USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 ASN :FLIP amide:sc= 0 F(o=-3.8,f=-2.6) USER MOD Set 1.2: B 39 GLN :FLIP amide:sc= -2.57 X(o=-2.7!,f=-2.6) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.386 K(o=2.1,f=-2.1) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -173:sc= 1.7 (180deg=1.15) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -88:sc= -1.61 USER MOD Single : A 19 MET CE :methyl -164:sc= -0.082 (180deg=-0.405) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.474 (180deg=0.143) USER MOD Single : A 21 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -76:sc= 0.123 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0315) USER MOD Single : A 39 GLN : amide:sc= -2.6! K(o=-2.6!,f=-3.2) USER MOD Single : A 44 THR OG1 : rot -27:sc= 0.94 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -5.29! C(o=-6.5!,f=-5.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.631 F(o=-2.2,f=-0.63) USER MOD Single : B 9 LYS NZ :NH3+ 166:sc= -0.0211 (180deg=-0.202) USER MOD Single : B 15 CYS SG : rot -152:sc= 1.36 USER MOD Single : B 19 MET CE :methyl 178:sc= 0 (180deg=-0.00976) USER MOD Single : B 20 LYS NZ :NH3+ -156:sc= -0.553 (180deg=-0.939!) USER MOD Single : B 21 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -88:sc= 1.27 USER MOD Single : B 30 ASN : amide:sc= -0.0544 K(o=-0.054,f=-6.2!) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.119) USER MOD Single : B 35 LYS NZ :NH3+ 157:sc= 0.148 (180deg=-2.43!) USER MOD Single : B 44 THR OG1 : rot -7:sc= 0.325 USER MOD Single : B 45 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-7.8!) USER MOD Single : B 54 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.321 F(o=-5!,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -5.351 -7.092 7.070 1.00 0.00 N ATOM 57 CA VAL A 5 -6.160 -5.867 7.111 1.00 0.00 C ATOM 58 C VAL A 5 -5.375 -4.587 7.414 1.00 0.00 C ATOM 59 O VAL A 5 -5.161 -4.210 8.574 1.00 0.00 O ATOM 60 CB VAL A 5 -7.391 -6.007 8.024 1.00 0.00 C ATOM 61 CG1 VAL A 5 -8.271 -4.769 7.928 1.00 0.00 C ATOM 62 CG2 VAL A 5 -8.186 -7.248 7.649 1.00 0.00 C ATOM 0 HA VAL A 5 -6.514 -5.747 6.087 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.048 -6.108 9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.136 -4.886 8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.701 -3.893 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.607 -4.640 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.054 -7.335 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.518 -7.169 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.557 -8.131 7.762 1.00 0.00 H new ATOM 72 N ASN A 6 -4.958 -3.942 6.376 1.00 0.00 N ATOM 73 CA ASN A 6 -4.205 -2.714 6.465 1.00 0.00 C ATOM 74 C ASN A 6 -4.592 -1.814 5.362 1.00 0.00 C ATOM 75 O ASN A 6 -4.326 -2.095 4.188 1.00 0.00 O ATOM 76 CB ASN A 6 -2.683 -2.920 6.452 1.00 0.00 C ATOM 77 CG ASN A 6 -2.065 -3.040 7.831 1.00 0.00 C ATOM 78 OD1 ASN A 6 -1.691 -2.039 8.441 1.00 0.00 O ATOM 79 ND2 ASN A 6 -1.938 -4.237 8.327 1.00 0.00 N ATOM 0 H ASN A 6 -5.129 -4.251 5.419 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.449 -2.271 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.453 -3.821 5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.218 -2.085 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.518 -4.366 9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.259 -5.046 7.795 1.00 0.00 H new ATOM 86 N VAL A 7 -5.319 -0.816 5.708 1.00 0.00 N ATOM 87 CA VAL A 7 -5.690 0.204 4.789 1.00 0.00 C ATOM 88 C VAL A 7 -5.063 1.495 5.299 1.00 0.00 C ATOM 89 O VAL A 7 -5.375 1.934 6.411 1.00 0.00 O ATOM 90 CB VAL A 7 -7.233 0.381 4.709 1.00 0.00 C ATOM 91 CG1 VAL A 7 -7.644 1.377 3.636 1.00 0.00 C ATOM 92 CG2 VAL A 7 -7.936 -0.952 4.539 1.00 0.00 C ATOM 0 H VAL A 7 -5.681 -0.680 6.652 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.346 -0.059 3.789 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.554 0.801 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.730 1.466 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.204 2.350 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.293 1.030 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.013 -0.791 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.595 -1.429 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.706 -1.596 5.388 1.00 0.00 H new ATOM 102 N LEU A 8 -4.187 2.072 4.536 1.00 0.00 N ATOM 103 CA LEU A 8 -3.482 3.274 4.952 1.00 0.00 C ATOM 104 C LEU A 8 -2.970 3.984 3.733 1.00 0.00 C ATOM 105 O LEU A 8 -3.048 3.443 2.631 1.00 0.00 O ATOM 106 CB LEU A 8 -2.300 2.970 5.907 1.00 0.00 C ATOM 107 CG LEU A 8 -1.135 2.194 5.368 1.00 0.00 C ATOM 108 CD1 LEU A 8 -0.009 2.273 6.368 1.00 0.00 C ATOM 109 CD2 LEU A 8 -1.482 0.740 5.099 1.00 0.00 C ATOM 0 H LEU A 8 -3.932 1.735 3.608 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.186 3.899 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.922 3.921 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.696 2.424 6.764 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.843 2.632 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.849 1.714 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.273 3.315 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.335 1.847 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.605 0.223 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.802 0.265 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.288 0.688 4.367 1.00 0.00 H new ATOM 121 N LYS A 9 -2.447 5.169 3.904 1.00 0.00 N ATOM 122 CA LYS A 9 -1.985 5.920 2.775 1.00 0.00 C ATOM 123 C LYS A 9 -0.502 6.262 2.772 1.00 0.00 C ATOM 124 O LYS A 9 0.116 6.477 3.819 1.00 0.00 O ATOM 125 CB LYS A 9 -2.916 7.084 2.450 1.00 0.00 C ATOM 126 CG LYS A 9 -3.339 7.987 3.623 1.00 0.00 C ATOM 127 CD LYS A 9 -2.221 8.873 4.164 1.00 0.00 C ATOM 128 CE LYS A 9 -1.756 9.889 3.131 1.00 0.00 C ATOM 129 NZ LYS A 9 -0.820 10.870 3.712 1.00 0.00 N ATOM 0 H LYS A 9 -2.332 5.629 4.807 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.046 5.236 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.430 7.708 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.818 6.679 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.165 8.620 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.715 7.361 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.569 9.394 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.379 8.251 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.272 9.371 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.620 10.410 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.525 11.545 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.290 11.382 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.016 10.375 4.082 1.00 0.00 H new ATOM 143 N GLY A 10 0.050 6.305 1.580 1.00 0.00 N ATOM 144 CA GLY A 10 1.441 6.539 1.381 1.00 0.00 C ATOM 145 C GLY A 10 1.849 6.170 -0.032 1.00 0.00 C ATOM 146 O GLY A 10 1.146 6.507 -0.990 1.00 0.00 O ATOM 0 H GLY A 10 -0.474 6.175 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.669 7.588 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.019 5.954 2.096 1.00 0.00 H new ATOM 150 N VAL A 11 2.941 5.455 -0.153 1.00 0.00 N ATOM 151 CA VAL A 11 3.485 5.038 -1.426 1.00 0.00 C ATOM 152 C VAL A 11 3.534 3.516 -1.508 1.00 0.00 C ATOM 153 O VAL A 11 4.047 2.838 -0.609 1.00 0.00 O ATOM 154 CB VAL A 11 4.910 5.634 -1.672 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.555 5.028 -2.897 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.834 7.127 -1.857 1.00 0.00 C ATOM 0 H VAL A 11 3.489 5.139 0.647 1.00 0.00 H new ATOM 0 HA VAL A 11 2.825 5.420 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 11 5.514 5.398 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.544 5.463 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.649 3.950 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.938 5.233 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.835 7.524 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.202 7.356 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.410 7.583 -0.963 1.00 0.00 H new ATOM 166 N LEU A 12 3.007 3.000 -2.561 1.00 0.00 N ATOM 167 CA LEU A 12 2.989 1.594 -2.797 1.00 0.00 C ATOM 168 C LEU A 12 3.991 1.261 -3.849 1.00 0.00 C ATOM 169 O LEU A 12 4.080 1.956 -4.867 1.00 0.00 O ATOM 170 CB LEU A 12 1.649 1.175 -3.311 1.00 0.00 C ATOM 171 CG LEU A 12 1.558 -0.257 -3.792 1.00 0.00 C ATOM 172 CD1 LEU A 12 1.523 -1.233 -2.635 1.00 0.00 C ATOM 173 CD2 LEU A 12 0.394 -0.416 -4.704 1.00 0.00 C ATOM 0 H LEU A 12 2.567 3.551 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 12 3.213 1.083 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.913 1.323 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.371 1.835 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 12 2.459 -0.492 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.458 -2.251 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.431 -1.127 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.655 -1.025 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.337 -1.450 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.522 -0.158 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.513 0.243 -5.564 1.00 0.00 H new ATOM 185 N ILE A 13 4.720 0.213 -3.646 1.00 0.00 N ATOM 186 CA ILE A 13 5.642 -0.196 -4.625 1.00 0.00 C ATOM 187 C ILE A 13 5.541 -1.681 -4.928 1.00 0.00 C ATOM 188 O ILE A 13 5.320 -2.514 -4.035 1.00 0.00 O ATOM 189 CB ILE A 13 7.107 0.263 -4.289 1.00 0.00 C ATOM 190 CG1 ILE A 13 8.107 -0.176 -5.378 1.00 0.00 C ATOM 191 CG2 ILE A 13 7.542 -0.225 -2.913 1.00 0.00 C ATOM 192 CD1 ILE A 13 9.500 0.401 -5.212 1.00 0.00 C ATOM 0 H ILE A 13 4.687 -0.368 -2.808 1.00 0.00 H new ATOM 0 HA ILE A 13 5.370 0.316 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 13 7.105 1.353 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.174 -1.264 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.718 0.118 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.560 0.110 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.871 0.179 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.507 -1.314 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.141 0.043 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.449 1.489 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.913 0.086 -4.254 1.00 0.00 H new ATOM 204 N GLU A 14 5.589 -1.980 -6.199 1.00 0.00 N ATOM 205 CA GLU A 14 5.761 -3.311 -6.663 1.00 0.00 C ATOM 206 C GLU A 14 7.162 -3.366 -7.029 1.00 0.00 C ATOM 207 O GLU A 14 7.602 -2.595 -7.902 1.00 0.00 O ATOM 208 CB GLU A 14 4.944 -3.622 -7.911 1.00 0.00 C ATOM 209 CG GLU A 14 5.386 -4.925 -8.629 1.00 0.00 C ATOM 210 CD GLU A 14 5.161 -6.182 -7.838 1.00 0.00 C ATOM 211 OE1 GLU A 14 5.622 -6.278 -6.703 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.413 -7.054 -8.325 1.00 0.00 O ATOM 0 H GLU A 14 5.507 -1.288 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 14 5.444 -4.023 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.893 -3.706 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.026 -2.787 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.848 -5.004 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.446 -4.849 -8.872 1.00 0.00 H new ATOM 219 N CYS A 15 7.828 -4.246 -6.407 1.00 0.00 N ATOM 220 CA CYS A 15 9.214 -4.362 -6.494 1.00 0.00 C ATOM 221 C CYS A 15 9.562 -5.629 -7.220 1.00 0.00 C ATOM 222 O CYS A 15 8.710 -6.307 -7.801 1.00 0.00 O ATOM 223 CB CYS A 15 9.768 -4.460 -5.064 1.00 0.00 C ATOM 224 SG CYS A 15 9.334 -3.099 -3.970 1.00 0.00 S ATOM 0 H CYS A 15 7.398 -4.938 -5.793 1.00 0.00 H new ATOM 0 HA CYS A 15 9.632 -3.506 -7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.413 -5.389 -4.618 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.855 -4.528 -5.118 1.00 0.00 H new ATOM 0 HG CYS A 15 10.211 -2.147 -4.093 1.00 0.00 H new ATOM 230 N ASP A 16 10.806 -5.907 -7.220 1.00 0.00 N ATOM 231 CA ASP A 16 11.306 -7.169 -7.619 1.00 0.00 C ATOM 232 C ASP A 16 11.569 -7.853 -6.298 1.00 0.00 C ATOM 233 O ASP A 16 11.888 -7.145 -5.325 1.00 0.00 O ATOM 234 CB ASP A 16 12.621 -6.976 -8.377 1.00 0.00 C ATOM 235 CG ASP A 16 13.203 -8.260 -8.931 1.00 0.00 C ATOM 236 OD1 ASP A 16 13.784 -9.052 -8.165 1.00 0.00 O ATOM 237 OD2 ASP A 16 13.122 -8.484 -10.165 1.00 0.00 O ATOM 0 H ASP A 16 11.529 -5.247 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 16 10.635 -7.727 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.457 -6.279 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.350 -6.516 -7.710 1.00 0.00 H new ATOM 242 N PRO A 17 11.396 -9.173 -6.175 1.00 0.00 N ATOM 243 CA PRO A 17 11.682 -9.890 -4.924 1.00 0.00 C ATOM 244 C PRO A 17 13.061 -9.519 -4.340 1.00 0.00 C ATOM 245 O PRO A 17 13.220 -9.385 -3.120 1.00 0.00 O ATOM 246 CB PRO A 17 11.649 -11.345 -5.346 1.00 0.00 C ATOM 247 CG PRO A 17 10.699 -11.385 -6.489 1.00 0.00 C ATOM 248 CD PRO A 17 10.854 -10.078 -7.209 1.00 0.00 C ATOM 0 HA PRO A 17 10.970 -9.646 -4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.638 -11.694 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.315 -11.986 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.921 -12.222 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.675 -11.518 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.531 -10.166 -8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.901 -9.718 -7.597 1.00 0.00 H new ATOM 256 N ALA A 18 14.015 -9.272 -5.237 1.00 0.00 N ATOM 257 CA ALA A 18 15.372 -8.872 -4.889 1.00 0.00 C ATOM 258 C ALA A 18 15.361 -7.533 -4.154 1.00 0.00 C ATOM 259 O ALA A 18 15.996 -7.367 -3.098 1.00 0.00 O ATOM 260 CB ALA A 18 16.147 -8.725 -6.160 1.00 0.00 C ATOM 0 H ALA A 18 13.861 -9.346 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 18 15.822 -9.622 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.169 -8.425 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.158 -9.677 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.678 -7.966 -6.786 1.00 0.00 H new ATOM 266 N MET A 19 14.605 -6.600 -4.706 1.00 0.00 N ATOM 267 CA MET A 19 14.456 -5.267 -4.150 1.00 0.00 C ATOM 268 C MET A 19 13.807 -5.341 -2.790 1.00 0.00 C ATOM 269 O MET A 19 14.204 -4.645 -1.847 1.00 0.00 O ATOM 270 CB MET A 19 13.620 -4.387 -5.088 1.00 0.00 C ATOM 271 CG MET A 19 13.266 -3.011 -4.521 1.00 0.00 C ATOM 272 SD MET A 19 12.260 -2.010 -5.647 1.00 0.00 S ATOM 273 CE MET A 19 13.362 -1.820 -7.049 1.00 0.00 C ATOM 0 H MET A 19 14.071 -6.749 -5.563 1.00 0.00 H new ATOM 0 HA MET A 19 15.445 -4.821 -4.045 1.00 0.00 H new ATOM 0 HB2 MET A 19 14.167 -4.251 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.697 -4.913 -5.333 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.728 -3.140 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.186 -2.473 -4.291 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.005 -1.010 -7.685 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.366 -1.588 -6.694 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.385 -2.747 -7.622 1.00 0.00 H new ATOM 283 N LYS A 20 12.834 -6.220 -2.679 1.00 0.00 N ATOM 284 CA LYS A 20 12.123 -6.407 -1.444 1.00 0.00 C ATOM 285 C LYS A 20 13.101 -6.943 -0.389 1.00 0.00 C ATOM 286 O LYS A 20 13.054 -6.541 0.762 1.00 0.00 O ATOM 287 CB LYS A 20 10.920 -7.356 -1.667 1.00 0.00 C ATOM 288 CG LYS A 20 9.664 -7.058 -0.818 1.00 0.00 C ATOM 289 CD LYS A 20 9.498 -7.914 0.457 1.00 0.00 C ATOM 290 CE LYS A 20 10.503 -7.670 1.511 1.00 0.00 C ATOM 291 NZ LYS A 20 10.316 -6.341 2.124 1.00 0.00 N ATOM 0 H LYS A 20 12.519 -6.820 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 20 11.719 -5.461 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.641 -7.318 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.243 -8.376 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.685 -6.008 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.783 -7.198 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.507 -7.731 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.537 -8.967 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.426 -8.442 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.504 -7.741 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.184 -6.065 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.109 -5.642 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.523 -6.377 2.796 1.00 0.00 H new ATOM 305 N GLN A 21 14.008 -7.802 -0.797 1.00 0.00 N ATOM 306 CA GLN A 21 15.000 -8.349 0.120 1.00 0.00 C ATOM 307 C GLN A 21 15.902 -7.274 0.743 1.00 0.00 C ATOM 308 O GLN A 21 16.168 -7.315 1.942 1.00 0.00 O ATOM 309 CB GLN A 21 15.834 -9.440 -0.505 1.00 0.00 C ATOM 310 CG GLN A 21 15.063 -10.676 -0.934 1.00 0.00 C ATOM 311 CD GLN A 21 14.199 -11.273 0.150 1.00 0.00 C ATOM 312 OE1 GLN A 21 14.666 -12.070 0.972 1.00 0.00 O ATOM 313 NE2 GLN A 21 12.926 -10.975 0.095 1.00 0.00 N ATOM 0 H GLN A 21 14.085 -8.141 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 21 14.418 -8.795 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.346 -9.030 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.604 -9.740 0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.433 -10.420 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.770 -11.431 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.587 -10.311 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.272 -11.407 0.748 1.00 0.00 H new ATOM 322 N PHE A 22 16.384 -6.314 -0.038 1.00 0.00 N ATOM 323 CA PHE A 22 17.165 -5.238 0.583 1.00 0.00 C ATOM 324 C PHE A 22 16.288 -4.347 1.476 1.00 0.00 C ATOM 325 O PHE A 22 16.727 -3.855 2.505 1.00 0.00 O ATOM 326 CB PHE A 22 18.129 -4.460 -0.350 1.00 0.00 C ATOM 327 CG PHE A 22 17.535 -3.628 -1.446 1.00 0.00 C ATOM 328 CD1 PHE A 22 17.001 -2.377 -1.176 1.00 0.00 C ATOM 329 CD2 PHE A 22 17.567 -4.069 -2.751 1.00 0.00 C ATOM 330 CE1 PHE A 22 16.505 -1.591 -2.189 1.00 0.00 C ATOM 331 CE2 PHE A 22 17.066 -3.288 -3.767 1.00 0.00 C ATOM 332 CZ PHE A 22 16.537 -2.048 -3.488 1.00 0.00 C ATOM 0 H PHE A 22 16.261 -6.251 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 22 17.873 -5.750 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.739 -3.805 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.804 -5.183 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 22 16.974 -2.016 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 22 17.989 -5.037 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.092 -0.618 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 22 17.088 -3.648 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 22 16.148 -1.434 -4.287 1.00 0.00 H new ATOM 342 N LEU A 23 15.039 -4.177 1.063 1.00 0.00 N ATOM 343 CA LEU A 23 14.030 -3.443 1.782 1.00 0.00 C ATOM 344 C LEU A 23 13.815 -4.079 3.174 1.00 0.00 C ATOM 345 O LEU A 23 13.830 -3.374 4.183 1.00 0.00 O ATOM 346 CB LEU A 23 12.755 -3.512 0.907 1.00 0.00 C ATOM 347 CG LEU A 23 11.584 -2.591 1.208 1.00 0.00 C ATOM 348 CD1 LEU A 23 10.968 -2.858 2.546 1.00 0.00 C ATOM 349 CD2 LEU A 23 11.957 -1.126 1.019 1.00 0.00 C ATOM 0 H LEU A 23 14.697 -4.565 0.184 1.00 0.00 H new ATOM 0 HA LEU A 23 14.312 -2.405 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.057 -3.328 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.384 -4.536 0.952 1.00 0.00 H new ATOM 0 HG LEU A 23 10.810 -2.818 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.137 -2.171 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.602 -3.884 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.715 -2.713 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.094 -0.499 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.776 -0.870 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.268 -0.960 -0.012 1.00 0.00 H new ATOM 361 N LEU A 24 13.662 -5.399 3.236 1.00 0.00 N ATOM 362 CA LEU A 24 13.487 -6.056 4.527 1.00 0.00 C ATOM 363 C LEU A 24 14.766 -5.966 5.365 1.00 0.00 C ATOM 364 O LEU A 24 14.716 -5.863 6.585 1.00 0.00 O ATOM 365 CB LEU A 24 12.997 -7.502 4.376 1.00 0.00 C ATOM 366 CG LEU A 24 13.872 -8.473 3.602 1.00 0.00 C ATOM 367 CD1 LEU A 24 14.935 -9.135 4.454 1.00 0.00 C ATOM 368 CD2 LEU A 24 13.026 -9.472 2.930 1.00 0.00 C ATOM 0 H LEU A 24 13.655 -6.022 2.428 1.00 0.00 H new ATOM 0 HA LEU A 24 12.704 -5.522 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.848 -7.910 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.020 -7.475 3.894 1.00 0.00 H new ATOM 0 HG LEU A 24 14.417 -7.895 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.523 -9.815 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.588 -8.373 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.459 -9.694 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.655 -10.168 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.448 -10.020 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.347 -8.969 2.242 1.00 0.00 H new ATOM 380 N TYR A 25 15.914 -5.996 4.683 1.00 0.00 N ATOM 381 CA TYR A 25 17.209 -5.859 5.336 1.00 0.00 C ATOM 382 C TYR A 25 17.351 -4.480 5.959 1.00 0.00 C ATOM 383 O TYR A 25 17.912 -4.322 7.050 1.00 0.00 O ATOM 384 CB TYR A 25 18.370 -6.121 4.352 1.00 0.00 C ATOM 385 CG TYR A 25 19.719 -5.693 4.898 1.00 0.00 C ATOM 386 CD1 TYR A 25 20.338 -6.402 5.915 1.00 0.00 C ATOM 387 CD2 TYR A 25 20.342 -4.541 4.428 1.00 0.00 C ATOM 388 CE1 TYR A 25 21.539 -5.983 6.446 1.00 0.00 C ATOM 389 CE2 TYR A 25 21.535 -4.111 4.961 1.00 0.00 C ATOM 390 CZ TYR A 25 22.130 -4.836 5.966 1.00 0.00 C ATOM 391 OH TYR A 25 23.311 -4.397 6.506 1.00 0.00 O ATOM 0 H TYR A 25 15.968 -6.115 3.671 1.00 0.00 H new ATOM 0 HA TYR A 25 17.260 -6.610 6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.402 -7.184 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.176 -5.589 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.872 -7.298 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.881 -3.975 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 25 22.013 -6.551 7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 25 22.001 -3.209 4.592 1.00 0.00 H new ATOM 0 HH TYR A 25 23.592 -3.575 6.053 1.00 0.00 H new ATOM 401 N LEU A 26 16.859 -3.490 5.271 1.00 0.00 N ATOM 402 CA LEU A 26 16.922 -2.151 5.758 1.00 0.00 C ATOM 403 C LEU A 26 15.978 -2.031 6.957 1.00 0.00 C ATOM 404 O LEU A 26 16.239 -1.297 7.866 1.00 0.00 O ATOM 405 CB LEU A 26 16.623 -1.133 4.635 1.00 0.00 C ATOM 406 CG LEU A 26 17.285 0.270 4.742 1.00 0.00 C ATOM 407 CD1 LEU A 26 16.899 1.024 5.998 1.00 0.00 C ATOM 408 CD2 LEU A 26 18.796 0.161 4.619 1.00 0.00 C ATOM 0 H LEU A 26 16.406 -3.592 4.363 1.00 0.00 H new ATOM 0 HA LEU A 26 17.931 -1.913 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.929 -1.578 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.543 -0.993 4.587 1.00 0.00 H new ATOM 0 HG LEU A 26 16.900 0.855 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.396 1.994 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.819 1.170 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.203 0.451 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.240 1.154 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.181 -0.472 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.052 -0.277 3.654 1.00 0.00 H new ATOM 420 N ASP A 27 14.885 -2.764 6.937 1.00 0.00 N ATOM 421 CA ASP A 27 13.984 -2.830 8.099 1.00 0.00 C ATOM 422 C ASP A 27 14.689 -3.509 9.289 1.00 0.00 C ATOM 423 O ASP A 27 14.580 -3.067 10.441 1.00 0.00 O ATOM 424 CB ASP A 27 12.703 -3.577 7.740 1.00 0.00 C ATOM 425 CG ASP A 27 11.840 -3.861 8.943 1.00 0.00 C ATOM 426 OD1 ASP A 27 11.386 -2.919 9.617 1.00 0.00 O ATOM 427 OD2 ASP A 27 11.613 -5.044 9.240 1.00 0.00 O ATOM 0 H ASP A 27 14.588 -3.325 6.139 1.00 0.00 H new ATOM 0 HA ASP A 27 13.720 -1.813 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.134 -2.989 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.960 -4.517 7.252 1.00 0.00 H new ATOM 432 N GLU A 28 15.433 -4.566 8.975 1.00 0.00 N ATOM 433 CA GLU A 28 16.245 -5.334 9.935 1.00 0.00 C ATOM 434 C GLU A 28 17.301 -4.432 10.600 1.00 0.00 C ATOM 435 O GLU A 28 17.469 -4.439 11.822 1.00 0.00 O ATOM 436 CB GLU A 28 16.927 -6.481 9.147 1.00 0.00 C ATOM 437 CG GLU A 28 18.063 -7.228 9.843 1.00 0.00 C ATOM 438 CD GLU A 28 17.644 -8.020 11.057 1.00 0.00 C ATOM 439 OE1 GLU A 28 17.068 -9.115 10.900 1.00 0.00 O ATOM 440 OE2 GLU A 28 17.900 -7.574 12.196 1.00 0.00 O ATOM 0 H GLU A 28 15.494 -4.927 8.023 1.00 0.00 H new ATOM 0 HA GLU A 28 15.617 -5.735 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.161 -7.208 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.315 -6.067 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 28 18.527 -7.905 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 28 18.825 -6.508 10.141 1.00 0.00 H new ATOM 447 N SER A 29 17.951 -3.624 9.803 1.00 0.00 N ATOM 448 CA SER A 29 18.967 -2.729 10.298 1.00 0.00 C ATOM 449 C SER A 29 18.331 -1.475 10.889 1.00 0.00 C ATOM 450 O SER A 29 18.781 -0.952 11.904 1.00 0.00 O ATOM 451 CB SER A 29 19.948 -2.405 9.169 1.00 0.00 C ATOM 452 OG SER A 29 19.246 -2.078 7.975 1.00 0.00 O ATOM 0 H SER A 29 17.793 -3.567 8.797 1.00 0.00 H new ATOM 0 HA SER A 29 19.525 -3.208 11.103 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.586 -1.571 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.601 -3.259 8.991 1.00 0.00 H new ATOM 0 HG SER A 29 18.894 -2.897 7.568 1.00 0.00 H new ATOM 458 N ASN A 30 17.262 -1.031 10.238 1.00 0.00 N ATOM 459 CA ASN A 30 16.462 0.140 10.603 1.00 0.00 C ATOM 460 C ASN A 30 17.354 1.378 10.535 1.00 0.00 C ATOM 461 O ASN A 30 17.224 2.325 11.295 1.00 0.00 O ATOM 462 CB ASN A 30 15.800 -0.073 11.982 1.00 0.00 C ATOM 463 CG ASN A 30 14.646 0.872 12.269 1.00 0.00 C ATOM 464 OD1 ASN A 30 13.519 0.601 11.870 1.00 0.00 O ATOM 465 ND2 ASN A 30 14.889 1.930 12.993 1.00 0.00 N ATOM 0 H ASN A 30 16.910 -1.497 9.402 1.00 0.00 H new ATOM 0 HA ASN A 30 15.641 0.289 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.439 -1.100 12.045 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.556 0.047 12.758 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.129 2.562 13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.839 2.125 13.308 1.00 0.00 H new ATOM 472 N ALA A 31 18.205 1.363 9.513 1.00 0.00 N ATOM 473 CA ALA A 31 19.225 2.383 9.247 1.00 0.00 C ATOM 474 C ALA A 31 18.673 3.799 9.098 1.00 0.00 C ATOM 475 O ALA A 31 19.384 4.776 9.289 1.00 0.00 O ATOM 476 CB ALA A 31 20.017 1.997 8.023 1.00 0.00 C ATOM 0 H ALA A 31 18.206 0.615 8.820 1.00 0.00 H new ATOM 0 HA ALA A 31 19.868 2.412 10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 31 20.775 2.755 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 31 20.501 1.035 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 19.348 1.921 7.166 1.00 0.00 H new ATOM 482 N LEU A 32 17.430 3.907 8.743 1.00 0.00 N ATOM 483 CA LEU A 32 16.806 5.202 8.550 1.00 0.00 C ATOM 484 C LEU A 32 16.260 5.748 9.860 1.00 0.00 C ATOM 485 O LEU A 32 15.890 6.916 9.942 1.00 0.00 O ATOM 486 CB LEU A 32 15.699 5.073 7.520 1.00 0.00 C ATOM 487 CG LEU A 32 16.163 4.695 6.117 1.00 0.00 C ATOM 488 CD1 LEU A 32 15.008 4.196 5.308 1.00 0.00 C ATOM 489 CD2 LEU A 32 16.799 5.887 5.421 1.00 0.00 C ATOM 0 H LEU A 32 16.813 3.112 8.577 1.00 0.00 H new ATOM 0 HA LEU A 32 17.556 5.907 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.988 4.323 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.162 6.020 7.466 1.00 0.00 H new ATOM 0 HG LEU A 32 16.908 3.904 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.352 3.929 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.578 3.318 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.251 4.977 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.123 5.595 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.071 6.695 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.660 6.227 5.996 1.00 0.00 H new ATOM 501 N GLY A 33 16.215 4.892 10.879 1.00 0.00 N ATOM 502 CA GLY A 33 15.692 5.268 12.182 1.00 0.00 C ATOM 503 C GLY A 33 14.188 5.435 12.173 1.00 0.00 C ATOM 504 O GLY A 33 13.605 5.939 13.129 1.00 0.00 O ATOM 0 H GLY A 33 16.538 3.926 10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.966 4.508 12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.157 6.201 12.502 1.00 0.00 H new ATOM 508 N LYS A 34 13.568 5.019 11.091 1.00 0.00 N ATOM 509 CA LYS A 34 12.148 5.165 10.886 1.00 0.00 C ATOM 510 C LYS A 34 11.602 3.916 10.222 1.00 0.00 C ATOM 511 O LYS A 34 12.319 3.256 9.452 1.00 0.00 O ATOM 512 CB LYS A 34 11.882 6.381 9.987 1.00 0.00 C ATOM 513 CG LYS A 34 12.286 7.715 10.602 1.00 0.00 C ATOM 514 CD LYS A 34 12.166 8.846 9.606 1.00 0.00 C ATOM 515 CE LYS A 34 12.402 10.209 10.247 1.00 0.00 C ATOM 516 NZ LYS A 34 13.717 10.323 10.924 1.00 0.00 N ATOM 0 H LYS A 34 14.048 4.561 10.316 1.00 0.00 H new ATOM 0 HA LYS A 34 11.656 5.310 11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.420 6.249 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.820 6.413 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.656 7.923 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.313 7.654 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.885 8.696 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.174 8.826 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.329 10.980 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.611 10.403 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.842 11.293 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.757 9.655 11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.476 10.101 10.248 1.00 0.00 H new ATOM 530 N LYS A 35 10.368 3.580 10.513 1.00 0.00 N ATOM 531 CA LYS A 35 9.719 2.468 9.865 1.00 0.00 C ATOM 532 C LYS A 35 9.099 2.908 8.576 1.00 0.00 C ATOM 533 O LYS A 35 8.022 3.504 8.540 1.00 0.00 O ATOM 534 CB LYS A 35 8.708 1.733 10.760 1.00 0.00 C ATOM 535 CG LYS A 35 9.327 0.930 11.899 1.00 0.00 C ATOM 536 CD LYS A 35 10.324 -0.098 11.373 1.00 0.00 C ATOM 537 CE LYS A 35 10.855 -0.994 12.479 1.00 0.00 C ATOM 538 NZ LYS A 35 11.945 -1.869 11.992 1.00 0.00 N ATOM 0 H LYS A 35 9.791 4.065 11.200 1.00 0.00 H new ATOM 0 HA LYS A 35 10.496 1.734 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.019 2.465 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.117 1.060 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.829 1.605 12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.541 0.424 12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.844 -0.710 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.156 0.417 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.220 -0.380 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.044 -1.606 12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.204 -2.548 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.625 -2.385 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.774 -1.289 11.749 1.00 0.00 H new ATOM 552 N PHE A 36 9.835 2.664 7.540 1.00 0.00 N ATOM 553 CA PHE A 36 9.449 2.968 6.194 1.00 0.00 C ATOM 554 C PHE A 36 8.438 1.955 5.689 1.00 0.00 C ATOM 555 O PHE A 36 7.385 2.318 5.199 1.00 0.00 O ATOM 556 CB PHE A 36 10.711 3.040 5.278 1.00 0.00 C ATOM 557 CG PHE A 36 11.660 1.850 5.383 1.00 0.00 C ATOM 558 CD1 PHE A 36 12.478 1.712 6.493 1.00 0.00 C ATOM 559 CD2 PHE A 36 11.728 0.866 4.388 1.00 0.00 C ATOM 560 CE1 PHE A 36 13.317 0.647 6.620 1.00 0.00 C ATOM 561 CE2 PHE A 36 12.581 -0.193 4.527 1.00 0.00 C ATOM 562 CZ PHE A 36 13.366 -0.301 5.639 1.00 0.00 C ATOM 0 H PHE A 36 10.756 2.231 7.607 1.00 0.00 H new ATOM 0 HA PHE A 36 8.966 3.945 6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.384 3.133 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.264 3.948 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.450 2.461 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.105 0.944 3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.943 0.553 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.634 -0.946 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.032 -1.145 5.743 1.00 0.00 H new ATOM 572 N ILE A 37 8.738 0.695 5.871 1.00 0.00 N ATOM 573 CA ILE A 37 7.892 -0.359 5.392 1.00 0.00 C ATOM 574 C ILE A 37 6.847 -0.711 6.446 1.00 0.00 C ATOM 575 O ILE A 37 7.172 -1.128 7.566 1.00 0.00 O ATOM 576 CB ILE A 37 8.758 -1.597 4.869 1.00 0.00 C ATOM 577 CG1 ILE A 37 7.966 -2.784 4.284 1.00 0.00 C ATOM 578 CG2 ILE A 37 9.754 -2.115 5.871 1.00 0.00 C ATOM 579 CD1 ILE A 37 7.248 -3.655 5.301 1.00 0.00 C ATOM 0 H ILE A 37 9.576 0.374 6.356 1.00 0.00 H new ATOM 0 HA ILE A 37 7.333 -0.021 4.519 1.00 0.00 H new ATOM 0 HB ILE A 37 9.291 -1.137 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.230 -2.396 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.652 -3.411 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.301 -2.954 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.454 -1.321 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.230 -2.446 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.723 -4.459 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.975 -4.081 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.531 -3.050 5.856 1.00 0.00 H new ATOM 591 N ILE A 38 5.595 -0.474 6.103 1.00 0.00 N ATOM 592 CA ILE A 38 4.499 -0.783 6.994 1.00 0.00 C ATOM 593 C ILE A 38 4.131 -2.242 6.856 1.00 0.00 C ATOM 594 O ILE A 38 4.177 -2.998 7.826 1.00 0.00 O ATOM 595 CB ILE A 38 3.232 0.107 6.737 1.00 0.00 C ATOM 596 CG1 ILE A 38 3.427 1.569 7.216 1.00 0.00 C ATOM 597 CG2 ILE A 38 1.969 -0.509 7.345 1.00 0.00 C ATOM 598 CD1 ILE A 38 4.346 2.419 6.360 1.00 0.00 C ATOM 0 H ILE A 38 5.314 -0.067 5.211 1.00 0.00 H new ATOM 0 HA ILE A 38 4.839 -0.568 8.007 1.00 0.00 H new ATOM 0 HB ILE A 38 3.098 0.140 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.451 2.052 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.820 1.551 8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.115 0.139 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.793 -1.489 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.098 -0.615 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.413 3.422 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.339 1.969 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.948 2.478 5.347 1.00 0.00 H new ATOM 610 N GLN A 39 3.844 -2.666 5.651 1.00 0.00 N ATOM 611 CA GLN A 39 3.536 -4.040 5.442 1.00 0.00 C ATOM 612 C GLN A 39 4.049 -4.496 4.109 1.00 0.00 C ATOM 613 O GLN A 39 4.207 -3.680 3.181 1.00 0.00 O ATOM 614 CB GLN A 39 2.034 -4.389 5.576 1.00 0.00 C ATOM 615 CG GLN A 39 1.135 -3.793 4.494 1.00 0.00 C ATOM 616 CD GLN A 39 -0.181 -4.565 4.295 1.00 0.00 C ATOM 617 OE1 GLN A 39 -1.191 -4.001 3.915 1.00 0.00 O ATOM 618 NE2 GLN A 39 -0.169 -5.866 4.514 1.00 0.00 N ATOM 0 H GLN A 39 3.820 -2.081 4.816 1.00 0.00 H new ATOM 0 HA GLN A 39 4.041 -4.574 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.925 -5.473 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.682 -4.047 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.905 -2.759 4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.681 -3.772 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.686 -6.322 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.015 -6.416 4.365 1.00 0.00 H new ATOM 627 N ASP A 40 4.343 -5.763 4.022 1.00 0.00 N ATOM 628 CA ASP A 40 4.727 -6.360 2.779 1.00 0.00 C ATOM 629 C ASP A 40 3.466 -6.903 2.153 1.00 0.00 C ATOM 630 O ASP A 40 2.850 -7.849 2.674 1.00 0.00 O ATOM 631 CB ASP A 40 5.736 -7.513 2.951 1.00 0.00 C ATOM 632 CG ASP A 40 7.052 -7.103 3.574 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.832 -6.381 2.946 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.350 -7.547 4.707 1.00 0.00 O ATOM 0 H ASP A 40 4.322 -6.408 4.812 1.00 0.00 H new ATOM 0 HA ASP A 40 5.217 -5.607 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.282 -8.288 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.932 -7.957 1.975 1.00 0.00 H new ATOM 639 N ILE A 41 3.050 -6.305 1.090 1.00 0.00 N ATOM 640 CA ILE A 41 1.851 -6.701 0.424 1.00 0.00 C ATOM 641 C ILE A 41 2.081 -7.808 -0.609 1.00 0.00 C ATOM 642 O ILE A 41 2.428 -7.581 -1.753 1.00 0.00 O ATOM 643 CB ILE A 41 0.988 -5.540 -0.159 1.00 0.00 C ATOM 644 CG1 ILE A 41 1.803 -4.349 -0.657 1.00 0.00 C ATOM 645 CG2 ILE A 41 -0.034 -5.062 0.835 1.00 0.00 C ATOM 646 CD1 ILE A 41 2.170 -3.347 0.388 1.00 0.00 C ATOM 0 H ILE A 41 3.534 -5.521 0.653 1.00 0.00 H new ATOM 0 HA ILE A 41 1.246 -7.115 1.230 1.00 0.00 H new ATOM 0 HB ILE A 41 0.489 -5.973 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.718 -4.722 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.237 -3.843 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.618 -4.253 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.697 -5.886 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.471 -4.700 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.747 -2.542 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.264 -2.937 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.768 -3.830 1.161 1.00 0.00 H new ATOM 658 N ASP A 42 1.927 -8.974 -0.124 1.00 0.00 N ATOM 659 CA ASP A 42 2.016 -10.255 -0.838 1.00 0.00 C ATOM 660 C ASP A 42 3.337 -10.492 -1.501 1.00 0.00 C ATOM 661 O ASP A 42 3.515 -10.308 -2.711 1.00 0.00 O ATOM 662 CB ASP A 42 0.888 -10.513 -1.784 1.00 0.00 C ATOM 663 CG ASP A 42 0.781 -11.991 -2.147 1.00 0.00 C ATOM 664 OD1 ASP A 42 1.465 -12.459 -3.070 1.00 0.00 O ATOM 665 OD2 ASP A 42 0.007 -12.724 -1.478 1.00 0.00 O ATOM 0 H ASP A 42 1.716 -9.108 0.865 1.00 0.00 H new ATOM 0 HA ASP A 42 1.925 -10.989 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.047 -10.180 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.032 -9.925 -2.691 1.00 0.00 H new ATOM 670 N ASP A 43 4.262 -10.745 -0.646 1.00 0.00 N ATOM 671 CA ASP A 43 5.643 -11.198 -0.900 1.00 0.00 C ATOM 672 C ASP A 43 6.529 -10.167 -1.550 1.00 0.00 C ATOM 673 O ASP A 43 7.639 -9.902 -1.091 1.00 0.00 O ATOM 674 CB ASP A 43 5.682 -12.496 -1.728 1.00 0.00 C ATOM 675 CG ASP A 43 7.102 -12.894 -2.113 1.00 0.00 C ATOM 676 OD1 ASP A 43 7.768 -13.592 -1.331 1.00 0.00 O ATOM 677 OD2 ASP A 43 7.580 -12.479 -3.201 1.00 0.00 O ATOM 0 H ASP A 43 4.086 -10.640 0.353 1.00 0.00 H new ATOM 0 HA ASP A 43 6.046 -11.383 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.223 -13.303 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.086 -12.366 -2.631 1.00 0.00 H new ATOM 682 N THR A 44 6.031 -9.597 -2.567 1.00 0.00 N ATOM 683 CA THR A 44 6.812 -8.774 -3.451 1.00 0.00 C ATOM 684 C THR A 44 6.493 -7.289 -3.298 1.00 0.00 C ATOM 685 O THR A 44 7.351 -6.441 -3.547 1.00 0.00 O ATOM 686 CB THR A 44 6.557 -9.216 -4.913 1.00 0.00 C ATOM 687 OG1 THR A 44 6.552 -10.668 -4.978 1.00 0.00 O ATOM 688 CG2 THR A 44 7.649 -8.699 -5.847 1.00 0.00 C ATOM 0 H THR A 44 5.050 -9.677 -2.833 1.00 0.00 H new ATOM 0 HA THR A 44 7.862 -8.906 -3.188 1.00 0.00 H new ATOM 0 HB THR A 44 5.598 -8.805 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.110 -11.030 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.441 -9.026 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.671 -7.610 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.615 -9.092 -5.530 1.00 0.00 H new ATOM 696 N HIS A 45 5.292 -6.955 -2.840 1.00 0.00 N ATOM 697 CA HIS A 45 4.949 -5.555 -2.792 1.00 0.00 C ATOM 698 C HIS A 45 5.285 -4.981 -1.446 1.00 0.00 C ATOM 699 O HIS A 45 5.240 -5.679 -0.447 1.00 0.00 O ATOM 700 CB HIS A 45 3.494 -5.303 -3.160 1.00 0.00 C ATOM 701 CG HIS A 45 3.090 -5.681 -4.517 1.00 0.00 C ATOM 702 ND1 HIS A 45 2.802 -6.885 -5.054 1.00 0.00 N flip ATOM 703 CD2 HIS A 45 2.866 -4.765 -5.487 1.00 0.00 C flip ATOM 704 CE1 HIS A 45 2.411 -6.665 -6.337 1.00 0.00 C flip ATOM 705 NE2 HIS A 45 2.466 -5.375 -6.573 1.00 0.00 N flip ATOM 0 H HIS A 45 4.576 -7.604 -2.513 1.00 0.00 H new ATOM 0 HA HIS A 45 5.548 -5.043 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.864 -5.843 -2.453 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.286 -4.242 -3.025 1.00 0.00 H new ATOM 0 HD1 HIS A 45 2.866 -7.789 -4.586 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.997 -3.698 -5.381 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.107 -7.423 -7.043 1.00 0.00 H new ATOM 714 N VAL A 46 5.641 -3.738 -1.423 1.00 0.00 N ATOM 715 CA VAL A 46 6.035 -3.059 -0.206 1.00 0.00 C ATOM 716 C VAL A 46 5.266 -1.767 -0.040 1.00 0.00 C ATOM 717 O VAL A 46 4.972 -1.075 -1.028 1.00 0.00 O ATOM 718 CB VAL A 46 7.586 -2.817 -0.187 1.00 0.00 C ATOM 719 CG1 VAL A 46 7.989 -1.656 0.724 1.00 0.00 C ATOM 720 CG2 VAL A 46 8.275 -4.081 0.290 1.00 0.00 C ATOM 0 H VAL A 46 5.671 -3.147 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 46 5.790 -3.697 0.643 1.00 0.00 H new ATOM 0 HB VAL A 46 7.891 -2.559 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.072 -1.533 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.512 -0.739 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.671 -1.867 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.353 -3.923 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.929 -4.328 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.039 -4.902 -0.387 1.00 0.00 H new ATOM 730 N PHE A 47 4.866 -1.481 1.183 1.00 0.00 N ATOM 731 CA PHE A 47 4.212 -0.251 1.458 1.00 0.00 C ATOM 732 C PHE A 47 5.102 0.605 2.301 1.00 0.00 C ATOM 733 O PHE A 47 5.494 0.203 3.404 1.00 0.00 O ATOM 734 CB PHE A 47 2.887 -0.446 2.191 1.00 0.00 C ATOM 735 CG PHE A 47 2.075 0.790 2.153 1.00 0.00 C ATOM 736 CD1 PHE A 47 1.604 1.244 0.940 1.00 0.00 C ATOM 737 CD2 PHE A 47 1.841 1.542 3.286 1.00 0.00 C ATOM 738 CE1 PHE A 47 0.898 2.412 0.850 1.00 0.00 C ATOM 739 CE2 PHE A 47 1.150 2.720 3.194 1.00 0.00 C ATOM 740 CZ PHE A 47 0.675 3.151 1.978 1.00 0.00 C ATOM 0 H PHE A 47 4.989 -2.093 1.990 1.00 0.00 H new ATOM 0 HA PHE A 47 4.000 0.224 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.331 -1.265 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.078 -0.729 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.795 0.668 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.203 1.201 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.520 2.748 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.977 3.313 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.123 4.077 1.914 1.00 0.00 H new ATOM 750 N VAL A 48 5.406 1.756 1.807 1.00 0.00 N ATOM 751 CA VAL A 48 6.180 2.712 2.524 1.00 0.00 C ATOM 752 C VAL A 48 5.407 3.995 2.578 1.00 0.00 C ATOM 753 O VAL A 48 4.767 4.371 1.611 1.00 0.00 O ATOM 754 CB VAL A 48 7.613 2.916 1.920 1.00 0.00 C ATOM 755 CG1 VAL A 48 7.576 3.177 0.422 1.00 0.00 C ATOM 756 CG2 VAL A 48 8.358 4.042 2.633 1.00 0.00 C ATOM 0 H VAL A 48 5.119 2.065 0.878 1.00 0.00 H new ATOM 0 HA VAL A 48 6.353 2.339 3.534 1.00 0.00 H new ATOM 0 HB VAL A 48 8.152 1.982 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.592 3.312 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.114 2.329 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.995 4.078 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.348 4.160 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.800 4.972 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.458 3.799 3.691 1.00 0.00 H new ATOM 766 N ILE A 49 5.403 4.645 3.696 1.00 0.00 N ATOM 767 CA ILE A 49 4.662 5.864 3.781 1.00 0.00 C ATOM 768 C ILE A 49 5.381 6.951 2.998 1.00 0.00 C ATOM 769 O ILE A 49 6.615 7.070 3.047 1.00 0.00 O ATOM 770 CB ILE A 49 4.336 6.300 5.224 1.00 0.00 C ATOM 771 CG1 ILE A 49 3.334 7.476 5.220 1.00 0.00 C ATOM 772 CG2 ILE A 49 5.598 6.619 6.028 1.00 0.00 C ATOM 773 CD1 ILE A 49 2.983 8.006 6.596 1.00 0.00 C ATOM 0 H ILE A 49 5.892 4.363 4.546 1.00 0.00 H new ATOM 0 HA ILE A 49 3.687 5.683 3.329 1.00 0.00 H new ATOM 0 HB ILE A 49 3.861 5.459 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.750 8.290 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.418 7.155 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.320 6.921 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.232 5.734 6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.143 7.429 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.275 8.829 6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.534 7.209 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.887 8.361 7.090 1.00 0.00 H new ATOM 785 N ALA A 50 4.605 7.727 2.285 1.00 0.00 N ATOM 786 CA ALA A 50 5.103 8.713 1.350 1.00 0.00 C ATOM 787 C ALA A 50 6.016 9.742 1.990 1.00 0.00 C ATOM 788 O ALA A 50 6.934 10.256 1.359 1.00 0.00 O ATOM 789 CB ALA A 50 3.954 9.389 0.657 1.00 0.00 C ATOM 0 H ALA A 50 3.587 7.693 2.337 1.00 0.00 H new ATOM 0 HA ALA A 50 5.712 8.177 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.337 10.130 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.367 8.646 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.323 9.882 1.396 1.00 0.00 H new ATOM 795 N GLU A 51 5.796 9.980 3.249 1.00 0.00 N ATOM 796 CA GLU A 51 6.527 10.971 4.011 1.00 0.00 C ATOM 797 C GLU A 51 8.019 10.629 4.121 1.00 0.00 C ATOM 798 O GLU A 51 8.846 11.505 4.372 1.00 0.00 O ATOM 799 CB GLU A 51 5.899 11.108 5.390 1.00 0.00 C ATOM 800 CG GLU A 51 4.402 11.387 5.338 1.00 0.00 C ATOM 801 CD GLU A 51 4.062 12.612 4.532 1.00 0.00 C ATOM 802 OE1 GLU A 51 4.190 13.740 5.054 1.00 0.00 O ATOM 803 OE2 GLU A 51 3.638 12.472 3.374 1.00 0.00 O ATOM 0 H GLU A 51 5.090 9.485 3.794 1.00 0.00 H new ATOM 0 HA GLU A 51 6.463 11.923 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.073 10.192 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.395 11.915 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.891 10.524 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.025 11.510 6.353 1.00 0.00 H new ATOM 810 N LEU A 52 8.358 9.364 3.918 1.00 0.00 N ATOM 811 CA LEU A 52 9.742 8.916 4.026 1.00 0.00 C ATOM 812 C LEU A 52 10.234 8.409 2.693 1.00 0.00 C ATOM 813 O LEU A 52 11.308 7.836 2.590 1.00 0.00 O ATOM 814 CB LEU A 52 9.825 7.772 5.020 1.00 0.00 C ATOM 815 CG LEU A 52 9.166 8.028 6.351 1.00 0.00 C ATOM 816 CD1 LEU A 52 9.253 6.799 7.234 1.00 0.00 C ATOM 817 CD2 LEU A 52 9.766 9.242 7.037 1.00 0.00 C ATOM 0 H LEU A 52 7.694 8.628 3.677 1.00 0.00 H new ATOM 0 HA LEU A 52 10.353 9.758 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.370 6.889 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.875 7.537 5.192 1.00 0.00 H new ATOM 0 HG LEU A 52 8.112 8.242 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.772 7.003 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.750 5.964 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.300 6.545 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.270 9.401 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.831 9.077 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.629 10.121 6.407 1.00 0.00 H new ATOM 829 N VAL A 53 9.467 8.606 1.668 1.00 0.00 N ATOM 830 CA VAL A 53 9.824 8.022 0.408 1.00 0.00 C ATOM 831 C VAL A 53 11.056 8.663 -0.238 1.00 0.00 C ATOM 832 O VAL A 53 11.780 7.993 -0.951 1.00 0.00 O ATOM 833 CB VAL A 53 8.647 7.834 -0.567 1.00 0.00 C ATOM 834 CG1 VAL A 53 8.271 9.127 -1.249 1.00 0.00 C ATOM 835 CG2 VAL A 53 8.918 6.725 -1.576 1.00 0.00 C ATOM 0 H VAL A 53 8.607 9.154 1.673 1.00 0.00 H new ATOM 0 HA VAL A 53 10.126 7.006 0.662 1.00 0.00 H new ATOM 0 HB VAL A 53 7.789 7.523 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.437 8.951 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.979 9.862 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.125 9.503 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.063 6.625 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.807 6.971 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.078 5.785 -1.049 1.00 0.00 H new ATOM 845 N ASN A 54 11.294 9.943 0.010 1.00 0.00 N ATOM 846 CA ASN A 54 12.489 10.595 -0.539 1.00 0.00 C ATOM 847 C ASN A 54 13.763 9.952 -0.010 1.00 0.00 C ATOM 848 O ASN A 54 14.710 9.739 -0.769 1.00 0.00 O ATOM 849 CB ASN A 54 12.515 12.124 -0.336 1.00 0.00 C ATOM 850 CG ASN A 54 11.651 12.883 -1.331 1.00 0.00 C ATOM 851 OD1 ASN A 54 12.116 13.251 -2.409 1.00 0.00 O ATOM 852 ND2 ASN A 54 10.415 13.145 -0.988 1.00 0.00 N ATOM 0 H ASN A 54 10.694 10.545 0.574 1.00 0.00 H new ATOM 0 HA ASN A 54 12.439 10.438 -1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.178 12.354 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.543 12.476 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.810 13.667 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.057 12.827 -0.087 1.00 0.00 H new ATOM 859 N VAL A 55 13.766 9.560 1.272 1.00 0.00 N ATOM 860 CA VAL A 55 14.940 8.891 1.831 1.00 0.00 C ATOM 861 C VAL A 55 15.081 7.514 1.219 1.00 0.00 C ATOM 862 O VAL A 55 16.182 7.003 0.991 1.00 0.00 O ATOM 863 CB VAL A 55 15.006 8.840 3.395 1.00 0.00 C ATOM 864 CG1 VAL A 55 14.942 10.220 3.984 1.00 0.00 C ATOM 865 CG2 VAL A 55 13.937 7.969 4.020 1.00 0.00 C ATOM 0 H VAL A 55 12.991 9.691 1.922 1.00 0.00 H new ATOM 0 HA VAL A 55 15.794 9.511 1.560 1.00 0.00 H new ATOM 0 HB VAL A 55 15.967 8.383 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.990 10.154 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.782 10.811 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 14.008 10.698 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.045 7.982 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.953 8.350 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.043 6.947 3.657 1.00 0.00 H new ATOM 875 N LEU A 56 13.954 6.936 0.944 1.00 0.00 N ATOM 876 CA LEU A 56 13.867 5.667 0.279 1.00 0.00 C ATOM 877 C LEU A 56 14.371 5.729 -1.133 1.00 0.00 C ATOM 878 O LEU A 56 14.980 4.800 -1.587 1.00 0.00 O ATOM 879 CB LEU A 56 12.458 5.107 0.331 1.00 0.00 C ATOM 880 CG LEU A 56 12.144 4.213 1.517 1.00 0.00 C ATOM 881 CD1 LEU A 56 12.920 2.943 1.383 1.00 0.00 C ATOM 882 CD2 LEU A 56 12.502 4.879 2.826 1.00 0.00 C ATOM 0 H LEU A 56 13.047 7.339 1.179 1.00 0.00 H new ATOM 0 HA LEU A 56 14.520 4.985 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.756 5.941 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.278 4.542 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 56 11.072 4.013 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.702 2.292 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.638 2.440 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.986 3.168 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.263 4.209 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.568 5.106 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.933 5.803 2.932 1.00 0.00 H new ATOM 894 N GLN A 57 14.132 6.831 -1.824 1.00 0.00 N ATOM 895 CA GLN A 57 14.625 6.986 -3.196 1.00 0.00 C ATOM 896 C GLN A 57 16.096 6.978 -3.187 1.00 0.00 C ATOM 897 O GLN A 57 16.744 6.413 -4.073 1.00 0.00 O ATOM 898 CB GLN A 57 14.109 8.269 -3.855 1.00 0.00 C ATOM 899 CG GLN A 57 12.607 8.338 -3.896 1.00 0.00 C ATOM 900 CD GLN A 57 11.992 7.127 -4.553 1.00 0.00 C ATOM 901 OE1 GLN A 57 11.924 6.068 -3.808 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 11.711 7.115 -5.746 1.00 0.00 N flip ATOM 0 H GLN A 57 13.605 7.629 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 57 14.249 6.150 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.493 9.132 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.499 8.333 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.223 8.431 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.302 9.235 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.779 7.972 -6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.409 6.248 -6.190 1.00 0.00 H new ATOM 1237 N VAL B 5 6.571 -4.155 -12.086 1.00 0.00 N ATOM 1238 CA VAL B 5 7.223 -3.199 -11.189 1.00 0.00 C ATOM 1239 C VAL B 5 6.704 -1.779 -11.392 1.00 0.00 C ATOM 1240 O VAL B 5 6.939 -1.143 -12.426 1.00 0.00 O ATOM 1241 CB VAL B 5 8.772 -3.236 -11.291 1.00 0.00 C ATOM 1242 CG1 VAL B 5 9.381 -2.201 -10.363 1.00 0.00 C ATOM 1243 CG2 VAL B 5 9.288 -4.616 -10.924 1.00 0.00 C ATOM 0 HA VAL B 5 6.959 -3.515 -10.180 1.00 0.00 H new ATOM 0 HB VAL B 5 9.059 -3.009 -12.318 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.468 -2.236 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL B 5 9.028 -1.209 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.085 -2.415 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL B 5 10.375 -4.630 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL B 5 8.992 -4.855 -9.903 1.00 0.00 H new ATOM 0 HG23 VAL B 5 8.868 -5.355 -11.606 1.00 0.00 H new ATOM 1253 N ASN B 6 5.967 -1.310 -10.420 1.00 0.00 N ATOM 1254 CA ASN B 6 5.378 0.025 -10.481 1.00 0.00 C ATOM 1255 C ASN B 6 5.240 0.588 -9.104 1.00 0.00 C ATOM 1256 O ASN B 6 4.879 -0.127 -8.169 1.00 0.00 O ATOM 1257 CB ASN B 6 4.019 0.124 -11.252 1.00 0.00 C ATOM 1258 CG ASN B 6 2.801 -0.483 -10.563 1.00 0.00 C ATOM 1259 OD1 ASN B 6 2.942 -1.628 -9.989 1.00 0.00 O flip ATOM 1260 ND2 ASN B 6 1.695 0.059 -10.662 1.00 0.00 N flip ATOM 0 H ASN B 6 5.753 -1.827 -9.567 1.00 0.00 H new ATOM 0 HA ASN B 6 6.076 0.619 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.812 1.177 -11.446 1.00 0.00 H new ATOM 0 HB3 ASN B 6 4.140 -0.361 -12.221 1.00 0.00 H new ATOM 0 HD21 ASN B 6 1.611 0.966 -11.121 1.00 0.00 H new ATOM 0 HD22 ASN B 6 0.866 -0.400 -10.285 1.00 0.00 H new ATOM 1267 N VAL B 7 5.612 1.797 -8.949 1.00 0.00 N ATOM 1268 CA VAL B 7 5.443 2.482 -7.701 1.00 0.00 C ATOM 1269 C VAL B 7 4.521 3.691 -7.896 1.00 0.00 C ATOM 1270 O VAL B 7 4.696 4.462 -8.845 1.00 0.00 O ATOM 1271 CB VAL B 7 6.818 2.865 -7.059 1.00 0.00 C ATOM 1272 CG1 VAL B 7 7.699 3.641 -8.032 1.00 0.00 C ATOM 1273 CG2 VAL B 7 6.642 3.659 -5.793 1.00 0.00 C ATOM 0 H VAL B 7 6.048 2.357 -9.682 1.00 0.00 H new ATOM 0 HA VAL B 7 4.965 1.809 -6.989 1.00 0.00 H new ATOM 0 HB VAL B 7 7.314 1.926 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL B 7 8.644 3.888 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL B 7 7.891 3.031 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL B 7 7.192 4.559 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL B 7 7.620 3.905 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL B 7 6.099 4.578 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL B 7 6.079 3.070 -5.069 1.00 0.00 H new ATOM 1283 N LEU B 8 3.538 3.832 -7.054 1.00 0.00 N ATOM 1284 CA LEU B 8 2.598 4.928 -7.164 1.00 0.00 C ATOM 1285 C LEU B 8 2.085 5.294 -5.781 1.00 0.00 C ATOM 1286 O LEU B 8 2.342 4.567 -4.815 1.00 0.00 O ATOM 1287 CB LEU B 8 1.435 4.591 -8.116 1.00 0.00 C ATOM 1288 CG LEU B 8 0.408 3.557 -7.655 1.00 0.00 C ATOM 1289 CD1 LEU B 8 -0.704 3.488 -8.664 1.00 0.00 C ATOM 1290 CD2 LEU B 8 1.000 2.164 -7.486 1.00 0.00 C ATOM 0 H LEU B 8 3.360 3.199 -6.274 1.00 0.00 H new ATOM 0 HA LEU B 8 3.116 5.786 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU B 8 0.902 5.517 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU B 8 1.863 4.241 -9.055 1.00 0.00 H new ATOM 0 HG LEU B 8 0.045 3.879 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -1.441 2.752 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -1.179 4.465 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.299 3.196 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.222 1.475 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.407 1.824 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU B 8 1.795 2.195 -6.741 1.00 0.00 H new ATOM 1302 N LYS B 9 1.384 6.402 -5.666 1.00 0.00 N ATOM 1303 CA LYS B 9 0.956 6.855 -4.362 1.00 0.00 C ATOM 1304 C LYS B 9 -0.558 6.945 -4.213 1.00 0.00 C ATOM 1305 O LYS B 9 -1.279 7.158 -5.191 1.00 0.00 O ATOM 1306 CB LYS B 9 1.704 8.138 -3.964 1.00 0.00 C ATOM 1307 CG LYS B 9 1.441 9.393 -4.824 1.00 0.00 C ATOM 1308 CD LYS B 9 0.161 10.136 -4.431 1.00 0.00 C ATOM 1309 CE LYS B 9 0.285 10.810 -3.060 1.00 0.00 C ATOM 1310 NZ LYS B 9 1.318 11.878 -3.050 1.00 0.00 N ATOM 0 H LYS B 9 1.103 6.996 -6.446 1.00 0.00 H new ATOM 0 HA LYS B 9 1.235 6.087 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS B 9 1.447 8.374 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS B 9 2.773 7.929 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS B 9 2.289 10.071 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS B 9 1.376 9.100 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.067 10.889 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.674 9.436 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.678 11.236 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.534 10.060 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.208 12.459 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.264 11.446 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.206 12.477 -3.892 1.00 0.00 H new ATOM 1324 N GLY B 10 -1.023 6.779 -2.989 1.00 0.00 N ATOM 1325 CA GLY B 10 -2.430 6.808 -2.703 1.00 0.00 C ATOM 1326 C GLY B 10 -2.754 6.002 -1.458 1.00 0.00 C ATOM 1327 O GLY B 10 -1.985 6.017 -0.486 1.00 0.00 O ATOM 0 H GLY B 10 -0.432 6.621 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -2.755 7.839 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -2.985 6.409 -3.552 1.00 0.00 H new ATOM 1331 N VAL B 11 -3.846 5.275 -1.504 1.00 0.00 N ATOM 1332 CA VAL B 11 -4.334 4.489 -0.390 1.00 0.00 C ATOM 1333 C VAL B 11 -4.254 3.004 -0.716 1.00 0.00 C ATOM 1334 O VAL B 11 -4.704 2.553 -1.779 1.00 0.00 O ATOM 1335 CB VAL B 11 -5.810 4.857 -0.034 1.00 0.00 C ATOM 1336 CG1 VAL B 11 -6.331 4.004 1.119 1.00 0.00 C ATOM 1337 CG2 VAL B 11 -5.916 6.315 0.337 1.00 0.00 C ATOM 0 H VAL B 11 -4.434 5.211 -2.335 1.00 0.00 H new ATOM 0 HA VAL B 11 -3.702 4.713 0.470 1.00 0.00 H new ATOM 0 HB VAL B 11 -6.418 4.661 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -7.360 4.284 1.343 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -6.294 2.951 0.838 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -5.711 4.166 2.001 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -6.951 6.554 0.582 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -5.283 6.518 1.201 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -5.591 6.929 -0.503 1.00 0.00 H new ATOM 1347 N LEU B 12 -3.689 2.280 0.192 1.00 0.00 N ATOM 1348 CA LEU B 12 -3.539 0.854 0.113 1.00 0.00 C ATOM 1349 C LEU B 12 -4.655 0.213 0.876 1.00 0.00 C ATOM 1350 O LEU B 12 -4.992 0.680 1.953 1.00 0.00 O ATOM 1351 CB LEU B 12 -2.214 0.443 0.762 1.00 0.00 C ATOM 1352 CG LEU B 12 -2.056 -1.050 1.067 1.00 0.00 C ATOM 1353 CD1 LEU B 12 -2.020 -1.868 -0.197 1.00 0.00 C ATOM 1354 CD2 LEU B 12 -0.833 -1.295 1.911 1.00 0.00 C ATOM 0 H LEU B 12 -3.301 2.677 1.048 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.555 0.541 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.399 0.749 0.105 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.099 0.999 1.693 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.929 -1.370 1.636 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.907 -2.922 0.055 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.948 -1.724 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.178 -1.550 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.740 -2.362 2.116 1.00 0.00 H new ATOM 0 HD22 LEU B 12 0.052 -0.949 1.378 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.925 -0.752 2.851 1.00 0.00 H new ATOM 1366 N ILE B 13 -5.230 -0.834 0.334 1.00 0.00 N ATOM 1367 CA ILE B 13 -6.260 -1.531 1.027 1.00 0.00 C ATOM 1368 C ILE B 13 -6.150 -3.060 0.969 1.00 0.00 C ATOM 1369 O ILE B 13 -6.141 -3.679 -0.106 1.00 0.00 O ATOM 1370 CB ILE B 13 -7.702 -1.015 0.670 1.00 0.00 C ATOM 1371 CG1 ILE B 13 -8.796 -1.931 1.242 1.00 0.00 C ATOM 1372 CG2 ILE B 13 -7.882 -0.811 -0.821 1.00 0.00 C ATOM 1373 CD1 ILE B 13 -10.180 -1.343 1.169 1.00 0.00 C ATOM 0 H ILE B 13 -4.995 -1.213 -0.583 1.00 0.00 H new ATOM 0 HA ILE B 13 -6.090 -1.282 2.074 1.00 0.00 H new ATOM 0 HB ILE B 13 -7.809 -0.040 1.145 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -8.784 -2.877 0.701 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -8.561 -2.156 2.282 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -8.893 -0.454 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -7.161 -0.075 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -7.722 -1.756 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.897 -2.047 1.591 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.210 -0.412 1.734 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -10.436 -1.144 0.128 1.00 0.00 H new ATOM 1385 N GLU B 14 -5.942 -3.620 2.142 1.00 0.00 N ATOM 1386 CA GLU B 14 -6.111 -5.028 2.423 1.00 0.00 C ATOM 1387 C GLU B 14 -7.272 -5.052 3.379 1.00 0.00 C ATOM 1388 O GLU B 14 -7.262 -4.284 4.358 1.00 0.00 O ATOM 1389 CB GLU B 14 -4.882 -5.624 3.127 1.00 0.00 C ATOM 1390 CG GLU B 14 -5.110 -7.027 3.747 1.00 0.00 C ATOM 1391 CD GLU B 14 -5.572 -8.088 2.756 1.00 0.00 C ATOM 1392 OE1 GLU B 14 -6.733 -8.042 2.336 1.00 0.00 O ATOM 1393 OE2 GLU B 14 -4.749 -8.956 2.391 1.00 0.00 O ATOM 0 H GLU B 14 -5.639 -3.086 2.956 1.00 0.00 H new ATOM 0 HA GLU B 14 -6.258 -5.606 1.511 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -4.064 -5.687 2.410 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -4.564 -4.941 3.914 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -4.182 -7.361 4.211 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -5.851 -6.943 4.542 1.00 0.00 H new ATOM 1400 N CYS B 15 -8.210 -5.913 3.174 1.00 0.00 N ATOM 1401 CA CYS B 15 -9.430 -5.818 3.914 1.00 0.00 C ATOM 1402 C CYS B 15 -10.151 -7.128 3.943 1.00 0.00 C ATOM 1403 O CYS B 15 -10.356 -7.735 5.013 1.00 0.00 O ATOM 1404 CB CYS B 15 -10.319 -4.804 3.207 1.00 0.00 C ATOM 1405 SG CYS B 15 -11.847 -4.355 4.064 1.00 0.00 S ATOM 0 H CYS B 15 -8.161 -6.684 2.508 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.203 -5.524 4.939 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -9.739 -3.896 3.040 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -10.579 -5.201 2.226 1.00 0.00 H new ATOM 0 HG CYS B 15 -12.748 -4.011 3.193 1.00 0.00 H new ATOM 1411 N ASP B 16 -10.531 -7.554 2.767 1.00 0.00 N ATOM 1412 CA ASP B 16 -11.393 -8.671 2.581 1.00 0.00 C ATOM 1413 C ASP B 16 -11.469 -8.966 1.087 1.00 0.00 C ATOM 1414 O ASP B 16 -11.699 -8.050 0.286 1.00 0.00 O ATOM 1415 CB ASP B 16 -12.787 -8.322 3.123 1.00 0.00 C ATOM 1416 CG ASP B 16 -13.791 -9.395 2.890 1.00 0.00 C ATOM 1417 OD1 ASP B 16 -13.829 -10.372 3.661 1.00 0.00 O ATOM 1418 OD2 ASP B 16 -14.567 -9.267 1.958 1.00 0.00 O ATOM 0 H ASP B 16 -10.237 -7.116 1.894 1.00 0.00 H new ATOM 0 HA ASP B 16 -11.017 -9.546 3.111 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -12.715 -8.126 4.193 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -13.133 -7.401 2.653 1.00 0.00 H new ATOM 1423 N PRO B 17 -11.272 -10.219 0.678 1.00 0.00 N ATOM 1424 CA PRO B 17 -11.254 -10.608 -0.746 1.00 0.00 C ATOM 1425 C PRO B 17 -12.618 -10.437 -1.412 1.00 0.00 C ATOM 1426 O PRO B 17 -12.717 -10.105 -2.603 1.00 0.00 O ATOM 1427 CB PRO B 17 -10.855 -12.091 -0.687 1.00 0.00 C ATOM 1428 CG PRO B 17 -10.213 -12.225 0.646 1.00 0.00 C ATOM 1429 CD PRO B 17 -11.018 -11.378 1.541 1.00 0.00 C ATOM 0 HA PRO B 17 -10.579 -9.991 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO B 17 -11.723 -12.744 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO B 17 -10.168 -12.354 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO B 17 -10.210 -13.262 0.981 1.00 0.00 H new ATOM 0 HG3 PRO B 17 -9.174 -11.896 0.619 1.00 0.00 H new ATOM 0 HD2 PRO B 17 -11.940 -11.869 1.854 1.00 0.00 H new ATOM 0 HD3 PRO B 17 -10.478 -11.106 2.448 1.00 0.00 H new ATOM 1437 N ALA B 18 -13.659 -10.606 -0.635 1.00 0.00 N ATOM 1438 CA ALA B 18 -15.014 -10.482 -1.114 1.00 0.00 C ATOM 1439 C ALA B 18 -15.306 -9.027 -1.433 1.00 0.00 C ATOM 1440 O ALA B 18 -15.992 -8.706 -2.421 1.00 0.00 O ATOM 1441 CB ALA B 18 -15.947 -11.000 -0.073 1.00 0.00 C ATOM 0 H ALA B 18 -13.589 -10.836 0.356 1.00 0.00 H new ATOM 0 HA ALA B 18 -15.149 -11.065 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -16.974 -10.910 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -15.723 -12.048 0.127 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -15.827 -10.422 0.843 1.00 0.00 H new ATOM 1447 N MET B 19 -14.755 -8.149 -0.613 1.00 0.00 N ATOM 1448 CA MET B 19 -14.837 -6.725 -0.846 1.00 0.00 C ATOM 1449 C MET B 19 -14.166 -6.387 -2.153 1.00 0.00 C ATOM 1450 O MET B 19 -14.684 -5.604 -2.953 1.00 0.00 O ATOM 1451 CB MET B 19 -14.161 -5.931 0.272 1.00 0.00 C ATOM 1452 CG MET B 19 -14.119 -4.440 -0.018 1.00 0.00 C ATOM 1453 SD MET B 19 -13.356 -3.467 1.286 1.00 0.00 S ATOM 1454 CE MET B 19 -13.699 -1.813 0.689 1.00 0.00 C ATOM 0 H MET B 19 -14.241 -8.406 0.229 1.00 0.00 H new ATOM 0 HA MET B 19 -15.893 -6.455 -0.875 1.00 0.00 H new ATOM 0 HB2 MET B 19 -14.694 -6.101 1.208 1.00 0.00 H new ATOM 0 HB3 MET B 19 -13.145 -6.300 0.412 1.00 0.00 H new ATOM 0 HG2 MET B 19 -13.574 -4.276 -0.947 1.00 0.00 H new ATOM 0 HG3 MET B 19 -15.136 -4.082 -0.178 1.00 0.00 H new ATOM 0 HE1 MET B 19 -13.321 -1.082 1.404 1.00 0.00 H new ATOM 0 HE2 MET B 19 -13.210 -1.665 -0.274 1.00 0.00 H new ATOM 0 HE3 MET B 19 -14.775 -1.684 0.573 1.00 0.00 H new ATOM 1464 N LYS B 20 -13.030 -7.016 -2.385 1.00 0.00 N ATOM 1465 CA LYS B 20 -12.261 -6.798 -3.585 1.00 0.00 C ATOM 1466 C LYS B 20 -13.109 -7.201 -4.800 1.00 0.00 C ATOM 1467 O LYS B 20 -13.072 -6.542 -5.830 1.00 0.00 O ATOM 1468 CB LYS B 20 -10.934 -7.593 -3.508 1.00 0.00 C ATOM 1469 CG LYS B 20 -9.719 -6.953 -4.213 1.00 0.00 C ATOM 1470 CD LYS B 20 -9.376 -7.529 -5.604 1.00 0.00 C ATOM 1471 CE LYS B 20 -10.371 -7.218 -6.657 1.00 0.00 C ATOM 1472 NZ LYS B 20 -10.362 -5.794 -6.992 1.00 0.00 N ATOM 0 H LYS B 20 -12.618 -7.693 -1.743 1.00 0.00 H new ATOM 0 HA LYS B 20 -12.001 -5.745 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -10.683 -7.741 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.100 -8.581 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -9.904 -5.884 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -8.847 -7.064 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -8.405 -7.144 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -9.278 -8.611 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -10.155 -7.805 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.366 -7.508 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -11.283 -5.526 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -10.184 -5.236 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -9.612 -5.606 -7.688 1.00 0.00 H new ATOM 1486 N GLN B 21 -13.908 -8.238 -4.652 1.00 0.00 N ATOM 1487 CA GLN B 21 -14.782 -8.690 -5.731 1.00 0.00 C ATOM 1488 C GLN B 21 -15.828 -7.637 -6.110 1.00 0.00 C ATOM 1489 O GLN B 21 -16.050 -7.385 -7.297 1.00 0.00 O ATOM 1490 CB GLN B 21 -15.449 -10.013 -5.417 1.00 0.00 C ATOM 1491 CG GLN B 21 -14.486 -11.154 -5.162 1.00 0.00 C ATOM 1492 CD GLN B 21 -13.519 -11.420 -6.292 1.00 0.00 C ATOM 1493 OE1 GLN B 21 -13.817 -12.163 -7.216 1.00 0.00 O ATOM 1494 NE2 GLN B 21 -12.319 -10.912 -6.169 1.00 0.00 N ATOM 0 H GLN B 21 -13.975 -8.789 -3.796 1.00 0.00 H new ATOM 0 HA GLN B 21 -14.134 -8.842 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -16.084 -9.887 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -16.102 -10.283 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -13.918 -10.938 -4.257 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -15.059 -12.061 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -12.104 -10.295 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -11.599 -11.133 -6.857 1.00 0.00 H new ATOM 1503 N PHE B 22 -16.477 -7.016 -5.138 1.00 0.00 N ATOM 1504 CA PHE B 22 -17.403 -5.954 -5.507 1.00 0.00 C ATOM 1505 C PHE B 22 -16.639 -4.752 -6.049 1.00 0.00 C ATOM 1506 O PHE B 22 -17.071 -4.113 -6.938 1.00 0.00 O ATOM 1507 CB PHE B 22 -18.481 -5.578 -4.445 1.00 0.00 C ATOM 1508 CG PHE B 22 -18.052 -4.778 -3.243 1.00 0.00 C ATOM 1509 CD1 PHE B 22 -17.856 -3.404 -3.337 1.00 0.00 C ATOM 1510 CD2 PHE B 22 -17.902 -5.381 -2.018 1.00 0.00 C ATOM 1511 CE1 PHE B 22 -17.512 -2.660 -2.230 1.00 0.00 C ATOM 1512 CE2 PHE B 22 -17.553 -4.643 -0.910 1.00 0.00 C ATOM 1513 CZ PHE B 22 -17.359 -3.283 -1.015 1.00 0.00 C ATOM 0 H PHE B 22 -16.390 -7.212 -4.141 1.00 0.00 H new ATOM 0 HA PHE B 22 -18.018 -6.369 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE B 22 -19.267 -5.019 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE B 22 -18.930 -6.504 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE B 22 -17.975 -2.914 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE B 22 -18.060 -6.445 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE B 22 -17.363 -1.594 -2.317 1.00 0.00 H new ATOM 0 HE2 PHE B 22 -17.431 -5.132 0.045 1.00 0.00 H new ATOM 0 HZ PHE B 22 -17.087 -2.707 -0.143 1.00 0.00 H new ATOM 1523 N LEU B 23 -15.461 -4.512 -5.496 1.00 0.00 N ATOM 1524 CA LEU B 23 -14.568 -3.432 -5.866 1.00 0.00 C ATOM 1525 C LEU B 23 -14.153 -3.541 -7.335 1.00 0.00 C ATOM 1526 O LEU B 23 -14.107 -2.539 -8.038 1.00 0.00 O ATOM 1527 CB LEU B 23 -13.369 -3.553 -4.935 1.00 0.00 C ATOM 1528 CG LEU B 23 -12.476 -2.361 -4.720 1.00 0.00 C ATOM 1529 CD1 LEU B 23 -13.265 -1.209 -4.116 1.00 0.00 C ATOM 1530 CD2 LEU B 23 -11.374 -2.766 -3.780 1.00 0.00 C ATOM 0 H LEU B 23 -15.087 -5.091 -4.744 1.00 0.00 H new ATOM 0 HA LEU B 23 -15.049 -2.459 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -13.743 -3.862 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -12.746 -4.365 -5.309 1.00 0.00 H new ATOM 0 HG LEU B 23 -12.064 -2.031 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -12.605 -0.355 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -14.074 -0.929 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -13.682 -1.517 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -10.712 -1.917 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -11.805 -3.088 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -10.806 -3.587 -4.218 1.00 0.00 H new ATOM 1542 N LEU B 24 -13.886 -4.749 -7.806 1.00 0.00 N ATOM 1543 CA LEU B 24 -13.548 -4.936 -9.207 1.00 0.00 C ATOM 1544 C LEU B 24 -14.754 -4.637 -10.111 1.00 0.00 C ATOM 1545 O LEU B 24 -14.643 -3.905 -11.100 1.00 0.00 O ATOM 1546 CB LEU B 24 -12.922 -6.331 -9.472 1.00 0.00 C ATOM 1547 CG LEU B 24 -13.670 -7.574 -9.016 1.00 0.00 C ATOM 1548 CD1 LEU B 24 -14.671 -8.076 -10.014 1.00 0.00 C ATOM 1549 CD2 LEU B 24 -12.716 -8.649 -8.644 1.00 0.00 C ATOM 0 H LEU B 24 -13.896 -5.603 -7.248 1.00 0.00 H new ATOM 0 HA LEU B 24 -12.775 -4.212 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -12.760 -6.420 -10.546 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -11.940 -6.346 -8.999 1.00 0.00 H new ATOM 0 HG LEU B 24 -14.244 -7.277 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -15.165 -8.964 -9.619 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -15.415 -7.302 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -14.162 -8.327 -10.945 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -13.269 -9.531 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -12.100 -8.904 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -12.077 -8.303 -7.832 1.00 0.00 H new ATOM 1561 N TYR B 25 -15.916 -5.155 -9.705 1.00 0.00 N ATOM 1562 CA TYR B 25 -17.167 -4.999 -10.445 1.00 0.00 C ATOM 1563 C TYR B 25 -17.665 -3.560 -10.436 1.00 0.00 C ATOM 1564 O TYR B 25 -18.134 -3.041 -11.446 1.00 0.00 O ATOM 1565 CB TYR B 25 -18.240 -5.949 -9.870 1.00 0.00 C ATOM 1566 CG TYR B 25 -19.673 -5.595 -10.239 1.00 0.00 C ATOM 1567 CD1 TYR B 25 -20.155 -5.750 -11.532 1.00 0.00 C ATOM 1568 CD2 TYR B 25 -20.533 -5.081 -9.279 1.00 0.00 C ATOM 1569 CE1 TYR B 25 -21.456 -5.404 -11.849 1.00 0.00 C ATOM 1570 CE2 TYR B 25 -21.827 -4.734 -9.589 1.00 0.00 C ATOM 1571 CZ TYR B 25 -22.287 -4.898 -10.870 1.00 0.00 C ATOM 1572 OH TYR B 25 -23.589 -4.544 -11.180 1.00 0.00 O ATOM 0 H TYR B 25 -16.014 -5.698 -8.847 1.00 0.00 H new ATOM 0 HA TYR B 25 -16.972 -5.261 -11.485 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -18.031 -6.961 -10.215 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -18.152 -5.958 -8.784 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -19.506 -6.146 -12.299 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -20.179 -4.951 -8.267 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -21.820 -5.529 -12.858 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -22.478 -4.334 -8.826 1.00 0.00 H new ATOM 0 HH TYR B 25 -24.037 -4.207 -10.376 1.00 0.00 H new ATOM 1582 N LEU B 26 -17.559 -2.934 -9.317 1.00 0.00 N ATOM 1583 CA LEU B 26 -18.056 -1.607 -9.125 1.00 0.00 C ATOM 1584 C LEU B 26 -17.235 -0.643 -9.946 1.00 0.00 C ATOM 1585 O LEU B 26 -17.755 0.315 -10.471 1.00 0.00 O ATOM 1586 CB LEU B 26 -18.036 -1.254 -7.618 1.00 0.00 C ATOM 1587 CG LEU B 26 -18.945 -0.109 -7.130 1.00 0.00 C ATOM 1588 CD1 LEU B 26 -18.527 1.249 -7.659 1.00 0.00 C ATOM 1589 CD2 LEU B 26 -20.377 -0.412 -7.505 1.00 0.00 C ATOM 0 H LEU B 26 -17.116 -3.334 -8.490 1.00 0.00 H new ATOM 0 HA LEU B 26 -19.090 -1.537 -9.463 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -18.303 -2.152 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.010 -1.004 -7.347 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.847 -0.052 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -19.206 2.012 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -17.512 1.471 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -18.562 1.242 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -21.022 0.396 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -20.458 -0.505 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -20.686 -1.347 -7.037 1.00 0.00 H new ATOM 1601 N ASP B 27 -15.968 -0.926 -10.076 1.00 0.00 N ATOM 1602 CA ASP B 27 -15.094 -0.086 -10.867 1.00 0.00 C ATOM 1603 C ASP B 27 -15.417 -0.191 -12.348 1.00 0.00 C ATOM 1604 O ASP B 27 -15.438 0.812 -13.057 1.00 0.00 O ATOM 1605 CB ASP B 27 -13.637 -0.437 -10.617 1.00 0.00 C ATOM 1606 CG ASP B 27 -12.704 0.366 -11.481 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -12.446 1.556 -11.181 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -12.211 -0.167 -12.490 1.00 0.00 O ATOM 0 H ASP B 27 -15.512 -1.731 -9.646 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.261 0.946 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.398 -0.264 -9.568 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.483 -1.499 -10.808 1.00 0.00 H new ATOM 1613 N GLU B 28 -15.701 -1.398 -12.799 1.00 0.00 N ATOM 1614 CA GLU B 28 -15.977 -1.630 -14.204 1.00 0.00 C ATOM 1615 C GLU B 28 -17.376 -1.165 -14.621 1.00 0.00 C ATOM 1616 O GLU B 28 -17.568 -0.664 -15.729 1.00 0.00 O ATOM 1617 CB GLU B 28 -15.660 -3.085 -14.590 1.00 0.00 C ATOM 1618 CG GLU B 28 -16.394 -4.167 -13.805 1.00 0.00 C ATOM 1619 CD GLU B 28 -17.616 -4.715 -14.496 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -18.694 -4.117 -14.430 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -17.510 -5.791 -15.112 1.00 0.00 O ATOM 0 H GLU B 28 -15.747 -2.232 -12.214 1.00 0.00 H new ATOM 0 HA GLU B 28 -15.303 -1.001 -14.785 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -15.888 -3.216 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -14.588 -3.244 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -15.704 -4.988 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -16.690 -3.760 -12.838 1.00 0.00 H new ATOM 1628 N SER B 29 -18.334 -1.297 -13.736 1.00 0.00 N ATOM 1629 CA SER B 29 -19.668 -0.824 -14.016 1.00 0.00 C ATOM 1630 C SER B 29 -19.755 0.675 -13.705 1.00 0.00 C ATOM 1631 O SER B 29 -20.548 1.413 -14.300 1.00 0.00 O ATOM 1632 CB SER B 29 -20.695 -1.644 -13.230 1.00 0.00 C ATOM 1633 OG SER B 29 -20.383 -1.666 -11.835 1.00 0.00 O ATOM 0 H SER B 29 -18.216 -1.727 -12.818 1.00 0.00 H new ATOM 0 HA SER B 29 -19.897 -0.957 -15.073 1.00 0.00 H new ATOM 0 HB2 SER B 29 -21.689 -1.222 -13.376 1.00 0.00 H new ATOM 0 HB3 SER B 29 -20.722 -2.663 -13.615 1.00 0.00 H new ATOM 0 HG SER B 29 -19.783 -2.417 -11.646 1.00 0.00 H new ATOM 1639 N ASN B 30 -18.918 1.092 -12.774 1.00 0.00 N ATOM 1640 CA ASN B 30 -18.729 2.475 -12.356 1.00 0.00 C ATOM 1641 C ASN B 30 -20.008 3.128 -11.827 1.00 0.00 C ATOM 1642 O ASN B 30 -20.660 3.925 -12.506 1.00 0.00 O ATOM 1643 CB ASN B 30 -18.039 3.305 -13.452 1.00 0.00 C ATOM 1644 CG ASN B 30 -17.783 4.737 -13.056 1.00 0.00 C ATOM 1645 OD1 ASN B 30 -17.604 5.048 -11.881 1.00 0.00 O ATOM 1646 ND2 ASN B 30 -17.757 5.614 -14.030 1.00 0.00 N ATOM 0 H ASN B 30 -18.319 0.445 -12.261 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.053 2.453 -11.501 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -17.091 2.833 -13.710 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -18.657 3.290 -14.350 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -17.583 6.598 -13.826 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -17.911 5.312 -14.992 1.00 0.00 H new ATOM 1653 N ALA B 31 -20.412 2.705 -10.645 1.00 0.00 N ATOM 1654 CA ALA B 31 -21.582 3.279 -9.978 1.00 0.00 C ATOM 1655 C ALA B 31 -21.337 4.690 -9.499 1.00 0.00 C ATOM 1656 O ALA B 31 -22.228 5.513 -9.489 1.00 0.00 O ATOM 1657 CB ALA B 31 -22.023 2.423 -8.811 1.00 0.00 C ATOM 0 H ALA B 31 -19.950 1.963 -10.119 1.00 0.00 H new ATOM 0 HA ALA B 31 -22.374 3.307 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -22.894 2.876 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -22.282 1.426 -9.168 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -21.212 2.350 -8.087 1.00 0.00 H new ATOM 1663 N LEU B 32 -20.116 4.964 -9.131 1.00 0.00 N ATOM 1664 CA LEU B 32 -19.792 6.203 -8.447 1.00 0.00 C ATOM 1665 C LEU B 32 -19.358 7.317 -9.376 1.00 0.00 C ATOM 1666 O LEU B 32 -19.119 8.433 -8.926 1.00 0.00 O ATOM 1667 CB LEU B 32 -18.725 5.919 -7.405 1.00 0.00 C ATOM 1668 CG LEU B 32 -19.137 4.921 -6.324 1.00 0.00 C ATOM 1669 CD1 LEU B 32 -17.960 4.552 -5.468 1.00 0.00 C ATOM 1670 CD2 LEU B 32 -20.250 5.495 -5.468 1.00 0.00 C ATOM 0 H LEU B 32 -19.319 4.348 -9.291 1.00 0.00 H new ATOM 0 HA LEU B 32 -20.704 6.566 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.836 5.541 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -18.445 6.857 -6.926 1.00 0.00 H new ATOM 0 HG LEU B 32 -19.504 4.019 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -18.274 3.841 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -17.186 4.100 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -17.564 5.447 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -20.531 4.771 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -19.905 6.412 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -21.114 5.715 -6.095 1.00 0.00 H new ATOM 1682 N GLY B 33 -19.234 7.021 -10.652 1.00 0.00 N ATOM 1683 CA GLY B 33 -18.821 8.026 -11.624 1.00 0.00 C ATOM 1684 C GLY B 33 -17.348 8.383 -11.484 1.00 0.00 C ATOM 1685 O GLY B 33 -16.874 9.355 -12.069 1.00 0.00 O ATOM 0 H GLY B 33 -19.411 6.097 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -19.010 7.655 -12.631 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -19.425 8.924 -11.496 1.00 0.00 H new ATOM 1689 N LYS B 34 -16.631 7.577 -10.735 1.00 0.00 N ATOM 1690 CA LYS B 34 -15.238 7.793 -10.437 1.00 0.00 C ATOM 1691 C LYS B 34 -14.509 6.479 -10.544 1.00 0.00 C ATOM 1692 O LYS B 34 -15.009 5.443 -10.097 1.00 0.00 O ATOM 1693 CB LYS B 34 -15.051 8.376 -9.025 1.00 0.00 C ATOM 1694 CG LYS B 34 -15.611 9.787 -8.834 1.00 0.00 C ATOM 1695 CD LYS B 34 -15.499 10.260 -7.387 1.00 0.00 C ATOM 1696 CE LYS B 34 -15.901 11.724 -7.250 1.00 0.00 C ATOM 1697 NZ LYS B 34 -15.833 12.208 -5.849 1.00 0.00 N ATOM 0 H LYS B 34 -17.012 6.733 -10.307 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.835 8.511 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.529 7.710 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.987 8.388 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -15.076 10.480 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -16.657 9.806 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -16.135 9.645 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.475 10.128 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -15.249 12.335 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.916 11.855 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.950 13.241 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.591 11.765 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.910 11.957 -5.439 1.00 0.00 H new ATOM 1711 N LYS B 35 -13.348 6.516 -11.120 1.00 0.00 N ATOM 1712 CA LYS B 35 -12.563 5.322 -11.324 1.00 0.00 C ATOM 1713 C LYS B 35 -11.510 5.226 -10.250 1.00 0.00 C ATOM 1714 O LYS B 35 -10.451 5.852 -10.316 1.00 0.00 O ATOM 1715 CB LYS B 35 -11.972 5.287 -12.740 1.00 0.00 C ATOM 1716 CG LYS B 35 -13.028 5.394 -13.850 1.00 0.00 C ATOM 1717 CD LYS B 35 -14.063 4.246 -13.843 1.00 0.00 C ATOM 1718 CE LYS B 35 -13.565 2.944 -14.499 1.00 0.00 C ATOM 1719 NZ LYS B 35 -12.406 2.324 -13.826 1.00 0.00 N ATOM 0 H LYS B 35 -12.911 7.371 -11.465 1.00 0.00 H new ATOM 0 HA LYS B 35 -13.203 4.444 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -11.260 6.105 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -11.414 4.360 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -13.553 6.344 -13.748 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -12.524 5.410 -14.817 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -14.348 4.035 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -14.963 4.579 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -14.385 2.226 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -13.299 3.153 -15.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -12.373 1.310 -14.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -11.530 2.781 -14.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -12.497 2.443 -12.797 1.00 0.00 H new ATOM 1733 N PHE B 36 -11.841 4.466 -9.251 1.00 0.00 N ATOM 1734 CA PHE B 36 -11.068 4.342 -8.045 1.00 0.00 C ATOM 1735 C PHE B 36 -9.909 3.359 -8.131 1.00 0.00 C ATOM 1736 O PHE B 36 -8.753 3.744 -7.885 1.00 0.00 O ATOM 1737 CB PHE B 36 -11.995 4.019 -6.843 1.00 0.00 C ATOM 1738 CG PHE B 36 -13.000 2.911 -7.092 1.00 0.00 C ATOM 1739 CD1 PHE B 36 -14.215 3.212 -7.674 1.00 0.00 C ATOM 1740 CD2 PHE B 36 -12.734 1.578 -6.759 1.00 0.00 C ATOM 1741 CE1 PHE B 36 -15.137 2.236 -7.919 1.00 0.00 C ATOM 1742 CE2 PHE B 36 -13.662 0.602 -7.012 1.00 0.00 C ATOM 1743 CZ PHE B 36 -14.860 0.932 -7.588 1.00 0.00 C ATOM 0 H PHE B 36 -12.685 3.894 -9.249 1.00 0.00 H new ATOM 0 HA PHE B 36 -10.596 5.312 -7.892 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.376 3.743 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -12.535 4.924 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.439 4.235 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.792 1.317 -6.300 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.084 2.489 -8.373 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.449 -0.426 -6.758 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.592 0.162 -7.783 1.00 0.00 H new ATOM 1753 N ILE B 37 -10.200 2.130 -8.517 1.00 0.00 N ATOM 1754 CA ILE B 37 -9.240 1.051 -8.424 1.00 0.00 C ATOM 1755 C ILE B 37 -8.065 1.286 -9.407 1.00 0.00 C ATOM 1756 O ILE B 37 -8.226 1.294 -10.635 1.00 0.00 O ATOM 1757 CB ILE B 37 -9.971 -0.355 -8.544 1.00 0.00 C ATOM 1758 CG1 ILE B 37 -9.342 -1.377 -7.656 1.00 0.00 C ATOM 1759 CG2 ILE B 37 -10.033 -0.919 -9.933 1.00 0.00 C ATOM 1760 CD1 ILE B 37 -10.036 -2.714 -7.707 1.00 0.00 C ATOM 0 H ILE B 37 -11.104 1.855 -8.901 1.00 0.00 H new ATOM 0 HA ILE B 37 -8.775 1.035 -7.438 1.00 0.00 H new ATOM 0 HB ILE B 37 -10.994 -0.141 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -8.298 -1.505 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -9.348 -1.010 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -10.549 -1.879 -9.913 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -10.573 -0.230 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -9.022 -1.059 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -9.530 -3.412 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -11.073 -2.598 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -10.007 -3.100 -8.726 1.00 0.00 H new ATOM 1772 N ILE B 38 -6.906 1.555 -8.857 1.00 0.00 N ATOM 1773 CA ILE B 38 -5.792 1.989 -9.668 1.00 0.00 C ATOM 1774 C ILE B 38 -4.854 0.822 -9.979 1.00 0.00 C ATOM 1775 O ILE B 38 -4.250 0.774 -11.046 1.00 0.00 O ATOM 1776 CB ILE B 38 -5.084 3.203 -9.008 1.00 0.00 C ATOM 1777 CG1 ILE B 38 -4.274 4.013 -10.001 1.00 0.00 C ATOM 1778 CG2 ILE B 38 -4.213 2.788 -7.850 1.00 0.00 C ATOM 1779 CD1 ILE B 38 -3.805 5.327 -9.413 1.00 0.00 C ATOM 0 H ILE B 38 -6.709 1.482 -7.859 1.00 0.00 H new ATOM 0 HA ILE B 38 -6.160 2.336 -10.634 1.00 0.00 H new ATOM 0 HB ILE B 38 -5.883 3.840 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -3.410 3.432 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -4.877 4.207 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.737 3.669 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -4.824 2.298 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.447 2.097 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.229 5.874 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.669 5.921 -9.114 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.179 5.133 -8.542 1.00 0.00 H new ATOM 1791 N GLN B 39 -4.741 -0.108 -9.043 1.00 0.00 N ATOM 1792 CA GLN B 39 -4.086 -1.381 -9.302 1.00 0.00 C ATOM 1793 C GLN B 39 -4.500 -2.415 -8.314 1.00 0.00 C ATOM 1794 O GLN B 39 -4.760 -2.107 -7.142 1.00 0.00 O ATOM 1795 CB GLN B 39 -2.535 -1.376 -9.454 1.00 0.00 C ATOM 1796 CG GLN B 39 -1.712 -1.170 -8.183 1.00 0.00 C ATOM 1797 CD GLN B 39 -0.325 -1.851 -8.267 1.00 0.00 C ATOM 1798 OE1 GLN B 39 -0.250 -3.020 -8.895 1.00 0.00 O flip ATOM 1799 NE2 GLN B 39 0.651 -1.375 -7.713 1.00 0.00 N flip ATOM 0 H GLN B 39 -5.096 -0.004 -8.093 1.00 0.00 H new ATOM 0 HA GLN B 39 -4.445 -1.628 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.236 -2.324 -9.901 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.267 -0.591 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -1.580 -0.102 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.260 -1.569 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN B 39 0.579 -0.477 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN B 39 1.540 -1.875 -7.728 1.00 0.00 H new ATOM 1808 N ASP B 40 -4.623 -3.620 -8.791 1.00 0.00 N ATOM 1809 CA ASP B 40 -4.870 -4.744 -7.943 1.00 0.00 C ATOM 1810 C ASP B 40 -3.549 -5.307 -7.575 1.00 0.00 C ATOM 1811 O ASP B 40 -2.718 -5.603 -8.437 1.00 0.00 O ATOM 1812 CB ASP B 40 -5.723 -5.820 -8.612 1.00 0.00 C ATOM 1813 CG ASP B 40 -7.129 -5.378 -8.874 1.00 0.00 C ATOM 1814 OD1 ASP B 40 -7.972 -5.462 -7.968 1.00 0.00 O ATOM 1815 OD2 ASP B 40 -7.425 -4.940 -10.005 1.00 0.00 O ATOM 0 H ASP B 40 -4.554 -3.849 -9.783 1.00 0.00 H new ATOM 0 HA ASP B 40 -5.433 -4.412 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -5.258 -6.109 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -5.740 -6.707 -7.979 1.00 0.00 H new ATOM 1820 N ILE B 41 -3.330 -5.427 -6.339 1.00 0.00 N ATOM 1821 CA ILE B 41 -2.098 -5.893 -5.830 1.00 0.00 C ATOM 1822 C ILE B 41 -2.232 -7.285 -5.233 1.00 0.00 C ATOM 1823 O ILE B 41 -2.500 -7.494 -4.058 1.00 0.00 O ATOM 1824 CB ILE B 41 -1.430 -4.889 -4.884 1.00 0.00 C ATOM 1825 CG1 ILE B 41 -2.469 -3.999 -4.225 1.00 0.00 C ATOM 1826 CG2 ILE B 41 -0.368 -4.047 -5.587 1.00 0.00 C ATOM 1827 CD1 ILE B 41 -1.913 -2.864 -3.448 1.00 0.00 C ATOM 0 H ILE B 41 -4.017 -5.200 -5.620 1.00 0.00 H new ATOM 0 HA ILE B 41 -1.415 -5.984 -6.675 1.00 0.00 H new ATOM 0 HB ILE B 41 -0.921 -5.467 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -3.130 -3.604 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -3.082 -4.609 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE B 41 0.075 -3.352 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE B 41 0.408 -4.700 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -0.828 -3.488 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -2.729 -2.285 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -1.276 -3.246 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -1.325 -2.225 -4.107 1.00 0.00 H new ATOM 1839 N ASP B 42 -2.156 -8.167 -6.135 1.00 0.00 N ATOM 1840 CA ASP B 42 -2.189 -9.624 -6.010 1.00 0.00 C ATOM 1841 C ASP B 42 -3.372 -10.183 -5.272 1.00 0.00 C ATOM 1842 O ASP B 42 -3.378 -10.309 -4.045 1.00 0.00 O ATOM 1843 CB ASP B 42 -0.926 -10.214 -5.486 1.00 0.00 C ATOM 1844 CG ASP B 42 -0.820 -11.701 -5.808 1.00 0.00 C ATOM 1845 OD1 ASP B 42 -1.425 -12.537 -5.109 1.00 0.00 O ATOM 1846 OD2 ASP B 42 -0.120 -12.055 -6.805 1.00 0.00 O ATOM 0 H ASP B 42 -2.056 -7.890 -7.112 1.00 0.00 H new ATOM 0 HA ASP B 42 -2.303 -9.936 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -0.073 -9.687 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -0.879 -10.071 -4.406 1.00 0.00 H new ATOM 1851 N ASP B 43 -4.380 -10.390 -6.047 1.00 0.00 N ATOM 1852 CA ASP B 43 -5.622 -11.143 -5.756 1.00 0.00 C ATOM 1853 C ASP B 43 -6.534 -10.519 -4.717 1.00 0.00 C ATOM 1854 O ASP B 43 -7.758 -10.485 -4.881 1.00 0.00 O ATOM 1855 CB ASP B 43 -5.303 -12.610 -5.404 1.00 0.00 C ATOM 1856 CG ASP B 43 -6.508 -13.386 -4.915 1.00 0.00 C ATOM 1857 OD1 ASP B 43 -7.313 -13.874 -5.742 1.00 0.00 O ATOM 1858 OD2 ASP B 43 -6.660 -13.531 -3.691 1.00 0.00 O ATOM 0 H ASP B 43 -4.389 -10.015 -6.996 1.00 0.00 H new ATOM 0 HA ASP B 43 -6.196 -11.102 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP B 43 -4.893 -13.106 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP B 43 -4.530 -12.632 -4.636 1.00 0.00 H new ATOM 1863 N THR B 44 -5.968 -10.022 -3.700 1.00 0.00 N ATOM 1864 CA THR B 44 -6.745 -9.532 -2.586 1.00 0.00 C ATOM 1865 C THR B 44 -6.497 -8.049 -2.311 1.00 0.00 C ATOM 1866 O THR B 44 -7.403 -7.339 -1.884 1.00 0.00 O ATOM 1867 CB THR B 44 -6.456 -10.344 -1.294 1.00 0.00 C ATOM 1868 OG1 THR B 44 -6.432 -11.770 -1.596 1.00 0.00 O ATOM 1869 CG2 THR B 44 -7.555 -10.098 -0.257 1.00 0.00 C ATOM 0 H THR B 44 -4.958 -9.931 -3.590 1.00 0.00 H new ATOM 0 HA THR B 44 -7.790 -9.659 -2.869 1.00 0.00 H new ATOM 0 HB THR B 44 -5.491 -10.024 -0.901 1.00 0.00 H new ATOM 0 HG1 THR B 44 -6.712 -11.913 -2.524 1.00 0.00 H new ATOM 0 HG21 THR B 44 -7.341 -10.673 0.644 1.00 0.00 H new ATOM 0 HG22 THR B 44 -7.591 -9.037 -0.010 1.00 0.00 H new ATOM 0 HG23 THR B 44 -8.517 -10.409 -0.665 1.00 0.00 H new ATOM 1877 N HIS B 45 -5.303 -7.546 -2.603 1.00 0.00 N ATOM 1878 CA HIS B 45 -5.019 -6.187 -2.197 1.00 0.00 C ATOM 1879 C HIS B 45 -5.371 -5.265 -3.304 1.00 0.00 C ATOM 1880 O HIS B 45 -5.330 -5.649 -4.468 1.00 0.00 O ATOM 1881 CB HIS B 45 -3.553 -6.018 -1.795 1.00 0.00 C ATOM 1882 CG HIS B 45 -3.149 -6.856 -0.650 1.00 0.00 C ATOM 1883 ND1 HIS B 45 -2.889 -6.345 0.573 1.00 0.00 N ATOM 1884 CD2 HIS B 45 -2.980 -8.188 -0.544 1.00 0.00 C ATOM 1885 CE1 HIS B 45 -2.587 -7.317 1.392 1.00 0.00 C ATOM 1886 NE2 HIS B 45 -2.636 -8.450 0.742 1.00 0.00 N ATOM 0 H HIS B 45 -4.554 -8.034 -3.094 1.00 0.00 H new ATOM 0 HA HIS B 45 -5.621 -5.949 -1.320 1.00 0.00 H new ATOM 0 HB2 HIS B 45 -2.921 -6.259 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS B 45 -3.372 -4.972 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS B 45 -3.097 -8.913 -1.336 1.00 0.00 H new ATOM 0 HE1 HIS B 45 -2.337 -7.203 2.437 1.00 0.00 H new ATOM 0 HE2 HIS B 45 -2.448 -9.373 1.134 1.00 0.00 H new ATOM 1895 N VAL B 46 -5.740 -4.079 -2.967 1.00 0.00 N ATOM 1896 CA VAL B 46 -6.085 -3.078 -3.936 1.00 0.00 C ATOM 1897 C VAL B 46 -5.441 -1.767 -3.590 1.00 0.00 C ATOM 1898 O VAL B 46 -5.168 -1.486 -2.418 1.00 0.00 O ATOM 1899 CB VAL B 46 -7.639 -2.942 -4.079 1.00 0.00 C ATOM 1900 CG1 VAL B 46 -8.066 -1.586 -4.631 1.00 0.00 C ATOM 1901 CG2 VAL B 46 -8.130 -4.011 -5.015 1.00 0.00 C ATOM 0 H VAL B 46 -5.814 -3.765 -1.999 1.00 0.00 H new ATOM 0 HA VAL B 46 -5.700 -3.391 -4.907 1.00 0.00 H new ATOM 0 HB VAL B 46 -8.069 -3.044 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -9.153 -1.550 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.723 -0.797 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.627 -1.441 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -9.211 -3.930 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -7.656 -3.888 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -7.879 -4.992 -4.611 1.00 0.00 H new ATOM 1911 N PHE B 47 -5.114 -1.025 -4.598 1.00 0.00 N ATOM 1912 CA PHE B 47 -4.629 0.274 -4.427 1.00 0.00 C ATOM 1913 C PHE B 47 -5.601 1.213 -5.115 1.00 0.00 C ATOM 1914 O PHE B 47 -6.119 0.903 -6.213 1.00 0.00 O ATOM 1915 CB PHE B 47 -3.249 0.398 -5.026 1.00 0.00 C ATOM 1916 CG PHE B 47 -2.471 1.524 -4.448 1.00 0.00 C ATOM 1917 CD1 PHE B 47 -2.055 1.465 -3.136 1.00 0.00 C ATOM 1918 CD2 PHE B 47 -2.159 2.622 -5.195 1.00 0.00 C ATOM 1919 CE1 PHE B 47 -1.339 2.490 -2.577 1.00 0.00 C ATOM 1920 CE2 PHE B 47 -1.441 3.656 -4.646 1.00 0.00 C ATOM 1921 CZ PHE B 47 -1.031 3.588 -3.331 1.00 0.00 C ATOM 0 H PHE B 47 -5.183 -1.324 -5.571 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.549 0.523 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -2.704 -0.533 -4.869 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.336 0.538 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.297 0.598 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.479 2.679 -6.225 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.020 2.431 -1.547 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.198 4.522 -5.244 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.467 4.401 -2.898 1.00 0.00 H new ATOM 1931 N VAL B 48 -5.869 2.304 -4.488 1.00 0.00 N ATOM 1932 CA VAL B 48 -6.777 3.313 -4.978 1.00 0.00 C ATOM 1933 C VAL B 48 -6.190 4.662 -4.625 1.00 0.00 C ATOM 1934 O VAL B 48 -5.381 4.741 -3.723 1.00 0.00 O ATOM 1935 CB VAL B 48 -8.208 3.102 -4.360 1.00 0.00 C ATOM 1936 CG1 VAL B 48 -8.152 2.925 -2.848 1.00 0.00 C ATOM 1937 CG2 VAL B 48 -9.166 4.233 -4.704 1.00 0.00 C ATOM 0 H VAL B 48 -5.454 2.539 -3.586 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.897 3.248 -6.059 1.00 0.00 H new ATOM 0 HB VAL B 48 -8.590 2.185 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.161 2.782 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.544 2.054 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -7.711 3.813 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.138 4.036 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.771 5.174 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -9.276 4.300 -5.786 1.00 0.00 H new ATOM 1947 N ILE B 49 -6.532 5.706 -5.337 1.00 0.00 N ATOM 1948 CA ILE B 49 -5.944 6.979 -5.013 1.00 0.00 C ATOM 1949 C ILE B 49 -6.716 7.611 -3.840 1.00 0.00 C ATOM 1950 O ILE B 49 -7.909 7.318 -3.640 1.00 0.00 O ATOM 1951 CB ILE B 49 -5.806 7.911 -6.243 1.00 0.00 C ATOM 1952 CG1 ILE B 49 -4.629 8.884 -6.045 1.00 0.00 C ATOM 1953 CG2 ILE B 49 -7.103 8.663 -6.542 1.00 0.00 C ATOM 1954 CD1 ILE B 49 -4.363 9.796 -7.224 1.00 0.00 C ATOM 0 H ILE B 49 -7.190 5.704 -6.117 1.00 0.00 H new ATOM 0 HA ILE B 49 -4.915 6.819 -4.691 1.00 0.00 H new ATOM 0 HB ILE B 49 -5.599 7.287 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -4.825 9.497 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -3.728 8.307 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.960 9.304 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -7.900 7.948 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.376 9.274 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -3.518 10.447 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -4.133 9.195 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.246 10.404 -7.421 1.00 0.00 H new ATOM 1966 N ALA B 50 -6.048 8.480 -3.112 1.00 0.00 N ATOM 1967 CA ALA B 50 -6.512 8.961 -1.822 1.00 0.00 C ATOM 1968 C ALA B 50 -7.894 9.608 -1.807 1.00 0.00 C ATOM 1969 O ALA B 50 -8.747 9.220 -1.018 1.00 0.00 O ATOM 1970 CB ALA B 50 -5.468 9.853 -1.172 1.00 0.00 C ATOM 0 H ALA B 50 -5.155 8.880 -3.401 1.00 0.00 H new ATOM 0 HA ALA B 50 -6.646 8.059 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.837 10.202 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -4.547 9.288 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -5.270 10.710 -1.816 1.00 0.00 H new ATOM 1976 N GLU B 51 -8.137 10.525 -2.697 1.00 0.00 N ATOM 1977 CA GLU B 51 -9.398 11.267 -2.693 1.00 0.00 C ATOM 1978 C GLU B 51 -10.627 10.395 -3.045 1.00 0.00 C ATOM 1979 O GLU B 51 -11.769 10.749 -2.721 1.00 0.00 O ATOM 1980 CB GLU B 51 -9.305 12.491 -3.596 1.00 0.00 C ATOM 1981 CG GLU B 51 -8.195 13.469 -3.201 1.00 0.00 C ATOM 1982 CD GLU B 51 -8.338 14.007 -1.800 1.00 0.00 C ATOM 1983 OE1 GLU B 51 -9.340 14.677 -1.501 1.00 0.00 O ATOM 1984 OE2 GLU B 51 -7.446 13.768 -0.968 1.00 0.00 O ATOM 0 H GLU B 51 -7.490 10.789 -3.440 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.558 11.600 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -9.138 12.162 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -10.260 13.015 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -7.231 12.969 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.189 14.303 -3.903 1.00 0.00 H new ATOM 1991 N LEU B 52 -10.403 9.257 -3.689 1.00 0.00 N ATOM 1992 CA LEU B 52 -11.518 8.417 -4.130 1.00 0.00 C ATOM 1993 C LEU B 52 -11.846 7.351 -3.138 1.00 0.00 C ATOM 1994 O LEU B 52 -12.847 6.674 -3.259 1.00 0.00 O ATOM 1995 CB LEU B 52 -11.188 7.755 -5.447 1.00 0.00 C ATOM 1996 CG LEU B 52 -10.805 8.699 -6.543 1.00 0.00 C ATOM 1997 CD1 LEU B 52 -10.458 7.935 -7.800 1.00 0.00 C ATOM 1998 CD2 LEU B 52 -11.914 9.687 -6.808 1.00 0.00 C ATOM 0 H LEU B 52 -9.477 8.895 -3.917 1.00 0.00 H new ATOM 0 HA LEU B 52 -12.381 9.074 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.370 7.052 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -12.051 7.173 -5.772 1.00 0.00 H new ATOM 0 HG LEU B 52 -9.924 9.256 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -10.182 8.636 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -9.621 7.266 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.321 7.351 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -11.615 10.364 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -12.816 9.151 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -12.114 10.261 -5.903 1.00 0.00 H new ATOM 2010 N VAL B 53 -11.023 7.176 -2.168 1.00 0.00 N ATOM 2011 CA VAL B 53 -11.303 6.172 -1.180 1.00 0.00 C ATOM 2012 C VAL B 53 -12.470 6.602 -0.300 1.00 0.00 C ATOM 2013 O VAL B 53 -13.230 5.778 0.217 1.00 0.00 O ATOM 2014 CB VAL B 53 -10.061 5.727 -0.398 1.00 0.00 C ATOM 2015 CG1 VAL B 53 -9.642 6.747 0.655 1.00 0.00 C ATOM 2016 CG2 VAL B 53 -10.229 4.332 0.190 1.00 0.00 C ATOM 0 H VAL B 53 -10.160 7.701 -2.029 1.00 0.00 H new ATOM 0 HA VAL B 53 -11.615 5.268 -1.703 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.243 5.672 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -8.758 6.385 1.181 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -9.413 7.696 0.171 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -10.455 6.890 1.367 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -9.327 4.056 0.736 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -11.081 4.324 0.870 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -10.400 3.616 -0.614 1.00 0.00 H new ATOM 2026 N ASN B 54 -12.589 7.908 -0.147 1.00 0.00 N ATOM 2027 CA ASN B 54 -13.662 8.528 0.601 1.00 0.00 C ATOM 2028 C ASN B 54 -15.015 8.098 0.047 1.00 0.00 C ATOM 2029 O ASN B 54 -15.925 7.750 0.811 1.00 0.00 O ATOM 2030 CB ASN B 54 -13.523 10.060 0.579 1.00 0.00 C ATOM 2031 CG ASN B 54 -12.252 10.545 1.265 1.00 0.00 C ATOM 2032 OD1 ASN B 54 -11.750 9.904 2.195 1.00 0.00 O ATOM 2033 ND2 ASN B 54 -11.717 11.660 0.820 1.00 0.00 N ATOM 0 H ASN B 54 -11.931 8.577 -0.546 1.00 0.00 H new ATOM 0 HA ASN B 54 -13.597 8.197 1.638 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -13.528 10.406 -0.454 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -14.388 10.506 1.069 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.862 12.020 1.244 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.157 12.165 0.051 1.00 0.00 H new ATOM 2040 N VAL B 55 -15.126 8.039 -1.289 1.00 0.00 N ATOM 2041 CA VAL B 55 -16.372 7.620 -1.913 1.00 0.00 C ATOM 2042 C VAL B 55 -16.645 6.159 -1.666 1.00 0.00 C ATOM 2043 O VAL B 55 -17.778 5.737 -1.526 1.00 0.00 O ATOM 2044 CB VAL B 55 -16.521 7.972 -3.420 1.00 0.00 C ATOM 2045 CG1 VAL B 55 -16.385 9.449 -3.634 1.00 0.00 C ATOM 2046 CG2 VAL B 55 -15.557 7.219 -4.318 1.00 0.00 C ATOM 0 H VAL B 55 -14.377 8.273 -1.941 1.00 0.00 H new ATOM 0 HA VAL B 55 -17.135 8.220 -1.417 1.00 0.00 H new ATOM 0 HB VAL B 55 -17.523 7.651 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -16.492 9.674 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -17.160 9.971 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -15.404 9.778 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -15.719 7.515 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -14.532 7.453 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -15.727 6.147 -4.216 1.00 0.00 H new ATOM 2056 N LEU B 56 -15.600 5.396 -1.607 1.00 0.00 N ATOM 2057 CA LEU B 56 -15.709 3.989 -1.329 1.00 0.00 C ATOM 2058 C LEU B 56 -16.181 3.748 0.091 1.00 0.00 C ATOM 2059 O LEU B 56 -16.915 2.815 0.346 1.00 0.00 O ATOM 2060 CB LEU B 56 -14.410 3.263 -1.598 1.00 0.00 C ATOM 2061 CG LEU B 56 -13.880 3.380 -3.016 1.00 0.00 C ATOM 2062 CD1 LEU B 56 -12.700 2.486 -3.192 1.00 0.00 C ATOM 2063 CD2 LEU B 56 -14.948 3.036 -4.027 1.00 0.00 C ATOM 0 H LEU B 56 -14.645 5.725 -1.749 1.00 0.00 H new ATOM 0 HA LEU B 56 -16.458 3.582 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -13.652 3.643 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -14.549 2.207 -1.366 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.577 4.414 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -12.325 2.575 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.917 2.775 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -12.994 1.454 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -14.540 3.129 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.286 2.012 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -15.790 3.718 -3.913 1.00 0.00 H new ATOM 2075 N GLN B 57 -15.753 4.592 1.012 1.00 0.00 N ATOM 2076 CA GLN B 57 -16.167 4.473 2.393 1.00 0.00 C ATOM 2077 C GLN B 57 -17.644 4.659 2.560 1.00 0.00 C ATOM 2078 O GLN B 57 -18.316 3.842 3.202 1.00 0.00 O ATOM 2079 CB GLN B 57 -15.400 5.408 3.250 1.00 0.00 C ATOM 2080 CG GLN B 57 -14.515 4.644 4.212 1.00 0.00 C ATOM 2081 CD GLN B 57 -13.323 3.883 3.586 1.00 0.00 C ATOM 2082 OE1 GLN B 57 -13.455 3.400 2.381 1.00 0.00 O flip ATOM 2083 NE2 GLN B 57 -12.287 3.722 4.223 1.00 0.00 N flip ATOM 0 H GLN B 57 -15.118 5.368 0.825 1.00 0.00 H new ATOM 0 HA GLN B 57 -15.945 3.455 2.715 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -14.790 6.063 2.628 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -16.086 6.046 3.807 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -14.124 5.346 4.949 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -15.134 3.927 4.751 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -12.202 4.107 5.164 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -11.511 3.203 3.812 1.00 0.00 H new ATOM 2092 N GLU B 58 -18.177 5.677 1.915 1.00 0.00 N ATOM 2093 CA GLU B 58 -19.604 5.881 1.929 1.00 0.00 C ATOM 2094 C GLU B 58 -20.302 4.806 1.137 1.00 0.00 C ATOM 2095 O GLU B 58 -21.440 4.433 1.446 1.00 0.00 O ATOM 2096 CB GLU B 58 -20.030 7.261 1.453 1.00 0.00 C ATOM 2097 CG GLU B 58 -19.403 7.712 0.157 1.00 0.00 C ATOM 2098 CD GLU B 58 -19.886 9.063 -0.265 1.00 0.00 C ATOM 2099 OE1 GLU B 58 -19.527 10.055 0.388 1.00 0.00 O ATOM 2100 OE2 GLU B 58 -20.651 9.166 -1.241 1.00 0.00 O ATOM 0 H GLU B 58 -17.648 6.367 1.381 1.00 0.00 H new ATOM 0 HA GLU B 58 -19.908 5.816 2.974 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -21.114 7.270 1.337 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -19.787 7.987 2.229 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -18.319 7.734 0.268 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -19.628 6.987 -0.625 1.00 0.00 H new ATOM 2107 N ARG B 59 -19.630 4.326 0.097 1.00 0.00 N ATOM 2108 CA ARG B 59 -20.157 3.264 -0.722 1.00 0.00 C ATOM 2109 C ARG B 59 -20.408 2.028 0.133 1.00 0.00 C ATOM 2110 O ARG B 59 -21.474 1.460 0.068 1.00 0.00 O ATOM 2111 CB ARG B 59 -19.205 2.939 -1.910 1.00 0.00 C ATOM 2112 CG ARG B 59 -19.652 1.791 -2.827 1.00 0.00 C ATOM 2113 CD ARG B 59 -21.014 2.085 -3.427 1.00 0.00 C ATOM 2114 NE ARG B 59 -21.570 1.013 -4.258 1.00 0.00 N ATOM 2115 CZ ARG B 59 -22.651 1.159 -5.060 1.00 0.00 C ATOM 2116 NH1 ARG B 59 -23.256 2.344 -5.159 1.00 0.00 N ATOM 2117 NH2 ARG B 59 -23.127 0.124 -5.737 1.00 0.00 N ATOM 0 H ARG B 59 -18.713 4.665 -0.193 1.00 0.00 H new ATOM 0 HA ARG B 59 -21.104 3.594 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG B 59 -19.089 3.838 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG B 59 -18.222 2.696 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG B 59 -18.921 1.649 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG B 59 -19.691 0.861 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG B 59 -21.713 2.296 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG B 59 -20.941 2.990 -4.030 1.00 0.00 H new ATOM 0 HE ARG B 59 -21.114 0.101 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG B 59 -22.904 3.142 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG B 59 -24.070 2.452 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG B 59 -22.679 -0.789 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG B 59 -23.942 0.240 -6.340 1.00 0.00 H new ATOM 2131 N VAL B 60 -19.456 1.696 0.992 1.00 0.00 N ATOM 2132 CA VAL B 60 -19.570 0.535 1.871 1.00 0.00 C ATOM 2133 C VAL B 60 -20.607 0.790 2.972 1.00 0.00 C ATOM 2134 O VAL B 60 -21.419 -0.090 3.287 1.00 0.00 O ATOM 2135 CB VAL B 60 -18.194 0.148 2.503 1.00 0.00 C ATOM 2136 CG1 VAL B 60 -18.321 -1.066 3.413 1.00 0.00 C ATOM 2137 CG2 VAL B 60 -17.168 -0.131 1.419 1.00 0.00 C ATOM 0 H VAL B 60 -18.587 2.218 1.102 1.00 0.00 H new ATOM 0 HA VAL B 60 -19.902 -0.304 1.259 1.00 0.00 H new ATOM 0 HB VAL B 60 -17.861 0.995 3.104 1.00 0.00 H new ATOM 0 HG11 VAL B 60 -17.346 -1.308 3.836 1.00 0.00 H new ATOM 0 HG12 VAL B 60 -19.021 -0.845 4.219 1.00 0.00 H new ATOM 0 HG13 VAL B 60 -18.687 -1.916 2.837 1.00 0.00 H new ATOM 0 HG21 VAL B 60 -16.217 -0.399 1.879 1.00 0.00 H new ATOM 0 HG22 VAL B 60 -17.514 -0.955 0.794 1.00 0.00 H new ATOM 0 HG23 VAL B 60 -17.036 0.760 0.805 1.00 0.00 H new ATOM 2147 N GLY B 61 -20.596 1.995 3.519 1.00 0.00 N ATOM 2148 CA GLY B 61 -21.538 2.353 4.566 1.00 0.00 C ATOM 2149 C GLY B 61 -22.985 2.317 4.093 1.00 0.00 C ATOM 2150 O GLY B 61 -23.815 1.587 4.642 1.00 0.00 O ATOM 0 H GLY B 61 -19.948 2.738 3.257 1.00 0.00 H new ATOM 0 HA2 GLY B 61 -21.418 1.669 5.406 1.00 0.00 H new ATOM 0 HA3 GLY B 61 -21.305 3.353 4.932 1.00 0.00 H new