USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot -150:sc= 0.607 USER MOD Set 1.2: A 56 THR OG1 : rot 95:sc= 0.679 USER MOD Set 2.1: A 37 SER OG : rot -171:sc= 1.02 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.685 K(o=1.7,f=-0.26) USER MOD Set 3.1: A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.048) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 12 MET CE :methyl -174:sc=-0.00812 (180deg=-0.106) USER MOD Single : A 16 SER OG : rot 35:sc= 0.102 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 20 SER OG : rot 76:sc= 0.91 USER MOD Single : A 26 SER OG : rot -48:sc= 0.853 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0861) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -77:sc= 0.899 USER MOD Single : A 41 SER OG : rot -14:sc= 0.748 USER MOD Single : A 42 ASN : amide:sc= 0.557 K(o=0.56,f=-5.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 64 MET CE :methyl -172:sc= -0.0144 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.655 -19.927 1.270 1.00 0.00 N ATOM 37 CA GLN A 3 0.285 -19.428 1.220 1.00 0.00 C ATOM 38 C GLN A 3 0.300 -17.905 1.372 1.00 0.00 C ATOM 39 O GLN A 3 1.342 -17.315 1.650 1.00 0.00 O ATOM 40 CB GLN A 3 -0.551 -20.072 2.340 1.00 0.00 C ATOM 41 CG GLN A 3 -0.879 -21.551 2.100 1.00 0.00 C ATOM 42 CD GLN A 3 -1.877 -21.745 0.960 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.085 -21.670 1.173 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.384 -22.000 -0.252 1.00 0.00 N ATOM 0 HA GLN A 3 -0.166 -19.689 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.011 -19.978 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.483 -19.517 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.039 -22.092 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.286 -21.984 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.375 -22.055 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.016 -22.140 -1.040 1.00 0.00 H new ATOM 53 N GLU A 4 -0.866 -17.274 1.190 1.00 0.00 N ATOM 54 CA GLU A 4 -1.060 -15.844 1.379 1.00 0.00 C ATOM 55 C GLU A 4 -2.409 -15.612 2.052 1.00 0.00 C ATOM 56 O GLU A 4 -3.372 -16.324 1.771 1.00 0.00 O ATOM 57 CB GLU A 4 -0.945 -15.119 0.031 1.00 0.00 C ATOM 58 CG GLU A 4 -1.022 -13.595 0.190 1.00 0.00 C ATOM 59 CD GLU A 4 -0.764 -12.884 -1.135 1.00 0.00 C ATOM 60 OE1 GLU A 4 0.430 -12.666 -1.439 1.00 0.00 O ATOM 61 OE2 GLU A 4 -1.763 -12.571 -1.818 1.00 0.00 O ATOM 0 H GLU A 4 -1.715 -17.760 0.901 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.286 -15.434 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.002 -15.387 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.743 -15.455 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.005 -13.316 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.291 -13.267 0.929 1.00 0.00 H new ATOM 68 N THR A 5 -2.461 -14.623 2.952 1.00 0.00 N ATOM 69 CA THR A 5 -3.647 -14.263 3.713 1.00 0.00 C ATOM 70 C THR A 5 -3.777 -12.744 3.756 1.00 0.00 C ATOM 71 O THR A 5 -2.774 -12.033 3.734 1.00 0.00 O ATOM 72 CB THR A 5 -3.574 -14.873 5.124 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.768 -14.616 5.836 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.387 -14.353 5.946 1.00 0.00 C ATOM 0 H THR A 5 -1.654 -14.040 3.172 1.00 0.00 H new ATOM 0 HA THR A 5 -4.537 -14.666 3.230 1.00 0.00 H new ATOM 0 HB THR A 5 -3.435 -15.945 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.550 -14.247 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.393 -14.822 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.456 -14.595 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.468 -13.272 6.059 1.00 0.00 H new ATOM 82 N VAL A 6 -5.023 -12.264 3.828 1.00 0.00 N ATOM 83 CA VAL A 6 -5.360 -10.866 4.032 1.00 0.00 C ATOM 84 C VAL A 6 -5.968 -10.750 5.429 1.00 0.00 C ATOM 85 O VAL A 6 -6.754 -11.607 5.833 1.00 0.00 O ATOM 86 CB VAL A 6 -6.323 -10.371 2.938 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.502 -8.848 3.029 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.801 -10.706 1.535 1.00 0.00 C ATOM 0 H VAL A 6 -5.844 -12.863 3.742 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.475 -10.234 3.961 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.275 -10.877 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.186 -8.515 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.911 -8.587 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.536 -8.360 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.506 -10.342 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.833 -10.229 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.693 -11.786 1.435 1.00 0.00 H new ATOM 98 N ILE A 7 -5.590 -9.700 6.165 1.00 0.00 N ATOM 99 CA ILE A 7 -6.055 -9.426 7.516 1.00 0.00 C ATOM 100 C ILE A 7 -6.440 -7.948 7.559 1.00 0.00 C ATOM 101 O ILE A 7 -5.619 -7.106 7.213 1.00 0.00 O ATOM 102 CB ILE A 7 -4.940 -9.766 8.531 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.481 -11.228 8.359 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.422 -9.514 9.968 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.423 -11.665 9.376 1.00 0.00 C ATOM 0 H ILE A 7 -4.932 -9.000 5.821 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.917 -10.037 7.782 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.088 -9.114 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.347 -11.884 8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.081 -11.358 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.623 -9.759 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.695 -8.465 10.082 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.291 -10.139 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.149 -12.704 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.540 -11.034 9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.826 -11.568 10.384 1.00 0.00 H new ATOM 117 N ASN A 8 -7.670 -7.625 7.973 1.00 0.00 N ATOM 118 CA ASN A 8 -8.107 -6.248 8.180 1.00 0.00 C ATOM 119 C ASN A 8 -7.387 -5.696 9.407 1.00 0.00 C ATOM 120 O ASN A 8 -7.386 -6.349 10.448 1.00 0.00 O ATOM 121 CB ASN A 8 -9.625 -6.175 8.404 1.00 0.00 C ATOM 122 CG ASN A 8 -10.431 -6.898 7.330 1.00 0.00 C ATOM 123 OD1 ASN A 8 -11.183 -7.820 7.637 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.274 -6.500 6.067 1.00 0.00 N ATOM 0 H ASN A 8 -8.391 -8.318 8.174 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.869 -5.661 7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.862 -6.605 9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.930 -5.129 8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.787 -6.965 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.641 -5.731 5.850 1.00 0.00 H new ATOM 131 N ILE A 9 -6.781 -4.508 9.283 1.00 0.00 N ATOM 132 CA ILE A 9 -6.047 -3.849 10.354 1.00 0.00 C ATOM 133 C ILE A 9 -6.558 -2.415 10.444 1.00 0.00 C ATOM 134 O ILE A 9 -6.352 -1.633 9.517 1.00 0.00 O ATOM 135 CB ILE A 9 -4.525 -3.871 10.106 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.016 -5.274 9.733 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.831 -3.361 11.379 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.519 -5.298 9.404 1.00 0.00 C ATOM 0 H ILE A 9 -6.792 -3.973 8.415 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.212 -4.379 11.292 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.293 -3.228 9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.212 -5.958 10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.577 -5.642 8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.751 -3.366 11.232 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.163 -2.345 11.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.086 -4.010 12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.219 -6.314 9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.322 -4.638 8.559 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.951 -4.959 10.270 1.00 0.00 H new ATOM 150 N ASP A 10 -7.220 -2.076 11.555 1.00 0.00 N ATOM 151 CA ASP A 10 -7.767 -0.748 11.795 1.00 0.00 C ATOM 152 C ASP A 10 -7.088 -0.117 13.013 1.00 0.00 C ATOM 153 O ASP A 10 -6.588 -0.819 13.892 1.00 0.00 O ATOM 154 CB ASP A 10 -9.290 -0.835 11.952 1.00 0.00 C ATOM 155 CG ASP A 10 -9.943 -1.413 10.698 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.202 -0.616 9.771 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.167 -2.644 10.685 1.00 0.00 O ATOM 0 H ASP A 10 -7.390 -2.729 12.320 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.565 -0.101 10.942 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.534 -1.458 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.695 0.157 12.152 1.00 0.00 H new ATOM 162 N GLY A 11 -7.061 1.221 13.040 1.00 0.00 N ATOM 163 CA GLY A 11 -6.384 2.010 14.060 1.00 0.00 C ATOM 164 C GLY A 11 -4.917 2.287 13.712 1.00 0.00 C ATOM 165 O GLY A 11 -4.132 2.605 14.603 1.00 0.00 O ATOM 0 H GLY A 11 -7.523 1.793 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.908 2.957 14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.435 1.485 15.014 1.00 0.00 H new ATOM 169 N MET A 12 -4.546 2.180 12.429 1.00 0.00 N ATOM 170 CA MET A 12 -3.201 2.463 11.951 1.00 0.00 C ATOM 171 C MET A 12 -3.056 3.971 11.743 1.00 0.00 C ATOM 172 O MET A 12 -3.450 4.488 10.698 1.00 0.00 O ATOM 173 CB MET A 12 -2.936 1.704 10.642 1.00 0.00 C ATOM 174 CG MET A 12 -3.061 0.187 10.809 1.00 0.00 C ATOM 175 SD MET A 12 -2.437 -0.792 9.412 1.00 0.00 S ATOM 176 CE MET A 12 -3.412 -0.107 8.053 1.00 0.00 C ATOM 0 H MET A 12 -5.186 1.890 11.690 1.00 0.00 H new ATOM 0 HA MET A 12 -2.468 2.131 12.687 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.639 2.042 9.881 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.936 1.946 10.282 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.524 -0.110 11.710 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.111 -0.061 10.967 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.221 -0.678 7.144 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.472 -0.163 8.301 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.132 0.934 7.893 1.00 0.00 H new ATOM 225 N SER A 16 3.399 6.116 9.721 1.00 0.00 N ATOM 226 CA SER A 16 4.176 5.637 10.853 1.00 0.00 C ATOM 227 C SER A 16 3.782 4.203 11.206 1.00 0.00 C ATOM 228 O SER A 16 4.638 3.321 11.247 1.00 0.00 O ATOM 229 CB SER A 16 3.977 6.577 12.047 1.00 0.00 C ATOM 230 OG SER A 16 4.399 7.883 11.716 1.00 0.00 O ATOM 0 HA SER A 16 5.233 5.632 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.927 6.589 12.338 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.541 6.211 12.905 1.00 0.00 H new ATOM 0 HG SER A 16 4.197 8.063 10.774 1.00 0.00 H new ATOM 236 N CYS A 17 2.486 3.969 11.450 1.00 0.00 N ATOM 237 CA CYS A 17 1.980 2.652 11.809 1.00 0.00 C ATOM 238 C CYS A 17 2.142 1.666 10.658 1.00 0.00 C ATOM 239 O CYS A 17 2.559 0.536 10.894 1.00 0.00 O ATOM 240 CB CYS A 17 0.520 2.735 12.254 1.00 0.00 C ATOM 241 SG CYS A 17 0.453 3.513 13.883 1.00 0.00 S ATOM 0 H CYS A 17 1.766 4.690 11.402 1.00 0.00 H new ATOM 0 HA CYS A 17 2.571 2.284 12.647 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.062 3.313 11.535 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.080 1.739 12.293 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.784 3.593 14.275 1.00 0.00 H new ATOM 247 N VAL A 18 1.827 2.086 9.426 1.00 0.00 N ATOM 248 CA VAL A 18 1.983 1.255 8.236 1.00 0.00 C ATOM 249 C VAL A 18 3.407 0.694 8.174 1.00 0.00 C ATOM 250 O VAL A 18 3.593 -0.518 8.077 1.00 0.00 O ATOM 251 CB VAL A 18 1.646 2.070 6.975 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.896 1.258 5.697 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.180 2.515 6.978 1.00 0.00 C ATOM 0 H VAL A 18 1.456 3.016 9.231 1.00 0.00 H new ATOM 0 HA VAL A 18 1.291 0.415 8.287 1.00 0.00 H new ATOM 0 HB VAL A 18 2.299 2.943 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.647 1.865 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.946 0.968 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.273 0.364 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.028 3.089 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.466 1.638 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.010 3.136 7.854 1.00 0.00 H new ATOM 263 N GLN A 19 4.402 1.587 8.241 1.00 0.00 N ATOM 264 CA GLN A 19 5.813 1.243 8.179 1.00 0.00 C ATOM 265 C GLN A 19 6.210 0.327 9.338 1.00 0.00 C ATOM 266 O GLN A 19 6.900 -0.664 9.114 1.00 0.00 O ATOM 267 CB GLN A 19 6.649 2.531 8.158 1.00 0.00 C ATOM 268 CG GLN A 19 8.159 2.265 8.063 1.00 0.00 C ATOM 269 CD GLN A 19 8.530 1.417 6.848 1.00 0.00 C ATOM 270 OE1 GLN A 19 9.010 0.295 6.994 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.310 1.949 5.645 1.00 0.00 N ATOM 0 H GLN A 19 4.237 2.588 8.342 1.00 0.00 H new ATOM 0 HA GLN A 19 6.007 0.687 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.340 3.145 7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.443 3.106 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.689 3.216 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.493 1.760 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.910 2.884 5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.542 1.421 4.804 1.00 0.00 H new ATOM 280 N SER A 20 5.782 0.649 10.566 1.00 0.00 N ATOM 281 CA SER A 20 6.099 -0.144 11.748 1.00 0.00 C ATOM 282 C SER A 20 5.605 -1.583 11.591 1.00 0.00 C ATOM 283 O SER A 20 6.384 -2.522 11.744 1.00 0.00 O ATOM 284 CB SER A 20 5.498 0.505 13.001 1.00 0.00 C ATOM 285 OG SER A 20 6.032 1.797 13.192 1.00 0.00 O ATOM 0 H SER A 20 5.206 1.468 10.762 1.00 0.00 H new ATOM 0 HA SER A 20 7.183 -0.174 11.860 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.414 0.564 12.903 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.706 -0.114 13.874 1.00 0.00 H new ATOM 0 HG SER A 20 5.616 2.420 12.560 1.00 0.00 H new ATOM 291 N ILE A 21 4.315 -1.750 11.279 1.00 0.00 N ATOM 292 CA ILE A 21 3.670 -3.046 11.115 1.00 0.00 C ATOM 293 C ILE A 21 4.387 -3.845 10.027 1.00 0.00 C ATOM 294 O ILE A 21 4.828 -4.966 10.273 1.00 0.00 O ATOM 295 CB ILE A 21 2.174 -2.844 10.798 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.453 -2.223 12.009 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.487 -4.169 10.429 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.102 -1.623 11.617 1.00 0.00 C ATOM 0 H ILE A 21 3.680 -0.965 11.131 1.00 0.00 H new ATOM 0 HA ILE A 21 3.737 -3.618 12.040 1.00 0.00 H new ATOM 0 HB ILE A 21 2.112 -2.172 9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.304 -2.985 12.774 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.081 -1.448 12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.435 -3.985 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.969 -4.596 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.570 -4.866 11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.376 -1.195 12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.253 -0.843 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.536 -2.403 11.202 1.00 0.00 H new ATOM 310 N GLU A 22 4.499 -3.260 8.828 1.00 0.00 N ATOM 311 CA GLU A 22 5.096 -3.894 7.663 1.00 0.00 C ATOM 312 C GLU A 22 6.531 -4.343 7.959 1.00 0.00 C ATOM 313 O GLU A 22 6.885 -5.495 7.712 1.00 0.00 O ATOM 314 CB GLU A 22 5.018 -2.915 6.483 1.00 0.00 C ATOM 315 CG GLU A 22 5.366 -3.576 5.147 1.00 0.00 C ATOM 316 CD GLU A 22 5.122 -2.614 3.987 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.931 -2.380 3.684 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.127 -2.125 3.429 1.00 0.00 O ATOM 0 H GLU A 22 4.168 -2.313 8.645 1.00 0.00 H new ATOM 0 HA GLU A 22 4.546 -4.798 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.012 -2.498 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.699 -2.082 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.410 -3.889 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.764 -4.475 5.013 1.00 0.00 H new ATOM 325 N GLY A 23 7.343 -3.429 8.502 1.00 0.00 N ATOM 326 CA GLY A 23 8.739 -3.653 8.841 1.00 0.00 C ATOM 327 C GLY A 23 8.913 -4.794 9.839 1.00 0.00 C ATOM 328 O GLY A 23 9.699 -5.705 9.594 1.00 0.00 O ATOM 0 H GLY A 23 7.029 -2.484 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.300 -3.877 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.161 -2.739 9.259 1.00 0.00 H new ATOM 332 N VAL A 24 8.187 -4.755 10.963 1.00 0.00 N ATOM 333 CA VAL A 24 8.269 -5.787 11.990 1.00 0.00 C ATOM 334 C VAL A 24 7.875 -7.146 11.407 1.00 0.00 C ATOM 335 O VAL A 24 8.637 -8.106 11.515 1.00 0.00 O ATOM 336 CB VAL A 24 7.403 -5.397 13.203 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.244 -6.562 14.190 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.044 -4.221 13.952 1.00 0.00 C ATOM 0 H VAL A 24 7.529 -4.007 11.181 1.00 0.00 H new ATOM 0 HA VAL A 24 9.298 -5.873 12.340 1.00 0.00 H new ATOM 0 HB VAL A 24 6.421 -5.122 12.818 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.627 -6.245 15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.767 -7.403 13.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.225 -6.866 14.555 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.424 -3.953 14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.037 -4.508 14.299 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.127 -3.365 13.282 1.00 0.00 H new ATOM 348 N ILE A 25 6.687 -7.231 10.797 1.00 0.00 N ATOM 349 CA ILE A 25 6.119 -8.495 10.350 1.00 0.00 C ATOM 350 C ILE A 25 6.952 -9.129 9.231 1.00 0.00 C ATOM 351 O ILE A 25 7.080 -10.350 9.209 1.00 0.00 O ATOM 352 CB ILE A 25 4.627 -8.329 10.012 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.876 -7.964 11.307 1.00 0.00 C ATOM 354 CG2 ILE A 25 4.041 -9.623 9.424 1.00 0.00 C ATOM 355 CD1 ILE A 25 2.392 -7.685 11.076 1.00 0.00 C ATOM 0 H ILE A 25 6.097 -6.422 10.602 1.00 0.00 H new ATOM 0 HA ILE A 25 6.165 -9.212 11.170 1.00 0.00 H new ATOM 0 HB ILE A 25 4.516 -7.543 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.980 -8.779 12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.340 -7.085 11.755 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.986 -9.474 9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.577 -9.883 8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.145 -10.431 10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.917 -7.434 12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.282 -6.851 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.916 -8.571 10.656 1.00 0.00 H new ATOM 367 N SER A 26 7.542 -8.332 8.328 1.00 0.00 N ATOM 368 CA SER A 26 8.418 -8.857 7.282 1.00 0.00 C ATOM 369 C SER A 26 9.559 -9.718 7.847 1.00 0.00 C ATOM 370 O SER A 26 10.007 -10.647 7.179 1.00 0.00 O ATOM 371 CB SER A 26 8.969 -7.723 6.407 1.00 0.00 C ATOM 372 OG SER A 26 9.873 -6.911 7.120 1.00 0.00 O ATOM 0 H SER A 26 7.425 -7.319 8.305 1.00 0.00 H new ATOM 0 HA SER A 26 7.808 -9.511 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.468 -8.145 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.144 -7.113 6.038 1.00 0.00 H new ATOM 0 HG SER A 26 9.482 -6.668 7.985 1.00 0.00 H new ATOM 378 N LYS A 27 10.019 -9.414 9.069 1.00 0.00 N ATOM 379 CA LYS A 27 11.123 -10.107 9.722 1.00 0.00 C ATOM 380 C LYS A 27 10.656 -11.312 10.551 1.00 0.00 C ATOM 381 O LYS A 27 11.498 -12.099 10.981 1.00 0.00 O ATOM 382 CB LYS A 27 11.894 -9.119 10.608 1.00 0.00 C ATOM 383 CG LYS A 27 12.500 -7.974 9.785 1.00 0.00 C ATOM 384 CD LYS A 27 13.400 -7.061 10.629 1.00 0.00 C ATOM 385 CE LYS A 27 12.618 -6.290 11.700 1.00 0.00 C ATOM 386 NZ LYS A 27 13.485 -5.334 12.407 1.00 0.00 N ATOM 0 H LYS A 27 9.622 -8.665 9.636 1.00 0.00 H new ATOM 0 HA LYS A 27 11.775 -10.497 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.225 -8.709 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.687 -9.647 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.079 -8.390 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.698 -7.382 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.172 -7.662 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.908 -6.353 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.788 -5.758 11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.187 -6.991 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.929 -4.827 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.263 -5.847 12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.876 -4.652 11.727 1.00 0.00 H new ATOM 400 N LYS A 28 9.345 -11.475 10.788 1.00 0.00 N ATOM 401 CA LYS A 28 8.830 -12.593 11.574 1.00 0.00 C ATOM 402 C LYS A 28 9.033 -13.907 10.809 1.00 0.00 C ATOM 403 O LYS A 28 8.928 -13.922 9.582 1.00 0.00 O ATOM 404 CB LYS A 28 7.344 -12.383 11.905 1.00 0.00 C ATOM 405 CG LYS A 28 7.098 -11.204 12.857 1.00 0.00 C ATOM 406 CD LYS A 28 7.447 -11.537 14.313 1.00 0.00 C ATOM 407 CE LYS A 28 7.268 -10.320 15.228 1.00 0.00 C ATOM 408 NZ LYS A 28 5.871 -9.852 15.268 1.00 0.00 N ATOM 0 H LYS A 28 8.625 -10.841 10.442 1.00 0.00 H new ATOM 0 HA LYS A 28 9.381 -12.645 12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.792 -12.216 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.946 -13.293 12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.691 -10.350 12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.051 -10.906 12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.813 -12.352 14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.478 -11.887 14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.592 -10.576 16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.911 -9.510 14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.771 -9.118 15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.611 -9.457 14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.244 -10.651 15.492 1.00 0.00 H new ATOM 422 N PRO A 29 9.327 -15.016 11.512 1.00 0.00 N ATOM 423 CA PRO A 29 9.623 -16.295 10.888 1.00 0.00 C ATOM 424 C PRO A 29 8.403 -16.808 10.126 1.00 0.00 C ATOM 425 O PRO A 29 7.289 -16.796 10.648 1.00 0.00 O ATOM 426 CB PRO A 29 10.026 -17.233 12.031 1.00 0.00 C ATOM 427 CG PRO A 29 9.324 -16.633 13.247 1.00 0.00 C ATOM 428 CD PRO A 29 9.380 -15.133 12.960 1.00 0.00 C ATOM 0 HA PRO A 29 10.426 -16.221 10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.701 -18.256 11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.107 -17.261 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.298 -16.990 13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.835 -16.887 14.176 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.544 -14.612 13.427 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.294 -14.691 13.357 1.00 0.00 H new ATOM 436 N GLY A 30 8.626 -17.241 8.881 1.00 0.00 N ATOM 437 CA GLY A 30 7.582 -17.725 7.997 1.00 0.00 C ATOM 438 C GLY A 30 7.165 -16.679 6.971 1.00 0.00 C ATOM 439 O GLY A 30 6.856 -17.044 5.840 1.00 0.00 O ATOM 0 H GLY A 30 9.555 -17.262 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.931 -18.619 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.714 -18.017 8.588 1.00 0.00 H new ATOM 443 N VAL A 31 7.149 -15.393 7.351 1.00 0.00 N ATOM 444 CA VAL A 31 6.708 -14.323 6.467 1.00 0.00 C ATOM 445 C VAL A 31 7.712 -14.142 5.329 1.00 0.00 C ATOM 446 O VAL A 31 8.907 -13.983 5.573 1.00 0.00 O ATOM 447 CB VAL A 31 6.494 -13.017 7.249 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.041 -11.897 6.301 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.426 -13.222 8.330 1.00 0.00 C ATOM 0 H VAL A 31 7.441 -15.075 8.275 1.00 0.00 H new ATOM 0 HA VAL A 31 5.747 -14.596 6.032 1.00 0.00 H new ATOM 0 HB VAL A 31 7.438 -12.736 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.893 -10.978 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.803 -11.735 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.104 -12.182 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.281 -12.292 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.487 -13.518 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.750 -14.003 9.018 1.00 0.00 H new ATOM 459 N LYS A 32 7.207 -14.160 4.090 1.00 0.00 N ATOM 460 CA LYS A 32 7.969 -13.891 2.883 1.00 0.00 C ATOM 461 C LYS A 32 7.795 -12.408 2.543 1.00 0.00 C ATOM 462 O LYS A 32 8.436 -11.567 3.171 1.00 0.00 O ATOM 463 CB LYS A 32 7.507 -14.836 1.763 1.00 0.00 C ATOM 464 CG LYS A 32 7.881 -16.295 2.066 1.00 0.00 C ATOM 465 CD LYS A 32 7.314 -17.271 1.026 1.00 0.00 C ATOM 466 CE LYS A 32 7.888 -17.043 -0.377 1.00 0.00 C ATOM 467 NZ LYS A 32 7.374 -18.040 -1.330 1.00 0.00 N ATOM 0 H LYS A 32 6.226 -14.369 3.903 1.00 0.00 H new ATOM 0 HA LYS A 32 9.034 -14.082 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.427 -14.754 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.960 -14.532 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.966 -16.390 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.509 -16.565 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.527 -18.293 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.229 -17.168 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.630 -16.041 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.976 -17.097 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.779 -17.862 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.642 -18.994 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.338 -17.970 -1.380 1.00 0.00 H new ATOM 481 N SER A 33 6.932 -12.079 1.572 1.00 0.00 N ATOM 482 CA SER A 33 6.598 -10.706 1.222 1.00 0.00 C ATOM 483 C SER A 33 5.399 -10.224 2.042 1.00 0.00 C ATOM 484 O SER A 33 4.594 -11.027 2.512 1.00 0.00 O ATOM 485 CB SER A 33 6.325 -10.599 -0.284 1.00 0.00 C ATOM 486 OG SER A 33 5.227 -11.401 -0.665 1.00 0.00 O ATOM 0 H SER A 33 6.444 -12.773 1.005 1.00 0.00 H new ATOM 0 HA SER A 33 7.444 -10.061 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.127 -9.560 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.212 -10.905 -0.839 1.00 0.00 H new ATOM 0 HG SER A 33 5.507 -12.339 -0.709 1.00 0.00 H new ATOM 492 N ILE A 34 5.287 -8.903 2.214 1.00 0.00 N ATOM 493 CA ILE A 34 4.163 -8.262 2.880 1.00 0.00 C ATOM 494 C ILE A 34 3.953 -6.862 2.307 1.00 0.00 C ATOM 495 O ILE A 34 4.912 -6.179 1.953 1.00 0.00 O ATOM 496 CB ILE A 34 4.361 -8.233 4.412 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.215 -7.440 5.071 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.727 -7.656 4.812 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.190 -7.539 6.594 1.00 0.00 C ATOM 0 H ILE A 34 5.991 -8.242 1.886 1.00 0.00 H new ATOM 0 HA ILE A 34 3.262 -8.846 2.693 1.00 0.00 H new ATOM 0 HB ILE A 34 4.340 -9.262 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.301 -6.391 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.264 -7.800 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.818 -7.657 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.520 -8.267 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.813 -6.635 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.356 -6.955 6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.072 -8.582 6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.125 -7.151 6.999 1.00 0.00 H new ATOM 511 N ARG A 35 2.684 -6.447 2.241 1.00 0.00 N ATOM 512 CA ARG A 35 2.276 -5.080 1.966 1.00 0.00 C ATOM 513 C ARG A 35 1.155 -4.723 2.938 1.00 0.00 C ATOM 514 O ARG A 35 0.319 -5.569 3.255 1.00 0.00 O ATOM 515 CB ARG A 35 1.911 -4.860 0.488 1.00 0.00 C ATOM 516 CG ARG A 35 0.934 -5.864 -0.151 1.00 0.00 C ATOM 517 CD ARG A 35 -0.472 -5.291 -0.377 1.00 0.00 C ATOM 518 NE ARG A 35 -1.191 -5.118 0.887 1.00 0.00 N ATOM 519 CZ ARG A 35 -2.424 -4.618 1.030 1.00 0.00 C ATOM 520 NH1 ARG A 35 -3.133 -4.205 -0.030 1.00 0.00 N ATOM 521 NH2 ARG A 35 -2.947 -4.537 2.257 1.00 0.00 N ATOM 0 H ARG A 35 1.895 -7.077 2.383 1.00 0.00 H new ATOM 0 HA ARG A 35 3.111 -4.399 2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.483 -3.862 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.833 -4.869 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.340 -6.196 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.861 -6.744 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.397 -4.331 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.037 -5.957 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.707 -5.405 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.734 -4.269 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.071 -3.827 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.408 -4.853 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.885 -4.159 2.388 1.00 0.00 H new ATOM 535 N VAL A 36 1.158 -3.476 3.423 1.00 0.00 N ATOM 536 CA VAL A 36 0.156 -2.938 4.331 1.00 0.00 C ATOM 537 C VAL A 36 -0.414 -1.659 3.715 1.00 0.00 C ATOM 538 O VAL A 36 0.318 -0.694 3.508 1.00 0.00 O ATOM 539 CB VAL A 36 0.779 -2.706 5.720 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.266 -2.163 6.704 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.356 -4.013 6.282 1.00 0.00 C ATOM 0 H VAL A 36 1.882 -2.799 3.183 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.665 -3.641 4.473 1.00 0.00 H new ATOM 0 HB VAL A 36 1.579 -1.975 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.198 -2.007 7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.658 -1.216 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.081 -2.880 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.791 -3.826 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.561 -4.753 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.127 -4.389 5.609 1.00 0.00 H new ATOM 551 N SER A 37 -1.720 -1.666 3.418 1.00 0.00 N ATOM 552 CA SER A 37 -2.448 -0.543 2.845 1.00 0.00 C ATOM 553 C SER A 37 -3.305 0.122 3.921 1.00 0.00 C ATOM 554 O SER A 37 -4.141 -0.532 4.541 1.00 0.00 O ATOM 555 CB SER A 37 -3.328 -1.032 1.689 1.00 0.00 C ATOM 556 OG SER A 37 -4.126 0.026 1.197 1.00 0.00 O ATOM 0 H SER A 37 -2.311 -2.482 3.578 1.00 0.00 H new ATOM 0 HA SER A 37 -1.738 0.189 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.702 -1.427 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.965 -1.849 2.028 1.00 0.00 H new ATOM 0 HG SER A 37 -4.783 -0.328 0.562 1.00 0.00 H new ATOM 562 N LEU A 38 -3.103 1.430 4.116 1.00 0.00 N ATOM 563 CA LEU A 38 -3.920 2.263 4.989 1.00 0.00 C ATOM 564 C LEU A 38 -5.275 2.535 4.338 1.00 0.00 C ATOM 565 O LEU A 38 -6.304 2.445 5.006 1.00 0.00 O ATOM 566 CB LEU A 38 -3.168 3.568 5.283 1.00 0.00 C ATOM 567 CG LEU A 38 -3.926 4.553 6.188 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.225 3.955 7.567 1.00 0.00 C ATOM 569 CD2 LEU A 38 -3.072 5.813 6.368 1.00 0.00 C ATOM 0 H LEU A 38 -2.350 1.944 3.659 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.105 1.747 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.214 3.325 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.942 4.063 4.338 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.878 4.785 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.761 4.686 8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.837 3.061 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.289 3.692 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.598 6.521 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.121 5.545 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.889 6.270 5.396 1.00 0.00 H new ATOM 581 N ALA A 39 -5.268 2.859 3.038 1.00 0.00 N ATOM 582 CA ALA A 39 -6.460 3.152 2.252 1.00 0.00 C ATOM 583 C ALA A 39 -7.475 2.011 2.331 1.00 0.00 C ATOM 584 O ALA A 39 -8.661 2.256 2.543 1.00 0.00 O ATOM 585 CB ALA A 39 -6.056 3.419 0.799 1.00 0.00 C ATOM 0 H ALA A 39 -4.407 2.925 2.495 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.940 4.040 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.946 3.638 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.376 4.270 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.558 2.539 0.392 1.00 0.00 H new ATOM 591 N ASN A 40 -7.003 0.768 2.176 1.00 0.00 N ATOM 592 CA ASN A 40 -7.831 -0.428 2.276 1.00 0.00 C ATOM 593 C ASN A 40 -7.890 -0.956 3.718 1.00 0.00 C ATOM 594 O ASN A 40 -8.666 -1.868 3.994 1.00 0.00 O ATOM 595 CB ASN A 40 -7.287 -1.498 1.322 1.00 0.00 C ATOM 596 CG ASN A 40 -7.262 -1.018 -0.126 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.194 -0.740 -0.669 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.433 -0.917 -0.756 1.00 0.00 N ATOM 0 H ASN A 40 -6.023 0.568 1.975 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.851 -0.173 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.279 -1.777 1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.902 -2.395 1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.465 -0.599 -1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.296 -1.158 -0.269 1.00 0.00 H new ATOM 605 N SER A 41 -7.089 -0.385 4.629 1.00 0.00 N ATOM 606 CA SER A 41 -7.063 -0.687 6.055 1.00 0.00 C ATOM 607 C SER A 41 -6.855 -2.180 6.307 1.00 0.00 C ATOM 608 O SER A 41 -7.639 -2.815 7.011 1.00 0.00 O ATOM 609 CB SER A 41 -8.323 -0.139 6.738 1.00 0.00 C ATOM 610 OG SER A 41 -8.516 1.218 6.392 1.00 0.00 O ATOM 0 H SER A 41 -6.412 0.333 4.372 1.00 0.00 H new ATOM 0 HA SER A 41 -6.206 -0.184 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.192 -0.725 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.230 -0.236 7.820 1.00 0.00 H new ATOM 0 HG SER A 41 -7.697 1.572 5.986 1.00 0.00 H new ATOM 616 N ASN A 42 -5.792 -2.737 5.717 1.00 0.00 N ATOM 617 CA ASN A 42 -5.505 -4.162 5.774 1.00 0.00 C ATOM 618 C ASN A 42 -4.038 -4.442 5.461 1.00 0.00 C ATOM 619 O ASN A 42 -3.313 -3.571 4.981 1.00 0.00 O ATOM 620 CB ASN A 42 -6.459 -4.945 4.850 1.00 0.00 C ATOM 621 CG ASN A 42 -6.285 -4.640 3.363 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.611 -3.689 2.982 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.900 -5.459 2.509 1.00 0.00 N ATOM 0 H ASN A 42 -5.106 -2.202 5.184 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.680 -4.510 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.307 -6.012 5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.487 -4.723 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.817 -5.304 1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.453 -6.241 2.861 1.00 0.00 H new ATOM 630 N GLY A 43 -3.621 -5.679 5.747 1.00 0.00 N ATOM 631 CA GLY A 43 -2.296 -6.209 5.499 1.00 0.00 C ATOM 632 C GLY A 43 -2.430 -7.512 4.723 1.00 0.00 C ATOM 633 O GLY A 43 -3.078 -8.442 5.203 1.00 0.00 O ATOM 0 H GLY A 43 -4.238 -6.366 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.702 -5.492 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.775 -6.382 6.441 1.00 0.00 H new ATOM 637 N THR A 44 -1.813 -7.575 3.536 1.00 0.00 N ATOM 638 CA THR A 44 -1.715 -8.785 2.734 1.00 0.00 C ATOM 639 C THR A 44 -0.327 -9.362 2.981 1.00 0.00 C ATOM 640 O THR A 44 0.671 -8.744 2.612 1.00 0.00 O ATOM 641 CB THR A 44 -1.953 -8.474 1.250 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.235 -7.904 1.087 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.854 -9.742 0.393 1.00 0.00 C ATOM 0 H THR A 44 -1.362 -6.768 3.105 1.00 0.00 H new ATOM 0 HA THR A 44 -2.478 -9.511 3.015 1.00 0.00 H new ATOM 0 HB THR A 44 -1.184 -7.774 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.386 -7.704 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.027 -9.489 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.861 -10.178 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.604 -10.462 0.721 1.00 0.00 H new ATOM 651 N VAL A 45 -0.282 -10.531 3.630 1.00 0.00 N ATOM 652 CA VAL A 45 0.935 -11.170 4.099 1.00 0.00 C ATOM 653 C VAL A 45 1.089 -12.512 3.389 1.00 0.00 C ATOM 654 O VAL A 45 0.206 -13.363 3.495 1.00 0.00 O ATOM 655 CB VAL A 45 0.867 -11.368 5.627 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.250 -11.761 6.159 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.382 -10.108 6.358 1.00 0.00 C ATOM 0 H VAL A 45 -1.122 -11.068 3.846 1.00 0.00 H new ATOM 0 HA VAL A 45 1.798 -10.543 3.875 1.00 0.00 H new ATOM 0 HB VAL A 45 0.145 -12.162 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.198 -11.900 7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.570 -12.691 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.966 -10.972 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.352 -10.299 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.066 -9.284 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.616 -9.846 6.008 1.00 0.00 H new ATOM 667 N GLU A 46 2.211 -12.705 2.686 1.00 0.00 N ATOM 668 CA GLU A 46 2.612 -13.991 2.134 1.00 0.00 C ATOM 669 C GLU A 46 3.448 -14.689 3.205 1.00 0.00 C ATOM 670 O GLU A 46 4.327 -14.061 3.794 1.00 0.00 O ATOM 671 CB GLU A 46 3.416 -13.778 0.848 1.00 0.00 C ATOM 672 CG GLU A 46 3.732 -15.113 0.162 1.00 0.00 C ATOM 673 CD GLU A 46 4.611 -14.925 -1.072 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.622 -14.200 -0.949 1.00 0.00 O ATOM 675 OE2 GLU A 46 4.261 -15.516 -2.117 1.00 0.00 O ATOM 0 H GLU A 46 2.873 -11.955 2.485 1.00 0.00 H new ATOM 0 HA GLU A 46 1.749 -14.604 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.853 -13.140 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.345 -13.256 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.234 -15.774 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.802 -15.602 -0.126 1.00 0.00 H new ATOM 682 N TYR A 47 3.162 -15.966 3.479 1.00 0.00 N ATOM 683 CA TYR A 47 3.735 -16.679 4.610 1.00 0.00 C ATOM 684 C TYR A 47 3.870 -18.177 4.337 1.00 0.00 C ATOM 685 O TYR A 47 3.311 -18.691 3.371 1.00 0.00 O ATOM 686 CB TYR A 47 2.873 -16.429 5.856 1.00 0.00 C ATOM 687 CG TYR A 47 1.527 -17.133 5.832 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.499 -16.662 4.995 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.342 -18.326 6.557 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.696 -17.389 4.867 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.138 -19.041 6.441 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.878 -18.579 5.589 1.00 0.00 C ATOM 693 OH TYR A 47 -2.035 -19.290 5.460 1.00 0.00 O ATOM 0 H TYR A 47 2.524 -16.530 2.917 1.00 0.00 H new ATOM 0 HA TYR A 47 4.743 -16.299 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.425 -16.754 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.708 -15.357 5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.629 -15.739 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.126 -18.692 7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.477 -17.032 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.006 -19.948 7.009 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.994 -20.087 6.029 1.00 0.00 H new ATOM 703 N ASP A 48 4.605 -18.866 5.219 1.00 0.00 N ATOM 704 CA ASP A 48 4.754 -20.314 5.237 1.00 0.00 C ATOM 705 C ASP A 48 3.897 -20.892 6.373 1.00 0.00 C ATOM 706 O ASP A 48 4.243 -20.683 7.535 1.00 0.00 O ATOM 707 CB ASP A 48 6.236 -20.666 5.433 1.00 0.00 C ATOM 708 CG ASP A 48 6.518 -22.170 5.512 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.578 -22.966 5.298 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.691 -22.501 5.790 1.00 0.00 O ATOM 0 H ASP A 48 5.129 -18.407 5.964 1.00 0.00 H new ATOM 0 HA ASP A 48 4.418 -20.744 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.811 -20.243 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.593 -20.192 6.347 1.00 0.00 H new ATOM 715 N PRO A 49 2.814 -21.630 6.060 1.00 0.00 N ATOM 716 CA PRO A 49 2.000 -22.385 7.010 1.00 0.00 C ATOM 717 C PRO A 49 2.784 -23.147 8.084 1.00 0.00 C ATOM 718 O PRO A 49 2.343 -23.212 9.229 1.00 0.00 O ATOM 719 CB PRO A 49 1.172 -23.346 6.158 1.00 0.00 C ATOM 720 CG PRO A 49 0.948 -22.538 4.884 1.00 0.00 C ATOM 721 CD PRO A 49 2.270 -21.791 4.721 1.00 0.00 C ATOM 0 HA PRO A 49 1.397 -21.687 7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.704 -24.277 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.232 -23.612 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.738 -23.181 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.106 -21.853 4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.957 -22.350 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.114 -20.823 4.245 1.00 0.00 H new ATOM 729 N LEU A 50 3.931 -23.729 7.717 1.00 0.00 N ATOM 730 CA LEU A 50 4.749 -24.523 8.626 1.00 0.00 C ATOM 731 C LEU A 50 5.308 -23.680 9.779 1.00 0.00 C ATOM 732 O LEU A 50 5.463 -24.195 10.885 1.00 0.00 O ATOM 733 CB LEU A 50 5.900 -25.186 7.856 1.00 0.00 C ATOM 734 CG LEU A 50 5.458 -26.067 6.674 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.703 -26.580 5.942 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.609 -27.260 7.131 1.00 0.00 C ATOM 0 H LEU A 50 4.316 -23.659 6.775 1.00 0.00 H new ATOM 0 HA LEU A 50 4.108 -25.291 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.566 -24.408 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.480 -25.795 8.549 1.00 0.00 H new ATOM 0 HG LEU A 50 4.843 -25.459 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.400 -27.206 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.283 -25.734 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.313 -27.166 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.320 -27.854 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.189 -27.878 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.714 -26.897 7.637 1.00 0.00 H new ATOM 748 N LEU A 51 5.622 -22.404 9.518 1.00 0.00 N ATOM 749 CA LEU A 51 6.323 -21.524 10.447 1.00 0.00 C ATOM 750 C LEU A 51 5.382 -20.517 11.118 1.00 0.00 C ATOM 751 O LEU A 51 5.604 -20.171 12.278 1.00 0.00 O ATOM 752 CB LEU A 51 7.461 -20.816 9.700 1.00 0.00 C ATOM 753 CG LEU A 51 8.563 -21.774 9.210 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.544 -21.009 8.314 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.343 -22.401 10.372 1.00 0.00 C ATOM 0 H LEU A 51 5.388 -21.950 8.635 1.00 0.00 H new ATOM 0 HA LEU A 51 6.737 -22.130 11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.047 -20.283 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.906 -20.068 10.356 1.00 0.00 H new ATOM 0 HG LEU A 51 8.075 -22.576 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.324 -21.687 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.010 -20.600 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.996 -20.195 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.109 -23.069 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.815 -21.614 10.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.660 -22.967 11.006 1.00 0.00 H new ATOM 767 N THR A 52 4.342 -20.047 10.417 1.00 0.00 N ATOM 768 CA THR A 52 3.339 -19.141 10.970 1.00 0.00 C ATOM 769 C THR A 52 1.986 -19.394 10.300 1.00 0.00 C ATOM 770 O THR A 52 1.890 -20.220 9.397 1.00 0.00 O ATOM 771 CB THR A 52 3.814 -17.682 10.853 1.00 0.00 C ATOM 772 OG1 THR A 52 2.989 -16.835 11.627 1.00 0.00 O ATOM 773 CG2 THR A 52 3.823 -17.185 9.405 1.00 0.00 C ATOM 0 H THR A 52 4.176 -20.290 9.440 1.00 0.00 H new ATOM 0 HA THR A 52 3.206 -19.335 12.034 1.00 0.00 H new ATOM 0 HB THR A 52 4.838 -17.654 11.225 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.302 -15.910 11.546 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.166 -16.151 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.494 -17.806 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.815 -17.244 8.994 1.00 0.00 H new ATOM 781 N SER A 53 0.938 -18.694 10.751 1.00 0.00 N ATOM 782 CA SER A 53 -0.432 -18.900 10.299 1.00 0.00 C ATOM 783 C SER A 53 -1.224 -17.588 10.383 1.00 0.00 C ATOM 784 O SER A 53 -0.784 -16.666 11.068 1.00 0.00 O ATOM 785 CB SER A 53 -1.070 -19.998 11.157 1.00 0.00 C ATOM 786 OG SER A 53 -1.164 -19.558 12.493 1.00 0.00 O ATOM 0 H SER A 53 1.026 -17.958 11.452 1.00 0.00 H new ATOM 0 HA SER A 53 -0.441 -19.216 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.060 -20.244 10.774 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.473 -20.908 11.104 1.00 0.00 H new ATOM 0 HG SER A 53 -1.103 -20.328 13.096 1.00 0.00 H new ATOM 792 N PRO A 54 -2.387 -17.479 9.710 1.00 0.00 N ATOM 793 CA PRO A 54 -3.210 -16.275 9.719 1.00 0.00 C ATOM 794 C PRO A 54 -3.551 -15.795 11.131 1.00 0.00 C ATOM 795 O PRO A 54 -3.420 -14.608 11.419 1.00 0.00 O ATOM 796 CB PRO A 54 -4.469 -16.619 8.917 1.00 0.00 C ATOM 797 CG PRO A 54 -3.977 -17.706 7.966 1.00 0.00 C ATOM 798 CD PRO A 54 -2.989 -18.477 8.838 1.00 0.00 C ATOM 0 HA PRO A 54 -2.666 -15.442 9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.273 -16.978 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.854 -15.754 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.792 -18.340 7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.498 -17.286 7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.495 -19.251 9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.234 -18.975 8.230 1.00 0.00 H new ATOM 806 N GLU A 55 -3.984 -16.710 12.006 1.00 0.00 N ATOM 807 CA GLU A 55 -4.356 -16.392 13.376 1.00 0.00 C ATOM 808 C GLU A 55 -3.156 -15.917 14.205 1.00 0.00 C ATOM 809 O GLU A 55 -3.314 -15.034 15.045 1.00 0.00 O ATOM 810 CB GLU A 55 -5.123 -17.550 14.041 1.00 0.00 C ATOM 811 CG GLU A 55 -4.351 -18.867 14.246 1.00 0.00 C ATOM 812 CD GLU A 55 -4.240 -19.762 13.009 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.793 -19.391 11.951 1.00 0.00 O ATOM 814 OE2 GLU A 55 -3.593 -20.822 13.150 1.00 0.00 O ATOM 0 H GLU A 55 -4.084 -17.698 11.774 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.045 -15.548 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.477 -17.209 15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.005 -17.764 13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.345 -18.629 14.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.837 -19.433 15.041 1.00 0.00 H new ATOM 821 N THR A 56 -1.963 -16.479 13.970 1.00 0.00 N ATOM 822 CA THR A 56 -0.743 -16.051 14.644 1.00 0.00 C ATOM 823 C THR A 56 -0.365 -14.634 14.208 1.00 0.00 C ATOM 824 O THR A 56 -0.051 -13.797 15.051 1.00 0.00 O ATOM 825 CB THR A 56 0.385 -17.058 14.375 1.00 0.00 C ATOM 826 OG1 THR A 56 -0.003 -18.326 14.861 1.00 0.00 O ATOM 827 CG2 THR A 56 1.695 -16.656 15.060 1.00 0.00 C ATOM 0 H THR A 56 -1.823 -17.242 13.307 1.00 0.00 H new ATOM 0 HA THR A 56 -0.912 -16.024 15.720 1.00 0.00 H new ATOM 0 HB THR A 56 0.557 -17.081 13.299 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.402 -18.847 14.133 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.463 -17.398 14.841 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.015 -15.682 14.690 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.540 -16.601 16.138 1.00 0.00 H new ATOM 835 N LEU A 57 -0.407 -14.362 12.897 1.00 0.00 N ATOM 836 CA LEU A 57 -0.126 -13.045 12.338 1.00 0.00 C ATOM 837 C LEU A 57 -1.116 -12.010 12.884 1.00 0.00 C ATOM 838 O LEU A 57 -0.703 -10.939 13.325 1.00 0.00 O ATOM 839 CB LEU A 57 -0.167 -13.110 10.805 1.00 0.00 C ATOM 840 CG LEU A 57 0.957 -13.974 10.205 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.628 -14.300 8.743 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.317 -13.267 10.276 1.00 0.00 C ATOM 0 H LEU A 57 -0.640 -15.062 12.192 1.00 0.00 H new ATOM 0 HA LEU A 57 0.874 -12.732 12.638 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.131 -13.510 10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.094 -12.100 10.403 1.00 0.00 H new ATOM 0 HG LEU A 57 1.023 -14.891 10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.424 -14.912 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.314 -14.846 8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.540 -13.374 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.084 -13.909 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.270 -12.331 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.564 -13.058 11.317 1.00 0.00 H new ATOM 854 N ARG A 58 -2.413 -12.340 12.877 1.00 0.00 N ATOM 855 CA ARG A 58 -3.468 -11.524 13.466 1.00 0.00 C ATOM 856 C ARG A 58 -3.146 -11.229 14.935 1.00 0.00 C ATOM 857 O ARG A 58 -3.244 -10.084 15.371 1.00 0.00 O ATOM 858 CB ARG A 58 -4.811 -12.253 13.327 1.00 0.00 C ATOM 859 CG ARG A 58 -5.998 -11.328 13.639 1.00 0.00 C ATOM 860 CD ARG A 58 -7.129 -12.082 14.343 1.00 0.00 C ATOM 861 NE ARG A 58 -6.703 -12.562 15.665 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.549 -11.790 16.756 1.00 0.00 C ATOM 863 NH1 ARG A 58 -6.865 -10.487 16.735 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.072 -12.332 17.883 1.00 0.00 N ATOM 0 H ARG A 58 -2.760 -13.200 12.452 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.534 -10.571 12.941 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.910 -12.642 12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.831 -13.110 14.001 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.662 -10.504 14.268 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.372 -10.890 12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.994 -11.428 14.452 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.444 -12.927 13.730 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.509 -13.559 15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.229 -10.064 15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.741 -9.919 17.573 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.829 -13.322 17.910 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.952 -11.755 18.715 1.00 0.00 H new ATOM 878 N GLY A 59 -2.746 -12.263 15.684 1.00 0.00 N ATOM 879 CA GLY A 59 -2.328 -12.161 17.072 1.00 0.00 C ATOM 880 C GLY A 59 -1.163 -11.190 17.257 1.00 0.00 C ATOM 881 O GLY A 59 -1.184 -10.391 18.190 1.00 0.00 O ATOM 0 H GLY A 59 -2.706 -13.217 15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.171 -11.833 17.680 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.038 -13.147 17.435 1.00 0.00 H new ATOM 885 N ALA A 60 -0.152 -11.250 16.382 1.00 0.00 N ATOM 886 CA ALA A 60 1.013 -10.374 16.435 1.00 0.00 C ATOM 887 C ALA A 60 0.613 -8.911 16.221 1.00 0.00 C ATOM 888 O ALA A 60 1.051 -8.036 16.965 1.00 0.00 O ATOM 889 CB ALA A 60 2.052 -10.821 15.404 1.00 0.00 C ATOM 0 H ALA A 60 -0.124 -11.917 15.611 1.00 0.00 H new ATOM 0 HA ALA A 60 1.458 -10.447 17.427 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.918 -10.161 15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.362 -11.843 15.620 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.616 -10.777 14.406 1.00 0.00 H new ATOM 895 N ILE A 61 -0.225 -8.650 15.212 1.00 0.00 N ATOM 896 CA ILE A 61 -0.749 -7.319 14.927 1.00 0.00 C ATOM 897 C ILE A 61 -1.537 -6.804 16.140 1.00 0.00 C ATOM 898 O ILE A 61 -1.363 -5.659 16.558 1.00 0.00 O ATOM 899 CB ILE A 61 -1.601 -7.358 13.644 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.768 -7.760 12.414 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.213 -5.977 13.374 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.626 -8.361 11.296 1.00 0.00 C ATOM 0 H ILE A 61 -0.559 -9.366 14.567 1.00 0.00 H new ATOM 0 HA ILE A 61 0.070 -6.621 14.750 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.381 -8.103 13.804 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.242 -6.884 12.033 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.009 -8.483 12.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.813 -6.016 12.465 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.845 -5.689 14.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.416 -5.244 13.251 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.990 -8.627 10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.132 -9.253 11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.368 -7.630 10.974 1.00 0.00 H new ATOM 914 N GLU A 62 -2.395 -7.658 16.710 1.00 0.00 N ATOM 915 CA GLU A 62 -3.195 -7.336 17.881 1.00 0.00 C ATOM 916 C GLU A 62 -2.304 -7.011 19.083 1.00 0.00 C ATOM 917 O GLU A 62 -2.588 -6.071 19.822 1.00 0.00 O ATOM 918 CB GLU A 62 -4.158 -8.496 18.175 1.00 0.00 C ATOM 919 CG GLU A 62 -5.313 -8.076 19.092 1.00 0.00 C ATOM 920 CD GLU A 62 -6.228 -7.048 18.428 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.815 -7.395 17.379 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.327 -5.930 18.980 1.00 0.00 O ATOM 0 H GLU A 62 -2.550 -8.604 16.360 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.786 -6.442 17.681 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.562 -8.876 17.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.607 -9.314 18.640 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.895 -8.955 19.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.910 -7.659 20.015 1.00 0.00 H new ATOM 929 N ASP A 63 -1.226 -7.784 19.269 1.00 0.00 N ATOM 930 CA ASP A 63 -0.262 -7.609 20.345 1.00 0.00 C ATOM 931 C ASP A 63 0.448 -6.258 20.232 1.00 0.00 C ATOM 932 O ASP A 63 0.595 -5.566 21.239 1.00 0.00 O ATOM 933 CB ASP A 63 0.737 -8.773 20.342 1.00 0.00 C ATOM 934 CG ASP A 63 1.749 -8.648 21.476 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.378 -9.013 22.613 1.00 0.00 O ATOM 936 OD2 ASP A 63 2.875 -8.188 21.188 1.00 0.00 O ATOM 0 H ASP A 63 -1.001 -8.567 18.655 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.791 -7.613 21.298 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.198 -9.716 20.437 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.262 -8.800 19.387 1.00 0.00 H new ATOM 941 N MET A 64 0.875 -5.876 19.020 1.00 0.00 N ATOM 942 CA MET A 64 1.444 -4.556 18.769 1.00 0.00 C ATOM 943 C MET A 64 0.449 -3.458 19.156 1.00 0.00 C ATOM 944 O MET A 64 0.843 -2.483 19.795 1.00 0.00 O ATOM 945 CB MET A 64 1.886 -4.412 17.308 1.00 0.00 C ATOM 946 CG MET A 64 3.173 -5.194 17.023 1.00 0.00 C ATOM 947 SD MET A 64 3.943 -4.842 15.419 1.00 0.00 S ATOM 948 CE MET A 64 2.651 -5.437 14.306 1.00 0.00 C ATOM 0 H MET A 64 0.834 -6.474 18.194 1.00 0.00 H new ATOM 0 HA MET A 64 2.331 -4.445 19.393 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.092 -4.767 16.651 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.042 -3.358 17.078 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.894 -4.977 17.811 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.952 -6.260 17.077 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.021 -5.426 13.281 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.374 -6.455 14.581 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.777 -4.790 14.384 1.00 0.00 H new ATOM 958 N GLY A 65 -0.828 -3.629 18.791 1.00 0.00 N ATOM 959 CA GLY A 65 -1.919 -2.789 19.264 1.00 0.00 C ATOM 960 C GLY A 65 -2.684 -2.159 18.109 1.00 0.00 C ATOM 961 O GLY A 65 -2.740 -0.934 18.002 1.00 0.00 O ATOM 0 H GLY A 65 -1.129 -4.365 18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.601 -3.385 19.870 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.522 -2.005 19.909 1.00 0.00 H new ATOM 965 N PHE A 66 -3.286 -3.000 17.262 1.00 0.00 N ATOM 966 CA PHE A 66 -4.178 -2.583 16.189 1.00 0.00 C ATOM 967 C PHE A 66 -5.336 -3.572 16.123 1.00 0.00 C ATOM 968 O PHE A 66 -5.146 -4.753 16.408 1.00 0.00 O ATOM 969 CB PHE A 66 -3.425 -2.540 14.853 1.00 0.00 C ATOM 970 CG PHE A 66 -2.123 -1.768 14.890 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.150 -0.364 14.912 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.897 -2.447 15.040 1.00 0.00 C ATOM 973 CE1 PHE A 66 -0.960 0.361 15.084 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.296 -1.721 15.177 1.00 0.00 C ATOM 975 CZ PHE A 66 0.267 -0.318 15.198 1.00 0.00 C ATOM 0 H PHE A 66 -3.160 -4.011 17.309 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.558 -1.580 16.385 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.218 -3.562 14.534 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.075 -2.096 14.099 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.088 0.159 14.796 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.876 -3.527 15.050 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.986 1.440 15.129 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.238 -2.242 15.266 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.186 0.240 15.302 1.00 0.00 H new ATOM 985 N ASP A 67 -6.531 -3.100 15.750 1.00 0.00 N ATOM 986 CA ASP A 67 -7.714 -3.940 15.644 1.00 0.00 C ATOM 987 C ASP A 67 -7.549 -4.877 14.448 1.00 0.00 C ATOM 988 O ASP A 67 -7.824 -4.489 13.313 1.00 0.00 O ATOM 989 CB ASP A 67 -8.963 -3.059 15.526 1.00 0.00 C ATOM 990 CG ASP A 67 -10.219 -3.884 15.252 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.523 -4.755 16.095 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.849 -3.632 14.202 1.00 0.00 O ATOM 0 H ASP A 67 -6.698 -2.122 15.514 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.835 -4.552 16.538 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.095 -2.492 16.447 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.822 -2.335 14.723 1.00 0.00 H new ATOM 997 N ALA A 68 -7.082 -6.101 14.721 1.00 0.00 N ATOM 998 CA ALA A 68 -6.724 -7.097 13.727 1.00 0.00 C ATOM 999 C ALA A 68 -7.804 -8.173 13.656 1.00 0.00 C ATOM 1000 O ALA A 68 -8.109 -8.800 14.669 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.380 -7.713 14.108 1.00 0.00 C ATOM 0 H ALA A 68 -6.941 -6.428 15.677 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.642 -6.630 12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.101 -8.463 13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.619 -6.934 14.140 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.460 -8.183 15.088 1.00 0.00 H new ATOM 1007 N THR A 69 -8.371 -8.391 12.464 1.00 0.00 N ATOM 1008 CA THR A 69 -9.359 -9.433 12.203 1.00 0.00 C ATOM 1009 C THR A 69 -9.098 -10.013 10.814 1.00 0.00 C ATOM 1010 O THR A 69 -8.720 -9.282 9.904 1.00 0.00 O ATOM 1011 CB THR A 69 -10.786 -8.870 12.313 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.952 -7.759 11.458 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.139 -8.453 13.743 1.00 0.00 C ATOM 0 H THR A 69 -8.148 -7.834 11.639 1.00 0.00 H new ATOM 0 HA THR A 69 -9.269 -10.224 12.947 1.00 0.00 H new ATOM 0 HB THR A 69 -11.458 -9.674 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.866 -7.416 11.541 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.156 -8.062 13.767 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.066 -9.318 14.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.446 -7.682 14.079 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.283 -11.328 10.647 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.994 -12.013 9.392 1.00 0.00 C ATOM 1023 C LEU A 70 -9.915 -11.519 8.274 1.00 0.00 C ATOM 1024 O LEU A 70 -11.091 -11.247 8.511 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.140 -13.532 9.560 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.245 -14.143 10.651 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.476 -15.658 10.702 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.759 -13.874 10.393 1.00 0.00 C ATOM 0 H LEU A 70 -9.637 -11.942 11.380 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.964 -11.786 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.180 -13.761 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.912 -14.013 8.609 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.511 -13.677 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.844 -16.097 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.522 -15.859 10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.226 -16.097 9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.164 -14.324 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.472 -14.308 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.582 -12.799 10.372 1.00 0.00 H new