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -17.028 -12.477 -9.908 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -17.124 -10.805 -8.496 1.00 1.38 O ATOM 0 H ASP A 88 -12.576 -13.502 -8.885 1.00 0.80 H new ATOM 0 HA ASP A 88 -14.148 -12.243 -9.767 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.570 -13.563 -8.100 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.531 -12.145 -7.070 1.00 1.01 H new ATOM 1441 N MET A 89 -14.291 -10.075 -7.324 1.00 0.76 N ATOM 1442 CA MET A 89 -14.000 -8.694 -6.950 1.00 0.73 C ATOM 1443 C MET A 89 -12.515 -8.520 -6.677 1.00 0.57 C ATOM 1444 O MET A 89 -11.986 -7.420 -6.756 1.00 0.53 O ATOM 1445 CB MET A 89 -14.807 -8.275 -5.720 1.00 0.87 C ATOM 1446 CG MET A 89 -16.304 -8.190 -5.965 1.00 1.58 C ATOM 1447 SD MET A 89 -17.192 -7.457 -4.575 1.00 1.63 S ATOM 1448 CE MET A 89 -16.770 -8.598 -3.258 1.00 2.72 C ATOM 0 H MET A 89 -14.891 -10.572 -6.666 1.00 0.76 H new ATOM 0 HA MET A 89 -14.287 -8.054 -7.785 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.620 -8.986 -4.916 1.00 0.87 H new ATOM 0 HB3 MET A 89 -14.449 -7.304 -5.376 1.00 0.87 H new ATOM 0 HG2 MET A 89 -16.489 -7.599 -6.862 1.00 1.58 H new ATOM 0 HG3 MET A 89 -16.695 -9.190 -6.155 1.00 1.58 H new ATOM 0 HE1 MET A 89 -17.430 -8.431 -2.406 1.00 2.72 H new ATOM 0 HE2 MET A 89 -16.887 -9.622 -3.612 1.00 2.72 H new ATOM 0 HE3 MET A 89 -15.736 -8.436 -2.953 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.846 -9.615 -6.353 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.403 -9.597 -6.164 1.00 0.45 C ATOM 1460 C ILE A 90 -9.707 -9.318 -7.490 1.00 0.42 C ATOM 1461 O ILE A 90 -8.735 -8.563 -7.554 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.903 -10.936 -5.595 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.651 -11.261 -4.302 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.399 -10.896 -5.358 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -10.415 -10.272 -3.195 1.00 0.67 C ATOM 0 H ILE A 90 -12.279 -10.528 -6.215 1.00 0.53 H new ATOM 0 HA ILE A 90 -10.166 -8.807 -5.452 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.102 -11.723 -6.322 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.719 -11.306 -4.514 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -10.352 -12.252 -3.960 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -8.068 -11.854 -4.956 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.887 -10.702 -6.301 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -8.164 -10.103 -4.648 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -10.980 -10.572 -2.312 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -9.353 -10.243 -2.953 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -10.741 -9.283 -3.515 1.00 0.67 H new ATOM 1477 N GLN A 91 -10.238 -9.922 -8.547 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.733 -9.703 -9.889 1.00 0.52 C ATOM 1479 C GLN A 91 -10.023 -8.267 -10.299 1.00 0.44 C ATOM 1480 O GLN A 91 -9.182 -7.575 -10.867 1.00 0.40 O ATOM 1481 CB GLN A 91 -10.398 -10.676 -10.860 1.00 0.67 C ATOM 1482 CG GLN A 91 -10.242 -12.130 -10.449 1.00 0.79 C ATOM 1483 CD GLN A 91 -8.808 -12.611 -10.527 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -8.055 -12.510 -9.560 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -8.426 -13.147 -11.673 1.00 2.49 N ATOM 0 H GLN A 91 -11.023 -10.571 -8.495 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.657 -9.875 -9.911 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -11.459 -10.438 -10.934 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -9.970 -10.538 -11.853 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -10.608 -12.256 -9.430 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -10.865 -12.753 -11.091 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -9.083 -13.211 -12.450 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -7.474 -13.497 -11.780 1.00 2.49 H new ATOM 1494 N GLU A 92 -11.228 -7.836 -9.963 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.691 -6.484 -10.221 1.00 0.46 C ATOM 1496 C GLU A 92 -10.865 -5.440 -9.466 1.00 0.37 C ATOM 1497 O GLU A 92 -10.559 -4.377 -9.999 1.00 0.37 O ATOM 1498 CB GLU A 92 -13.161 -6.392 -9.828 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.617 -4.994 -9.482 1.00 0.65 C ATOM 1500 CD GLU A 92 -15.035 -4.959 -8.951 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.224 -5.096 -7.725 1.00 1.27 O ATOM 1502 OE2 GLU A 92 -15.975 -4.797 -9.755 1.00 0.94 O ATOM 0 H GLU A 92 -11.920 -8.423 -9.498 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.570 -6.269 -11.283 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.771 -6.769 -10.649 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.340 -7.044 -8.973 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -12.943 -4.570 -8.737 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.549 -4.364 -10.369 1.00 0.65 H new ATOM 1509 N SER A 93 -10.510 -5.747 -8.228 1.00 0.34 N ATOM 1510 CA SER A 93 -9.761 -4.822 -7.392 1.00 0.34 C ATOM 1511 C SER A 93 -8.475 -4.394 -8.092 1.00 0.33 C ATOM 1512 O SER A 93 -8.282 -3.216 -8.407 1.00 0.32 O ATOM 1513 CB SER A 93 -9.450 -5.477 -6.045 1.00 0.43 C ATOM 1514 OG SER A 93 -9.012 -4.521 -5.099 1.00 1.28 O ATOM 0 H SER A 93 -10.730 -6.635 -7.778 1.00 0.34 H new ATOM 0 HA SER A 93 -10.365 -3.931 -7.218 1.00 0.34 H new ATOM 0 HB2 SER A 93 -10.340 -5.982 -5.670 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.682 -6.239 -6.177 1.00 0.43 H new ATOM 0 HG SER A 93 -8.846 -3.667 -5.550 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.599 -5.359 -8.340 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.390 -5.110 -9.107 1.00 0.34 C ATOM 1522 C LYS A 94 -6.701 -4.538 -10.494 1.00 0.32 C ATOM 1523 O LYS A 94 -5.977 -3.670 -10.984 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.565 -6.385 -9.233 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.358 -7.584 -9.697 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.458 -8.785 -9.878 1.00 0.43 C ATOM 1527 CE LYS A 94 -6.235 -10.025 -10.283 1.00 1.37 C ATOM 1528 NZ LYS A 94 -5.363 -11.227 -10.318 1.00 1.91 N ATOM 0 H LYS A 94 -7.705 -6.322 -8.020 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.809 -4.363 -8.566 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.748 -6.210 -9.932 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -5.114 -6.612 -8.267 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -7.137 -7.814 -8.970 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.858 -7.353 -10.638 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.708 -8.564 -10.637 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.923 -8.980 -8.948 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -7.053 -10.188 -9.581 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -6.683 -9.870 -11.265 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -5.930 -12.073 -10.108 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.939 -11.321 -11.263 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -4.609 -11.130 -9.608 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.786 -5.001 -11.117 1.00 0.33 N ATOM 1543 CA GLU A 95 -8.142 -4.538 -12.457 1.00 0.35 C ATOM 1544 C GLU A 95 -8.522 -3.053 -12.457 1.00 0.31 C ATOM 1545 O GLU A 95 -8.418 -2.380 -13.484 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.262 -5.396 -13.076 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.650 -4.784 -13.002 1.00 0.56 C ATOM 1548 CD GLU A 95 -11.649 -5.501 -13.886 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -11.644 -5.258 -15.112 1.00 1.72 O ATOM 1550 OE2 GLU A 95 -12.449 -6.306 -13.365 1.00 1.84 O ATOM 0 H GLU A 95 -8.426 -5.688 -10.720 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.256 -4.653 -13.081 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -9.019 -5.585 -14.122 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.280 -6.363 -12.573 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -11.000 -4.809 -11.970 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.597 -3.736 -13.295 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.934 -2.536 -11.304 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.312 -1.130 -11.195 1.00 0.28 C ATOM 1559 C LEU A 96 -8.115 -0.256 -10.859 1.00 0.28 C ATOM 1560 O LEU A 96 -8.222 0.969 -10.811 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.394 -0.932 -10.139 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.807 -0.717 -10.687 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.263 -1.913 -11.510 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.775 -0.452 -9.551 1.00 1.25 C ATOM 0 H LEU A 96 -9.015 -3.065 -10.436 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.703 -0.831 -12.168 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -10.404 -1.803 -9.484 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.126 -0.074 -9.523 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.789 0.153 -11.343 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.270 -1.733 -11.887 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -11.582 -2.058 -12.349 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.264 -2.806 -10.885 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -13.776 -0.301 -9.954 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -12.782 -1.305 -8.872 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -12.464 0.441 -9.008 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.979 -0.881 -10.621 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.790 -0.121 -10.322 1.00 0.21 C ATOM 1578 C GLY A 97 -5.080 -0.595 -9.073 1.00 0.20 C ATOM 1579 O GLY A 97 -4.276 0.138 -8.496 1.00 0.35 O ATOM 0 H GLY A 97 -6.858 -1.894 -10.629 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.105 -0.182 -11.167 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.057 0.929 -10.204 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.396 -1.794 -8.617 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.614 -2.406 -7.566 1.00 0.13 C ATOM 1585 C ALA A 98 -3.483 -3.203 -8.188 1.00 0.14 C ATOM 1586 O ALA A 98 -3.686 -3.950 -9.143 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.474 -3.276 -6.655 1.00 0.17 C ATOM 0 H ALA A 98 -6.179 -2.354 -8.955 1.00 0.15 H new ATOM 0 HA ALA A 98 -4.195 -1.621 -6.936 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.850 -3.718 -5.878 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.249 -2.664 -6.193 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.939 -4.068 -7.241 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.285 -3.014 -7.682 1.00 0.15 N ATOM 1594 CA LEU A 99 -1.137 -3.691 -8.230 1.00 0.16 C ATOM 1595 C LEU A 99 -1.171 -5.137 -7.832 1.00 0.15 C ATOM 1596 O LEU A 99 -1.038 -6.041 -8.658 1.00 0.17 O ATOM 1597 CB LEU A 99 0.137 -3.093 -7.685 1.00 0.18 C ATOM 1598 CG LEU A 99 0.149 -1.579 -7.637 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.350 -1.080 -6.847 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.155 -1.004 -9.047 1.00 0.18 C ATOM 0 H LEU A 99 -2.083 -2.398 -6.894 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.164 -3.586 -9.315 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.302 -3.477 -6.678 1.00 0.18 H new ATOM 0 HB3 LEU A 99 0.973 -3.431 -8.297 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.756 -1.240 -7.132 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.342 0.010 -6.823 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.301 -1.466 -5.829 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.268 -1.426 -7.323 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.164 0.085 -8.996 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.043 -1.349 -9.577 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.737 -1.335 -9.579 1.00 0.18 H new ATOM 1612 N THR A 100 -1.382 -5.336 -6.547 1.00 0.14 N ATOM 1613 CA THR A 100 -1.308 -6.647 -5.969 1.00 0.14 C ATOM 1614 C THR A 100 -2.380 -6.851 -4.910 1.00 0.15 C ATOM 1615 O THR A 100 -2.711 -5.937 -4.155 1.00 0.13 O ATOM 1616 CB THR A 100 0.070 -6.876 -5.324 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.298 -5.867 -4.338 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.179 -6.824 -6.364 1.00 0.16 C ATOM 0 H THR A 100 -1.608 -4.594 -5.884 1.00 0.14 H new ATOM 0 HA THR A 100 -1.466 -7.362 -6.777 1.00 0.14 H new ATOM 0 HB THR A 100 0.078 -7.865 -4.865 1.00 0.16 H new ATOM 0 HG1 THR A 100 0.818 -6.244 -3.598 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.141 -6.989 -5.879 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.012 -7.599 -7.113 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.179 -5.847 -6.847 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.906 -8.062 -4.880 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.796 -8.487 -3.827 1.00 0.27 C ATOM 1628 C ALA A 101 -3.049 -9.410 -2.873 1.00 0.36 C ATOM 1629 O ALA A 101 -3.052 -10.632 -3.038 1.00 0.52 O ATOM 1630 CB ALA A 101 -5.022 -9.181 -4.406 1.00 0.36 C ATOM 0 H ALA A 101 -2.725 -8.775 -5.587 1.00 0.26 H new ATOM 0 HA ALA A 101 -4.141 -7.612 -3.275 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.680 -9.494 -3.595 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.555 -8.492 -5.061 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.709 -10.055 -4.977 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.366 -8.810 -1.905 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.625 -9.567 -0.905 1.00 0.58 C ATOM 1638 C PHE A 102 -2.586 -10.177 0.097 1.00 0.39 C ATOM 1639 O PHE A 102 -3.709 -9.705 0.253 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.595 -8.684 -0.201 1.00 0.92 C ATOM 1641 CG PHE A 102 0.624 -8.417 -1.038 1.00 1.68 C ATOM 1642 CD1 PHE A 102 1.258 -9.443 -1.717 1.00 2.38 C ATOM 1643 CD2 PHE A 102 1.128 -7.132 -1.151 1.00 2.35 C ATOM 1644 CE1 PHE A 102 2.374 -9.192 -2.493 1.00 3.38 C ATOM 1645 CE2 PHE A 102 2.243 -6.876 -1.924 1.00 3.44 C ATOM 1646 CZ PHE A 102 2.888 -7.937 -2.576 1.00 3.86 C ATOM 0 H PHE A 102 -2.310 -7.798 -1.792 1.00 0.41 H new ATOM 0 HA PHE A 102 -1.084 -10.369 -1.407 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -1.060 -7.735 0.065 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -0.291 -9.162 0.730 1.00 0.92 H new ATOM 0 HD1 PHE A 102 0.877 -10.450 -1.640 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.643 -6.321 -0.628 1.00 2.35 H new ATOM 0 HE1 PHE A 102 2.841 -9.999 -3.037 1.00 3.38 H new ATOM 0 HE2 PHE A 102 2.615 -5.867 -2.026 1.00 3.44 H new ATOM 0 HZ PHE A 102 3.790 -7.757 -3.142 1.00 3.86 H new ATOM 1656 N ALA A 103 -2.158 -11.227 0.766 1.00 0.40 N ATOM 1657 CA ALA A 103 -3.048 -11.977 1.621 1.00 0.44 C ATOM 1658 C ALA A 103 -2.907 -11.589 3.084 1.00 0.65 C ATOM 1659 O ALA A 103 -2.274 -10.587 3.417 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.796 -13.457 1.432 1.00 0.57 C ATOM 0 H ALA A 103 -1.201 -11.578 0.733 1.00 0.40 H new ATOM 0 HA ALA A 103 -4.072 -11.739 1.334 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -3.467 -14.025 2.076 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -2.977 -13.727 0.392 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.762 -13.686 1.692 1.00 0.57 H new ATOM 1666 N LYS A 104 -3.549 -12.363 3.954 1.00 0.84 N ATOM 1667 CA LYS A 104 -3.376 -12.207 5.390 1.00 1.12 C ATOM 1668 C LYS A 104 -1.996 -12.743 5.790 1.00 1.08 C ATOM 1669 O LYS A 104 -1.285 -12.107 6.563 1.00 1.13 O ATOM 1670 CB LYS A 104 -4.498 -12.924 6.153 1.00 1.55 C ATOM 1671 CG LYS A 104 -4.652 -12.483 7.601 1.00 1.83 C ATOM 1672 CD LYS A 104 -5.738 -13.286 8.301 1.00 2.48 C ATOM 1673 CE LYS A 104 -6.048 -12.748 9.691 1.00 2.95 C ATOM 1674 NZ LYS A 104 -6.688 -11.403 9.649 1.00 3.35 N ATOM 0 H LYS A 104 -4.195 -13.106 3.686 1.00 0.84 H new ATOM 0 HA LYS A 104 -3.433 -11.150 5.652 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -5.441 -12.756 5.632 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -4.308 -13.997 6.131 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -3.705 -12.609 8.126 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.898 -11.422 7.638 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -6.645 -13.270 7.697 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -5.425 -14.327 8.378 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -6.707 -13.445 10.209 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -5.126 -12.691 10.270 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -7.460 -11.364 10.344 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -5.981 -10.675 9.876 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -7.070 -11.230 8.697 1.00 3.35 H new ATOM 1688 N PRO A 105 -1.593 -13.934 5.287 1.00 1.09 N ATOM 1689 CA PRO A 105 -0.201 -14.365 5.373 1.00 1.13 C ATOM 1690 C PRO A 105 0.694 -13.503 4.490 1.00 0.95 C ATOM 1691 O PRO A 105 0.771 -13.693 3.274 1.00 0.91 O ATOM 1692 CB PRO A 105 -0.223 -15.812 4.870 1.00 1.28 C ATOM 1693 CG PRO A 105 -1.453 -15.910 4.040 1.00 1.36 C ATOM 1694 CD PRO A 105 -2.444 -14.971 4.665 1.00 1.17 C ATOM 0 HA PRO A 105 0.197 -14.277 6.384 1.00 1.13 H new ATOM 0 HB2 PRO A 105 0.668 -16.040 4.285 1.00 1.28 H new ATOM 0 HB3 PRO A 105 -0.249 -16.518 5.700 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -1.250 -15.632 3.006 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -1.836 -16.931 4.027 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -3.117 -14.545 3.921 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -3.065 -15.477 5.404 1.00 1.17 H new ATOM 1702 N PHE A 106 1.331 -12.528 5.108 1.00 0.92 N ATOM 1703 CA PHE A 106 2.270 -11.665 4.415 1.00 0.81 C ATOM 1704 C PHE A 106 3.673 -11.915 4.936 1.00 0.81 C ATOM 1705 O PHE A 106 3.881 -12.084 6.139 1.00 0.86 O ATOM 1706 CB PHE A 106 1.882 -10.189 4.591 1.00 0.76 C ATOM 1707 CG PHE A 106 1.934 -9.706 6.015 1.00 0.80 C ATOM 1708 CD1 PHE A 106 0.900 -9.988 6.892 1.00 0.98 C ATOM 1709 CD2 PHE A 106 3.010 -8.963 6.473 1.00 0.76 C ATOM 1710 CE1 PHE A 106 0.938 -9.541 8.196 1.00 1.10 C ATOM 1711 CE2 PHE A 106 3.055 -8.513 7.776 1.00 0.85 C ATOM 1712 CZ PHE A 106 2.041 -8.828 8.648 1.00 1.02 C ATOM 0 H PHE A 106 1.214 -12.312 6.098 1.00 0.92 H new ATOM 0 HA PHE A 106 2.241 -11.894 3.350 1.00 0.81 H new ATOM 0 HB2 PHE A 106 2.548 -9.575 3.986 1.00 0.76 H new ATOM 0 HB3 PHE A 106 0.873 -10.041 4.205 1.00 0.76 H new ATOM 0 HD1 PHE A 106 0.053 -10.565 6.550 1.00 0.98 H new ATOM 0 HD2 PHE A 106 3.824 -8.733 5.801 1.00 0.76 H new ATOM 0 HE1 PHE A 106 0.113 -9.744 8.863 1.00 1.10 H new ATOM 0 HE2 PHE A 106 3.888 -7.913 8.111 1.00 0.85 H new ATOM 0 HZ PHE A 106 2.101 -8.522 9.682 1.00 1.02 H new ATOM 1722 N ASP A 107 4.639 -11.936 4.036 1.00 0.79 N ATOM 1723 CA ASP A 107 6.017 -12.230 4.403 1.00 0.82 C ATOM 1724 C ASP A 107 6.756 -10.974 4.819 1.00 0.73 C ATOM 1725 O ASP A 107 7.981 -10.979 4.838 1.00 0.72 O ATOM 1726 CB ASP A 107 6.761 -12.896 3.245 1.00 0.88 C ATOM 1727 CG ASP A 107 6.936 -14.386 3.449 1.00 1.35 C ATOM 1728 OD1 ASP A 107 7.816 -14.776 4.241 1.00 1.77 O ATOM 1729 OD2 ASP A 107 6.197 -15.174 2.825 1.00 1.63 O ATOM 0 H ASP A 107 4.497 -11.753 3.043 1.00 0.79 H new ATOM 0 HA ASP A 107 5.985 -12.916 5.250 1.00 0.82 H new ATOM 0 HB2 ASP A 107 6.215 -12.721 2.318 1.00 0.88 H new ATOM 0 HB3 ASP A 107 7.740 -12.431 3.131 1.00 0.88 H new ATOM 1734 N ILE A 108 5.984 -9.935 5.191 1.00 0.73 N ATOM 1735 CA ILE A 108 6.477 -8.575 5.521 1.00 0.71 C ATOM 1736 C ILE A 108 7.434 -8.017 4.461 1.00 0.66 C ATOM 1737 O ILE A 108 7.096 -7.064 3.750 1.00 0.63 O ATOM 1738 CB ILE A 108 7.090 -8.444 6.959 1.00 0.77 C ATOM 1739 CG1 ILE A 108 7.676 -7.035 7.165 1.00 0.67 C ATOM 1740 CG2 ILE A 108 8.146 -9.504 7.260 1.00 1.33 C ATOM 1741 CD1 ILE A 108 8.491 -6.893 8.431 1.00 1.39 C ATOM 0 H ILE A 108 4.971 -10.016 5.274 1.00 0.73 H new ATOM 0 HA ILE A 108 5.579 -7.958 5.517 1.00 0.71 H new ATOM 0 HB ILE A 108 6.273 -8.608 7.661 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.303 -6.784 6.310 1.00 0.67 H new ATOM 0 HG13 ILE A 108 6.861 -6.312 7.186 1.00 0.67 H new ATOM 0 HG21 ILE A 108 8.530 -9.358 8.269 1.00 1.33 H new ATOM 0 HG22 ILE A 108 7.699 -10.495 7.181 1.00 1.33 H new ATOM 0 HG23 ILE A 108 8.963 -9.417 6.544 1.00 1.33 H new ATOM 0 HD11 ILE A 108 8.871 -5.874 8.507 1.00 1.39 H new ATOM 0 HD12 ILE A 108 7.863 -7.112 9.295 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.328 -7.591 8.405 1.00 1.39 H new ATOM 1753 N ASP A 109 8.601 -8.621 4.327 1.00 0.68 N ATOM 1754 CA ASP A 109 9.603 -8.155 3.390 1.00 0.67 C ATOM 1755 C ASP A 109 9.106 -8.281 1.963 1.00 0.62 C ATOM 1756 O ASP A 109 9.542 -7.544 1.105 1.00 0.58 O ATOM 1757 CB ASP A 109 10.902 -8.936 3.541 1.00 0.73 C ATOM 1758 CG ASP A 109 12.094 -8.178 2.998 1.00 0.95 C ATOM 1759 OD1 ASP A 109 12.594 -7.276 3.697 1.00 1.16 O ATOM 1760 OD2 ASP A 109 12.542 -8.478 1.875 1.00 1.08 O ATOM 0 H ASP A 109 8.878 -9.444 4.862 1.00 0.68 H new ATOM 0 HA ASP A 109 9.794 -7.105 3.613 1.00 0.67 H new ATOM 0 HB2 ASP A 109 11.067 -9.162 4.594 1.00 0.73 H new ATOM 0 HB3 ASP A 109 10.813 -9.890 3.021 1.00 0.73 H new ATOM 1765 N GLU A 110 8.180 -9.204 1.704 1.00 0.65 N ATOM 1766 CA GLU A 110 7.641 -9.353 0.354 1.00 0.64 C ATOM 1767 C GLU A 110 6.779 -8.145 0.007 1.00 0.59 C ATOM 1768 O GLU A 110 6.652 -7.773 -1.153 1.00 0.58 O ATOM 1769 CB GLU A 110 6.815 -10.641 0.210 1.00 0.68 C ATOM 1770 CG GLU A 110 5.449 -10.587 0.886 1.00 0.67 C ATOM 1771 CD GLU A 110 4.559 -11.749 0.503 1.00 0.72 C ATOM 1772 OE1 GLU A 110 4.393 -12.002 -0.707 1.00 0.72 O ATOM 1773 OE2 GLU A 110 4.021 -12.416 1.411 1.00 0.84 O ATOM 0 H GLU A 110 7.794 -9.847 2.395 1.00 0.65 H new ATOM 0 HA GLU A 110 8.482 -9.418 -0.336 1.00 0.64 H new ATOM 0 HB2 GLU A 110 6.675 -10.853 -0.850 1.00 0.68 H new ATOM 0 HB3 GLU A 110 7.383 -11.472 0.629 1.00 0.68 H new ATOM 0 HG2 GLU A 110 5.584 -10.580 1.968 1.00 0.67 H new ATOM 0 HG3 GLU A 110 4.954 -9.653 0.620 1.00 0.67 H new ATOM 1780 N ILE A 111 6.205 -7.534 1.032 1.00 0.57 N ATOM 1781 CA ILE A 111 5.378 -6.351 0.856 1.00 0.54 C ATOM 1782 C ILE A 111 6.272 -5.147 0.617 1.00 0.48 C ATOM 1783 O ILE A 111 6.054 -4.373 -0.318 1.00 0.46 O ATOM 1784 CB ILE A 111 4.502 -6.096 2.103 1.00 0.58 C ATOM 1785 CG1 ILE A 111 3.826 -7.390 2.592 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.462 -5.032 1.793 1.00 0.56 C ATOM 1787 CD1 ILE A 111 2.472 -7.666 1.972 1.00 0.74 C ATOM 0 H ILE A 111 6.298 -7.841 2.000 1.00 0.57 H new ATOM 0 HA ILE A 111 4.722 -6.511 0.000 1.00 0.54 H new ATOM 0 HB ILE A 111 5.147 -5.742 2.907 1.00 0.58 H new ATOM 0 HG12 ILE A 111 4.486 -8.231 2.381 1.00 0.69 H new ATOM 0 HG13 ILE A 111 3.712 -7.338 3.675 1.00 0.69 H new ATOM 0 HG21 ILE A 111 2.847 -4.856 2.676 1.00 0.56 H new ATOM 0 HG22 ILE A 111 3.962 -4.106 1.509 1.00 0.56 H new ATOM 0 HG23 ILE A 111 2.830 -5.370 0.972 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.071 -8.596 2.374 1.00 0.74 H new ATOM 0 HD12 ILE A 111 1.792 -6.847 2.204 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.578 -7.754 0.891 1.00 0.74 H new ATOM 1799 N ARG A 112 7.297 -5.004 1.449 1.00 0.48 N ATOM 1800 CA ARG A 112 8.226 -3.894 1.299 1.00 0.46 C ATOM 1801 C ARG A 112 9.019 -4.054 0.018 1.00 0.47 C ATOM 1802 O ARG A 112 9.264 -3.090 -0.701 1.00 0.47 O ATOM 1803 CB ARG A 112 9.156 -3.768 2.522 1.00 0.48 C ATOM 1804 CG ARG A 112 10.310 -4.769 2.607 1.00 0.51 C ATOM 1805 CD ARG A 112 11.518 -4.313 1.797 1.00 0.50 C ATOM 1806 NE ARG A 112 12.725 -5.078 2.107 1.00 0.56 N ATOM 1807 CZ ARG A 112 13.948 -4.551 2.125 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.116 -3.253 1.884 1.00 0.64 N ATOM 1809 NH2 ARG A 112 14.999 -5.322 2.401 1.00 0.72 N ATOM 0 H ARG A 112 7.503 -5.634 2.224 1.00 0.48 H new ATOM 0 HA ARG A 112 7.652 -2.969 1.239 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.576 -2.762 2.530 1.00 0.48 H new ATOM 0 HB3 ARG A 112 8.551 -3.868 3.423 1.00 0.48 H new ATOM 0 HG2 ARG A 112 10.600 -4.901 3.649 1.00 0.51 H new ATOM 0 HG3 ARG A 112 9.975 -5.741 2.244 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.295 -4.408 0.734 1.00 0.50 H new ATOM 0 HD3 ARG A 112 11.702 -3.256 1.990 1.00 0.50 H new ATOM 0 HE ARG A 112 12.625 -6.070 2.321 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.308 -2.662 1.686 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.052 -2.849 1.898 1.00 0.64 H new ATOM 0 HH21 ARG A 112 14.866 -6.314 2.598 1.00 0.72 H new ATOM 0 HH22 ARG A 112 15.936 -4.920 2.415 1.00 0.72 H new ATOM 1823 N ASP A 113 9.398 -5.284 -0.280 1.00 0.50 N ATOM 1824 CA ASP A 113 10.177 -5.555 -1.459 1.00 0.53 C ATOM 1825 C ASP A 113 9.347 -5.249 -2.689 1.00 0.54 C ATOM 1826 O ASP A 113 9.828 -4.625 -3.630 1.00 0.59 O ATOM 1827 CB ASP A 113 10.647 -7.012 -1.492 1.00 0.58 C ATOM 1828 CG ASP A 113 11.342 -7.373 -2.791 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.464 -6.870 -3.031 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.773 -8.160 -3.578 1.00 0.78 O ATOM 0 H ASP A 113 9.176 -6.106 0.282 1.00 0.50 H new ATOM 0 HA ASP A 113 11.063 -4.920 -1.443 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.328 -7.189 -0.659 1.00 0.58 H new ATOM 0 HB3 ASP A 113 9.790 -7.670 -1.348 1.00 0.58 H new ATOM 1835 N ALA A 114 8.085 -5.672 -2.653 1.00 0.54 N ATOM 1836 CA ALA A 114 7.155 -5.417 -3.739 1.00 0.57 C ATOM 1837 C ALA A 114 7.051 -3.934 -4.032 1.00 0.52 C ATOM 1838 O ALA A 114 7.210 -3.509 -5.181 1.00 0.57 O ATOM 1839 CB ALA A 114 5.781 -5.981 -3.419 1.00 0.59 C ATOM 0 H ALA A 114 7.685 -6.197 -1.875 1.00 0.54 H new ATOM 0 HA ALA A 114 7.541 -5.918 -4.627 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.102 -5.777 -4.247 1.00 0.59 H new ATOM 0 HB2 ALA A 114 5.856 -7.058 -3.267 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.398 -5.513 -2.512 1.00 0.59 H new ATOM 1845 N VAL A 115 6.812 -3.138 -2.997 1.00 0.46 N ATOM 1846 CA VAL A 115 6.607 -1.723 -3.210 1.00 0.41 C ATOM 1847 C VAL A 115 7.822 -1.075 -3.887 1.00 0.45 C ATOM 1848 O VAL A 115 7.674 -0.432 -4.920 1.00 0.47 O ATOM 1849 CB VAL A 115 6.223 -0.949 -1.932 1.00 0.34 C ATOM 1850 CG1 VAL A 115 4.886 -1.436 -1.407 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.285 -1.031 -0.848 1.00 0.37 C ATOM 0 H VAL A 115 6.757 -3.445 -2.026 1.00 0.46 H new ATOM 0 HA VAL A 115 5.750 -1.654 -3.879 1.00 0.41 H new ATOM 0 HB VAL A 115 6.144 0.102 -2.209 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.626 -0.882 -0.505 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.118 -1.277 -2.164 1.00 0.36 H new ATOM 0 HG13 VAL A 115 4.952 -2.499 -1.174 1.00 0.36 H new ATOM 0 HG21 VAL A 115 6.958 -0.467 0.026 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.441 -2.073 -0.570 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.219 -0.611 -1.221 1.00 0.37 H new ATOM 1861 N LYS A 116 9.025 -1.304 -3.343 1.00 0.50 N ATOM 1862 CA LYS A 116 10.255 -0.720 -3.907 1.00 0.59 C ATOM 1863 C LYS A 116 10.567 -1.259 -5.306 1.00 0.69 C ATOM 1864 O LYS A 116 11.199 -0.576 -6.105 1.00 0.85 O ATOM 1865 CB LYS A 116 11.458 -0.968 -2.988 1.00 0.76 C ATOM 1866 CG LYS A 116 11.468 -2.335 -2.329 1.00 1.16 C ATOM 1867 CD LYS A 116 12.753 -3.115 -2.577 1.00 0.92 C ATOM 1868 CE LYS A 116 12.843 -3.620 -4.008 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.689 -4.842 -4.107 1.00 1.04 N ATOM 0 H LYS A 116 9.175 -1.885 -2.518 1.00 0.50 H new ATOM 0 HA LYS A 116 10.074 0.352 -3.987 1.00 0.59 H new ATOM 0 HB2 LYS A 116 12.374 -0.850 -3.567 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.471 -0.203 -2.212 1.00 0.76 H new ATOM 0 HG2 LYS A 116 11.326 -2.214 -1.255 1.00 1.16 H new ATOM 0 HG3 LYS A 116 10.622 -2.915 -2.699 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.611 -2.478 -2.362 1.00 0.92 H new ATOM 0 HD3 LYS A 116 12.803 -3.960 -1.890 1.00 0.92 H new ATOM 0 HE2 LYS A 116 11.842 -3.839 -4.381 1.00 0.80 H new ATOM 0 HE3 LYS A 116 13.257 -2.838 -4.645 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 14.077 -4.919 -5.069 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.470 -4.780 -3.423 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 13.112 -5.682 -3.899 1.00 1.04 H new ATOM 1883 N LYS A 117 10.168 -2.489 -5.609 1.00 0.71 N ATOM 1884 CA LYS A 117 10.427 -3.019 -6.940 1.00 0.81 C ATOM 1885 C LYS A 117 9.387 -2.534 -7.948 1.00 0.79 C ATOM 1886 O LYS A 117 9.564 -2.710 -9.153 1.00 0.90 O ATOM 1887 CB LYS A 117 10.542 -4.548 -6.944 1.00 0.89 C ATOM 1888 CG LYS A 117 9.333 -5.294 -6.409 1.00 0.85 C ATOM 1889 CD LYS A 117 9.628 -6.788 -6.333 1.00 1.09 C ATOM 1890 CE LYS A 117 8.446 -7.593 -5.818 1.00 1.08 C ATOM 1891 NZ LYS A 117 8.810 -9.014 -5.578 1.00 1.48 N ATOM 0 H LYS A 117 9.679 -3.120 -4.974 1.00 0.71 H new ATOM 0 HA LYS A 117 11.396 -2.629 -7.251 1.00 0.81 H new ATOM 0 HB2 LYS A 117 10.729 -4.879 -7.966 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.413 -4.831 -6.353 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.072 -4.917 -5.420 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.473 -5.118 -7.055 1.00 0.85 H new ATOM 0 HD2 LYS A 117 9.906 -7.150 -7.323 1.00 1.09 H new ATOM 0 HD3 LYS A 117 10.486 -6.952 -5.681 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.080 -7.150 -4.892 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.630 -7.543 -6.539 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 7.974 -9.535 -5.244 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.152 -9.439 -6.464 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 9.559 -9.064 -4.859 1.00 1.48 H new ATOM 1905 N TYR A 118 8.305 -1.935 -7.464 1.00 0.69 N ATOM 1906 CA TYR A 118 7.385 -1.226 -8.351 1.00 0.68 C ATOM 1907 C TYR A 118 7.765 0.245 -8.434 1.00 0.69 C ATOM 1908 O TYR A 118 8.045 0.772 -9.513 1.00 0.77 O ATOM 1909 CB TYR A 118 5.933 -1.374 -7.884 1.00 0.64 C ATOM 1910 CG TYR A 118 5.432 -2.797 -7.960 1.00 0.88 C ATOM 1911 CD1 TYR A 118 5.725 -3.604 -9.050 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.656 -3.328 -6.939 1.00 1.04 C ATOM 1913 CE1 TYR A 118 5.255 -4.901 -9.122 1.00 1.86 C ATOM 1914 CE2 TYR A 118 4.179 -4.621 -7.004 1.00 1.43 C ATOM 1915 CZ TYR A 118 4.541 -5.424 -8.101 1.00 1.73 C ATOM 1916 OH TYR A 118 4.002 -6.691 -8.163 1.00 2.21 O ATOM 0 H TYR A 118 8.044 -1.924 -6.478 1.00 0.69 H new ATOM 0 HA TYR A 118 7.464 -1.671 -9.343 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.849 -1.019 -6.857 1.00 0.64 H new ATOM 0 HB3 TYR A 118 5.294 -0.736 -8.494 1.00 0.64 H new ATOM 0 HD1 TYR A 118 6.330 -3.212 -9.854 1.00 1.48 H new ATOM 0 HD2 TYR A 118 4.422 -2.718 -6.079 1.00 1.04 H new ATOM 0 HE1 TYR A 118 5.459 -5.499 -9.998 1.00 1.86 H new ATOM 0 HE2 TYR A 118 3.539 -5.010 -6.226 1.00 1.43 H new ATOM 0 HH TYR A 118 3.841 -7.023 -7.255 1.00 2.21 H new ATOM 1926 N LEU A 119 7.772 0.893 -7.289 1.00 0.66 N ATOM 1927 CA LEU A 119 8.215 2.266 -7.177 1.00 0.69 C ATOM 1928 C LEU A 119 9.347 2.323 -6.167 1.00 0.72 C ATOM 1929 O LEU A 119 9.133 2.073 -4.988 1.00 0.79 O ATOM 1930 CB LEU A 119 7.061 3.167 -6.739 1.00 0.71 C ATOM 1931 CG LEU A 119 7.398 4.654 -6.646 1.00 1.34 C ATOM 1932 CD1 LEU A 119 7.770 5.203 -8.014 1.00 2.00 C ATOM 1933 CD2 LEU A 119 6.232 5.426 -6.051 1.00 2.09 C ATOM 0 H LEU A 119 7.469 0.481 -6.406 1.00 0.66 H new ATOM 0 HA LEU A 119 8.565 2.622 -8.146 1.00 0.69 H new ATOM 0 HB2 LEU A 119 6.236 3.041 -7.440 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.706 2.829 -5.765 1.00 0.71 H new ATOM 0 HG LEU A 119 8.258 4.775 -5.987 1.00 1.34 H new ATOM 0 HD11 LEU A 119 8.007 6.263 -7.928 1.00 2.00 H new ATOM 0 HD12 LEU A 119 8.638 4.667 -8.397 1.00 2.00 H new ATOM 0 HD13 LEU A 119 6.932 5.073 -8.699 1.00 2.00 H new ATOM 0 HD21 LEU A 119 6.488 6.484 -5.992 1.00 2.09 H new ATOM 0 HD22 LEU A 119 5.353 5.301 -6.683 1.00 2.09 H new ATOM 0 HD23 LEU A 119 6.018 5.048 -5.051 1.00 2.09 H new ATOM 1945 N PRO A 120 10.575 2.570 -6.627 1.00 0.72 N ATOM 1946 CA PRO A 120 11.747 2.578 -5.772 1.00 0.75 C ATOM 1947 C PRO A 120 12.236 3.979 -5.383 1.00 0.77 C ATOM 1948 O PRO A 120 12.124 4.937 -6.157 1.00 0.92 O ATOM 1949 CB PRO A 120 12.764 1.915 -6.684 1.00 0.79 C ATOM 1950 CG PRO A 120 12.412 2.397 -8.061 1.00 0.78 C ATOM 1951 CD PRO A 120 10.949 2.796 -8.028 1.00 0.75 C ATOM 0 HA PRO A 120 11.562 2.095 -4.812 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.782 2.197 -6.414 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.706 0.829 -6.618 1.00 0.79 H new ATOM 0 HG2 PRO A 120 13.037 3.244 -8.345 1.00 0.78 H new ATOM 0 HG3 PRO A 120 12.582 1.614 -8.799 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.808 3.837 -8.320 1.00 0.75 H new ATOM 0 HD3 PRO A 120 10.350 2.190 -8.708 1.00 0.75 H new ATOM 1959 N LEU A 121 12.802 4.083 -4.187 1.00 0.70 N ATOM 1960 CA LEU A 121 13.415 5.314 -3.724 1.00 0.69 C ATOM 1961 C LEU A 121 14.841 5.019 -3.298 1.00 0.82 C ATOM 1962 O LEU A 121 15.806 5.410 -3.957 1.00 1.00 O ATOM 1963 CB LEU A 121 12.648 5.859 -2.520 1.00 0.55 C ATOM 1964 CG LEU A 121 12.588 7.380 -2.368 1.00 0.58 C ATOM 1965 CD1 LEU A 121 12.167 7.725 -0.954 1.00 1.23 C ATOM 1966 CD2 LEU A 121 13.914 8.037 -2.709 1.00 1.25 C ATOM 0 H LEU A 121 12.847 3.317 -3.515 1.00 0.70 H new ATOM 0 HA LEU A 121 13.398 6.050 -4.528 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.626 5.483 -2.570 1.00 0.55 H new ATOM 0 HB3 LEU A 121 13.096 5.445 -1.617 1.00 0.55 H new ATOM 0 HG LEU A 121 11.853 7.767 -3.074 1.00 0.58 H new ATOM 0 HD11 LEU A 121 12.123 8.808 -0.842 1.00 1.23 H new ATOM 0 HD12 LEU A 121 11.184 7.299 -0.753 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.891 7.316 -0.249 1.00 1.23 H new ATOM 0 HD21 LEU A 121 13.827 9.117 -2.588 1.00 1.25 H new ATOM 0 HD22 LEU A 121 14.690 7.658 -2.043 1.00 1.25 H new ATOM 0 HD23 LEU A 121 14.179 7.808 -3.741 1.00 1.25 H new ATOM 1978 N LYS A 122 14.947 4.301 -2.191 1.00 0.82 N ATOM 1979 CA LYS A 122 16.228 3.945 -1.601 1.00 1.05 C ATOM 1980 C LYS A 122 16.192 2.472 -1.245 1.00 1.07 C ATOM 1981 O LYS A 122 16.950 1.675 -1.791 1.00 1.32 O ATOM 1982 CB LYS A 122 16.503 4.769 -0.333 1.00 1.11 C ATOM 1983 CG LYS A 122 16.399 6.274 -0.527 1.00 1.18 C ATOM 1984 CD LYS A 122 17.457 6.792 -1.483 1.00 1.87 C ATOM 1985 CE LYS A 122 17.269 8.274 -1.760 1.00 2.07 C ATOM 1986 NZ LYS A 122 18.255 8.785 -2.743 1.00 2.78 N ATOM 0 H LYS A 122 14.142 3.947 -1.674 1.00 0.82 H new ATOM 0 HA LYS A 122 17.022 4.154 -2.317 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.800 4.465 0.443 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.502 4.530 0.031 1.00 1.11 H new ATOM 0 HG2 LYS A 122 15.409 6.524 -0.910 1.00 1.18 H new ATOM 0 HG3 LYS A 122 16.504 6.773 0.436 1.00 1.18 H new ATOM 0 HD2 LYS A 122 18.447 6.621 -1.061 1.00 1.87 H new ATOM 0 HD3 LYS A 122 17.409 6.235 -2.419 1.00 1.87 H new ATOM 0 HE2 LYS A 122 16.260 8.448 -2.135 1.00 2.07 H new ATOM 0 HE3 LYS A 122 17.363 8.832 -0.828 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 18.092 9.799 -2.903 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 19.217 8.643 -2.375 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 18.148 8.271 -3.641 1.00 2.78 H new ATOM 2000 N SER A 123 15.276 2.153 -0.323 1.00 0.92 N ATOM 2001 CA SER A 123 14.941 0.786 0.090 1.00 1.00 C ATOM 2002 C SER A 123 16.143 -0.158 0.158 1.00 1.56 C ATOM 2003 O SER A 123 16.785 -0.288 1.202 1.00 2.17 O ATOM 2004 CB SER A 123 13.851 0.214 -0.823 1.00 0.86 C ATOM 2005 OG SER A 123 14.151 0.433 -2.193 1.00 1.48 O ATOM 0 H SER A 123 14.732 2.860 0.171 1.00 0.92 H new ATOM 0 HA SER A 123 14.569 0.858 1.112 1.00 1.00 H new ATOM 0 HB2 SER A 123 13.745 -0.855 -0.639 1.00 0.86 H new ATOM 0 HB3 SER A 123 12.893 0.675 -0.581 1.00 0.86 H new ATOM 0 HG SER A 123 13.439 0.967 -2.602 1.00 1.48 H new ATOM 2011 N ASN A 124 16.438 -0.809 -0.957 1.00 2.15 N ATOM 2012 CA ASN A 124 17.493 -1.802 -1.020 1.00 2.87 C ATOM 2013 C ASN A 124 17.986 -1.924 -2.455 1.00 3.13 C ATOM 2014 O ASN A 124 17.205 -2.236 -3.357 1.00 3.71 O ATOM 2015 CB ASN A 124 16.958 -3.149 -0.523 1.00 3.66 C ATOM 2016 CG ASN A 124 18.028 -4.216 -0.372 1.00 4.66 C ATOM 2017 OD1 ASN A 124 17.769 -5.396 -0.604 1.00 5.26 O ATOM 2018 ND2 ASN A 124 19.222 -3.825 0.048 1.00 5.20 N ATOM 0 H ASN A 124 15.952 -0.662 -1.841 1.00 2.15 H new ATOM 0 HA ASN A 124 18.325 -1.499 -0.385 1.00 2.87 H new ATOM 0 HB2 ASN A 124 16.467 -3.002 0.439 1.00 3.66 H new ATOM 0 HB3 ASN A 124 16.198 -3.506 -1.218 1.00 3.66 H new ATOM 0 HD21 ASN A 124 19.963 -4.512 0.189 1.00 5.20 H new ATOM 0 HD22 ASN A 124 19.400 -2.837 0.230 1.00 5.20 H new ATOM 2025 N LEU A 125 19.272 -1.665 -2.667 1.00 3.30 N ATOM 2026 CA LEU A 125 19.874 -1.754 -3.997 1.00 4.11 C ATOM 2027 C LEU A 125 20.235 -3.202 -4.312 1.00 4.82 C ATOM 2028 O LEU A 125 21.305 -3.489 -4.857 1.00 5.53 O ATOM 2029 CB LEU A 125 21.122 -0.868 -4.070 1.00 4.53 C ATOM 2030 CG LEU A 125 20.878 0.618 -3.796 1.00 5.13 C ATOM 2031 CD1 LEU A 125 22.186 1.389 -3.850 1.00 5.75 C ATOM 2032 CD2 LEU A 125 19.875 1.193 -4.787 1.00 5.59 C ATOM 0 H LEU A 125 19.923 -1.390 -1.931 1.00 3.30 H new ATOM 0 HA LEU A 125 19.153 -1.404 -4.736 1.00 4.11 H new ATOM 0 HB2 LEU A 125 21.855 -1.239 -3.353 1.00 4.53 H new ATOM 0 HB3 LEU A 125 21.565 -0.971 -5.061 1.00 4.53 H new ATOM 0 HG LEU A 125 20.459 0.717 -2.794 1.00 5.13 H new ATOM 0 HD11 LEU A 125 21.995 2.444 -3.653 1.00 5.75 H new ATOM 0 HD12 LEU A 125 22.870 0.998 -3.097 1.00 5.75 H new ATOM 0 HD13 LEU A 125 22.632 1.279 -4.838 1.00 5.75 H new ATOM 0 HD21 LEU A 125 19.717 2.250 -4.573 1.00 5.59 H new ATOM 0 HD22 LEU A 125 20.260 1.081 -5.801 1.00 5.59 H new ATOM 0 HD23 LEU A 125 18.929 0.660 -4.698 1.00 5.59 H new ATOM 2044 N GLU A 126 19.298 -4.088 -4.000 1.00 5.03 N ATOM 2045 CA GLU A 126 19.489 -5.532 -4.066 1.00 6.01 C ATOM 2046 C GLU A 126 20.026 -6.009 -5.412 1.00 6.63 C ATOM 2047 O GLU A 126 21.073 -6.652 -5.481 1.00 6.74 O ATOM 2048 CB GLU A 126 18.165 -6.240 -3.735 1.00 6.68 C ATOM 2049 CG GLU A 126 16.907 -5.409 -4.014 1.00 7.19 C ATOM 2050 CD GLU A 126 16.535 -5.313 -5.485 1.00 8.09 C ATOM 2051 OE1 GLU A 126 17.083 -4.433 -6.179 1.00 8.65 O ATOM 2052 OE2 GLU A 126 15.705 -6.117 -5.958 1.00 8.43 O ATOM 0 H GLU A 126 18.365 -3.818 -3.688 1.00 5.03 H new ATOM 0 HA GLU A 126 20.249 -5.790 -3.328 1.00 6.01 H new ATOM 0 HB2 GLU A 126 18.109 -7.164 -4.311 1.00 6.68 H new ATOM 0 HB3 GLU A 126 18.172 -6.521 -2.682 1.00 6.68 H new ATOM 0 HG2 GLU A 126 16.070 -5.843 -3.467 1.00 7.19 H new ATOM 0 HG3 GLU A 126 17.056 -4.403 -3.622 1.00 7.19 H new ATOM 2059 N HIS A 127 19.317 -5.696 -6.474 1.00 7.33 N ATOM 2060 CA HIS A 127 19.654 -6.204 -7.790 1.00 8.24 C ATOM 2061 C HIS A 127 19.755 -5.060 -8.777 1.00 8.84 C ATOM 2062 O HIS A 127 20.841 -4.723 -9.249 1.00 8.87 O ATOM 2063 CB HIS A 127 18.589 -7.204 -8.262 1.00 8.80 C ATOM 2064 CG HIS A 127 18.312 -8.308 -7.288 1.00 9.00 C ATOM 2065 ND1 HIS A 127 17.219 -8.313 -6.443 1.00 9.40 N ATOM 2066 CD2 HIS A 127 18.993 -9.446 -7.023 1.00 9.14 C ATOM 2067 CE1 HIS A 127 17.246 -9.406 -5.704 1.00 9.73 C ATOM 2068 NE2 HIS A 127 18.310 -10.109 -6.038 1.00 9.58 N ATOM 0 H HIS A 127 18.498 -5.088 -6.454 1.00 7.33 H new ATOM 0 HA HIS A 127 20.616 -6.713 -7.732 1.00 8.24 H new ATOM 0 HB2 HIS A 127 17.662 -6.665 -8.458 1.00 8.80 H new ATOM 0 HB3 HIS A 127 18.910 -7.640 -9.208 1.00 8.80 H new ATOM 0 HD1 HIS A 127 16.504 -7.587 -6.398 1.00 9.40 H new ATOM 0 HD2 HIS A 127 19.906 -9.772 -7.500 1.00 9.14 H new ATOM 0 HE1 HIS A 127 16.519 -9.678 -4.953 1.00 9.73 H new ATOM 2077 N HIS A 128 18.621 -4.437 -9.051 1.00 9.55 N ATOM 2078 CA HIS A 128 18.558 -3.387 -10.052 1.00 10.37 C ATOM 2079 C HIS A 128 18.874 -2.028 -9.442 1.00 10.87 C ATOM 2080 O HIS A 128 17.987 -1.216 -9.181 1.00 11.49 O ATOM 2081 CB HIS A 128 17.197 -3.382 -10.772 1.00 11.23 C ATOM 2082 CG HIS A 128 15.999 -3.428 -9.867 1.00 11.65 C ATOM 2083 ND1 HIS A 128 15.410 -4.605 -9.460 1.00 12.20 N ATOM 2084 CD2 HIS A 128 15.269 -2.435 -9.306 1.00 11.83 C ATOM 2085 CE1 HIS A 128 14.373 -4.336 -8.691 1.00 12.67 C ATOM 2086 NE2 HIS A 128 14.263 -3.024 -8.580 1.00 12.47 N ATOM 0 H HIS A 128 17.732 -4.641 -8.594 1.00 9.55 H new ATOM 0 HA HIS A 128 19.321 -3.595 -10.802 1.00 10.37 H new ATOM 0 HB2 HIS A 128 17.133 -2.486 -11.389 1.00 11.23 H new ATOM 0 HB3 HIS A 128 17.157 -4.237 -11.447 1.00 11.23 H new ATOM 0 HD2 HIS A 128 15.445 -1.375 -9.410 1.00 11.83 H new ATOM 0 HE1 HIS A 128 13.723 -5.065 -8.230 1.00 12.67 H new ATOM 0 HE2 HIS A 128 13.549 -2.530 -8.044 1.00 12.47 H new ATOM 2095 N HIS A 129 20.152 -1.804 -9.180 1.00 10.78 N ATOM 2096 CA HIS A 129 20.615 -0.513 -8.695 1.00 11.47 C ATOM 2097 C HIS A 129 21.115 0.329 -9.861 1.00 12.43 C ATOM 2098 O HIS A 129 22.199 0.105 -10.391 1.00 12.92 O ATOM 2099 CB HIS A 129 21.695 -0.659 -7.605 1.00 11.24 C ATOM 2100 CG HIS A 129 22.722 -1.728 -7.852 1.00 11.36 C ATOM 2101 ND1 HIS A 129 22.761 -2.907 -7.133 1.00 11.57 N ATOM 2102 CD2 HIS A 129 23.765 -1.787 -8.715 1.00 11.54 C ATOM 2103 CE1 HIS A 129 23.778 -3.638 -7.546 1.00 11.86 C ATOM 2104 NE2 HIS A 129 24.404 -2.983 -8.505 1.00 11.85 N ATOM 0 H HIS A 129 20.888 -2.500 -9.295 1.00 10.78 H new ATOM 0 HA HIS A 129 19.771 -0.004 -8.230 1.00 11.47 H new ATOM 0 HB2 HIS A 129 22.209 0.296 -7.497 1.00 11.24 H new ATOM 0 HB3 HIS A 129 21.202 -0.865 -6.655 1.00 11.24 H new ATOM 0 HD1 HIS A 129 22.105 -3.171 -6.397 1.00 11.57 H new ATOM 0 HD2 HIS A 129 24.042 -1.032 -9.435 1.00 11.54 H new ATOM 0 HE1 HIS A 129 24.052 -4.610 -7.163 1.00 11.86 H new ATOM 2113 N HIS A 130 20.299 1.289 -10.262 1.00 12.86 N ATOM 2114 CA HIS A 130 20.566 2.084 -11.451 1.00 13.91 C ATOM 2115 C HIS A 130 21.058 3.473 -11.066 1.00 14.53 C ATOM 2116 O HIS A 130 20.479 4.117 -10.187 1.00 14.74 O ATOM 2117 CB HIS A 130 19.283 2.205 -12.282 1.00 14.42 C ATOM 2118 CG HIS A 130 19.496 2.644 -13.700 1.00 15.19 C ATOM 2119 ND1 HIS A 130 19.183 3.904 -14.162 1.00 15.61 N ATOM 2120 CD2 HIS A 130 19.959 1.960 -14.770 1.00 15.79 C ATOM 2121 CE1 HIS A 130 19.441 3.971 -15.454 1.00 16.39 C ATOM 2122 NE2 HIS A 130 19.914 2.806 -15.848 1.00 16.51 N ATOM 0 H HIS A 130 19.437 1.539 -9.777 1.00 12.86 H new ATOM 0 HA HIS A 130 21.341 1.590 -12.038 1.00 13.91 H new ATOM 0 HB2 HIS A 130 18.777 1.240 -12.287 1.00 14.42 H new ATOM 0 HB3 HIS A 130 18.614 2.913 -11.793 1.00 14.42 H new ATOM 0 HD1 HIS A 130 18.810 4.665 -13.594 1.00 15.61 H new ATOM 0 HD2 HIS A 130 20.301 0.936 -14.775 1.00 15.79 H new ATOM 0 HE1 HIS A 130 19.290 4.836 -16.083 1.00 16.39 H new ATOM 2131 N HIS A 131 22.125 3.929 -11.704 1.00 14.97 N ATOM 2132 CA HIS A 131 22.587 5.293 -11.492 1.00 15.74 C ATOM 2133 C HIS A 131 21.843 6.229 -12.443 1.00 16.72 C ATOM 2134 O HIS A 131 22.057 6.209 -13.658 1.00 17.05 O ATOM 2135 CB HIS A 131 24.120 5.421 -11.632 1.00 15.86 C ATOM 2136 CG HIS A 131 24.667 5.280 -13.025 1.00 16.30 C ATOM 2137 ND1 HIS A 131 25.007 6.363 -13.808 1.00 16.54 N ATOM 2138 CD2 HIS A 131 24.958 4.183 -13.762 1.00 16.69 C ATOM 2139 CE1 HIS A 131 25.481 5.939 -14.964 1.00 17.06 C ATOM 2140 NE2 HIS A 131 25.459 4.621 -14.961 1.00 17.15 N ATOM 0 H HIS A 131 22.681 3.384 -12.364 1.00 14.97 H new ATOM 0 HA HIS A 131 22.362 5.582 -10.465 1.00 15.74 H new ATOM 0 HB2 HIS A 131 24.421 6.393 -11.241 1.00 15.86 H new ATOM 0 HB3 HIS A 131 24.587 4.665 -11.001 1.00 15.86 H new ATOM 0 HD2 HIS A 131 24.821 3.155 -13.462 1.00 16.69 H new ATOM 0 HE1 HIS A 131 25.827 6.564 -15.774 1.00 17.06 H new ATOM 0 HE2 HIS A 131 25.766 4.023 -15.728 1.00 17.15 H new ATOM 2149 N HIS A 132 20.933 7.011 -11.869 1.00 17.28 N ATOM 2150 CA HIS A 132 20.053 7.892 -12.628 1.00 18.32 C ATOM 2151 C HIS A 132 19.288 7.093 -13.682 1.00 19.08 C ATOM 2152 O HIS A 132 18.406 6.299 -13.296 1.00 19.24 O ATOM 2153 CB HIS A 132 20.847 9.027 -13.288 1.00 18.50 C ATOM 2154 CG HIS A 132 19.984 10.130 -13.823 1.00 18.62 C ATOM 2155 ND1 HIS A 132 19.535 10.176 -15.126 1.00 18.99 N ATOM 2156 CD2 HIS A 132 19.481 11.231 -13.220 1.00 18.56 C ATOM 2157 CE1 HIS A 132 18.797 11.253 -15.298 1.00 19.14 C ATOM 2158 NE2 HIS A 132 18.744 11.911 -14.157 1.00 18.89 N ATOM 2159 OXT HIS A 132 19.579 7.250 -14.886 1.00 19.60 O ATOM 0 H HIS A 132 20.785 7.051 -10.861 1.00 17.28 H new ATOM 0 HA HIS A 132 19.338 8.338 -11.937 1.00 18.32 H new ATOM 0 HB2 HIS A 132 21.544 9.443 -12.560 1.00 18.50 H new ATOM 0 HB3 HIS A 132 21.444 8.616 -14.102 1.00 18.50 H new ATOM 0 HD2 HIS A 132 19.632 11.522 -12.191 1.00 18.56 H new ATOM 0 HE1 HIS A 132 18.316 11.548 -16.219 1.00 19.14 H new ATOM 0 HE2 HIS A 132 18.238 12.782 -13.997 1.00 18.89 H new TER 2168 HIS A 132