USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=19 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 180:sc= 0.996 USER MOD Set 1.2: A 56 THR OG1 : rot 88:sc= 1.15 USER MOD Set 2.1: A 37 SER OG : rot 100:sc= 0.894 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.7 X(o=1.6,f=1.3) USER MOD Single : A 3 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.087) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00918 X(o=-0.0092,f=0) USER MOD Single : A 12 MET CE :methyl -179:sc= -0.169 (180deg=-0.173) USER MOD Single : A 16 SER OG : rot 33:sc= 0.172 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.00597 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -22:sc= 0.706 USER MOD Single : A 26 SER OG : rot 71:sc= 0.979 USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.0588 (180deg=-0.866) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.0607 (180deg=-0.112) USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= -0.239 (180deg=-0.946) USER MOD Single : A 33 SER OG : rot 147:sc= 0.0421 USER MOD Single : A 41 SER OG : rot 9:sc= 0.58 USER MOD Single : A 42 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.1) 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= 0.0674 USER MOD Single : A 64 MET CE :methyl 168:sc= 0 (180deg=-0.23) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.567 -19.746 1.178 1.00 0.00 N ATOM 37 CA GLN A 3 0.198 -19.266 1.036 1.00 0.00 C ATOM 38 C GLN A 3 0.167 -17.753 1.259 1.00 0.00 C ATOM 39 O GLN A 3 1.142 -17.174 1.732 1.00 0.00 O ATOM 40 CB GLN A 3 -0.699 -19.976 2.060 1.00 0.00 C ATOM 41 CG GLN A 3 -0.811 -21.488 1.819 1.00 0.00 C ATOM 42 CD GLN A 3 -1.427 -21.838 0.466 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.819 -22.547 -0.331 1.00 0.00 O ATOM 44 NE2 GLN A 3 -2.638 -21.346 0.201 1.00 0.00 N ATOM 0 HA GLN A 3 -0.171 -19.483 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.305 -19.802 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.695 -19.535 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.181 -21.934 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.414 -21.932 2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.112 -20.760 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.090 -21.555 -0.689 1.00 0.00 H new ATOM 53 N GLU A 4 -0.966 -17.123 0.921 1.00 0.00 N ATOM 54 CA GLU A 4 -1.223 -15.709 1.153 1.00 0.00 C ATOM 55 C GLU A 4 -2.508 -15.567 1.966 1.00 0.00 C ATOM 56 O GLU A 4 -3.443 -16.346 1.785 1.00 0.00 O ATOM 57 CB GLU A 4 -1.309 -14.965 -0.188 1.00 0.00 C ATOM 58 CG GLU A 4 -1.412 -13.445 0.007 1.00 0.00 C ATOM 59 CD GLU A 4 -1.407 -12.708 -1.327 1.00 0.00 C ATOM 60 OE1 GLU A 4 -2.511 -12.544 -1.891 1.00 0.00 O ATOM 61 OE2 GLU A 4 -0.301 -12.320 -1.762 1.00 0.00 O ATOM 0 H GLU A 4 -1.744 -17.601 0.468 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.406 -15.263 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.429 -15.195 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.176 -15.319 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.326 -13.208 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.579 -13.098 0.618 1.00 0.00 H new ATOM 68 N THR A 5 -2.543 -14.576 2.866 1.00 0.00 N ATOM 69 CA THR A 5 -3.698 -14.258 3.692 1.00 0.00 C ATOM 70 C THR A 5 -3.876 -12.742 3.750 1.00 0.00 C ATOM 71 O THR A 5 -2.894 -12.001 3.725 1.00 0.00 O ATOM 72 CB THR A 5 -3.544 -14.877 5.091 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.719 -14.660 5.845 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.348 -14.316 5.871 1.00 0.00 C ATOM 0 H THR A 5 -1.746 -13.963 3.038 1.00 0.00 H new ATOM 0 HA THR A 5 -4.598 -14.688 3.252 1.00 0.00 H new ATOM 0 HB THR A 5 -3.368 -15.942 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.482 -14.289 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.295 -14.794 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.429 -14.515 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.469 -13.240 5.999 1.00 0.00 H new ATOM 82 N VAL A 6 -5.136 -12.298 3.832 1.00 0.00 N ATOM 83 CA VAL A 6 -5.508 -10.903 3.999 1.00 0.00 C ATOM 84 C VAL A 6 -6.118 -10.757 5.391 1.00 0.00 C ATOM 85 O VAL A 6 -7.053 -11.477 5.741 1.00 0.00 O ATOM 86 CB VAL A 6 -6.475 -10.464 2.885 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.819 -8.974 3.031 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.851 -10.687 1.501 1.00 0.00 C ATOM 0 H VAL A 6 -5.941 -12.923 3.782 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.639 -10.251 3.917 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.379 -11.065 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.504 -8.679 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.291 -8.803 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.907 -8.382 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.553 -10.369 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.933 -10.105 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.623 -11.745 1.371 1.00 0.00 H new ATOM 98 N ILE A 7 -5.572 -9.829 6.181 1.00 0.00 N ATOM 99 CA ILE A 7 -5.999 -9.531 7.537 1.00 0.00 C ATOM 100 C ILE A 7 -6.417 -8.063 7.539 1.00 0.00 C ATOM 101 O ILE A 7 -5.600 -7.209 7.212 1.00 0.00 O ATOM 102 CB ILE A 7 -4.833 -9.805 8.513 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.359 -11.267 8.384 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.245 -9.502 9.963 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.187 -11.609 9.306 1.00 0.00 C ATOM 0 H ILE A 7 -4.792 -9.247 5.876 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.833 -10.154 7.860 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.008 -9.143 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.193 -11.933 8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.067 -11.457 7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.406 -9.703 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.533 -8.454 10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.089 -10.134 10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.905 -12.652 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.338 -10.968 9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.482 -11.451 10.343 1.00 0.00 H new ATOM 117 N ASN A 8 -7.669 -7.755 7.891 1.00 0.00 N ATOM 118 CA ASN A 8 -8.121 -6.376 8.042 1.00 0.00 C ATOM 119 C ASN A 8 -7.500 -5.808 9.314 1.00 0.00 C ATOM 120 O ASN A 8 -7.546 -6.466 10.350 1.00 0.00 O ATOM 121 CB ASN A 8 -9.651 -6.302 8.130 1.00 0.00 C ATOM 122 CG ASN A 8 -10.358 -6.980 6.959 1.00 0.00 C ATOM 123 OD1 ASN A 8 -11.242 -7.803 7.170 1.00 0.00 O ATOM 124 ND2 ASN A 8 -9.979 -6.644 5.725 1.00 0.00 N ATOM 0 H ASN A 8 -8.390 -8.452 8.077 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.812 -5.797 7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.977 -6.767 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.955 -5.256 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.429 -7.076 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.239 -5.955 5.588 1.00 0.00 H new ATOM 131 N ILE A 9 -6.918 -4.604 9.235 1.00 0.00 N ATOM 132 CA ILE A 9 -6.240 -3.954 10.348 1.00 0.00 C ATOM 133 C ILE A 9 -6.823 -2.550 10.487 1.00 0.00 C ATOM 134 O ILE A 9 -6.527 -1.677 9.674 1.00 0.00 O ATOM 135 CB ILE A 9 -4.713 -3.906 10.131 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.123 -5.275 9.746 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.053 -3.401 11.424 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.657 -5.179 9.315 1.00 0.00 C ATOM 0 H ILE A 9 -6.909 -4.051 8.378 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.400 -4.522 11.264 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.512 -3.232 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.206 -5.955 10.594 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.710 -5.705 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.972 -3.361 11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.427 -2.404 11.658 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.291 -4.080 12.243 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.289 -6.171 9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.575 -4.522 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.062 -4.775 10.135 1.00 0.00 H new ATOM 150 N ASP A 10 -7.643 -2.334 11.520 1.00 0.00 N ATOM 151 CA ASP A 10 -8.217 -1.034 11.829 1.00 0.00 C ATOM 152 C ASP A 10 -7.407 -0.380 12.954 1.00 0.00 C ATOM 153 O ASP A 10 -6.831 -1.066 13.797 1.00 0.00 O ATOM 154 CB ASP A 10 -9.703 -1.201 12.173 1.00 0.00 C ATOM 155 CG ASP A 10 -10.327 0.096 12.682 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.444 1.032 11.860 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.668 0.132 13.885 1.00 0.00 O ATOM 0 H ASP A 10 -7.926 -3.069 12.168 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.165 -0.368 10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.243 -1.539 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.814 -1.977 12.930 1.00 0.00 H new ATOM 162 N GLY A 11 -7.357 0.957 12.939 1.00 0.00 N ATOM 163 CA GLY A 11 -6.629 1.764 13.906 1.00 0.00 C ATOM 164 C GLY A 11 -5.209 2.111 13.448 1.00 0.00 C ATOM 165 O GLY A 11 -4.402 2.537 14.273 1.00 0.00 O ATOM 0 H GLY A 11 -7.837 1.515 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.181 2.686 14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.578 1.228 14.854 1.00 0.00 H new ATOM 169 N MET A 12 -4.897 1.958 12.151 1.00 0.00 N ATOM 170 CA MET A 12 -3.610 2.352 11.587 1.00 0.00 C ATOM 171 C MET A 12 -3.618 3.859 11.315 1.00 0.00 C ATOM 172 O MET A 12 -3.542 4.298 10.168 1.00 0.00 O ATOM 173 CB MET A 12 -3.306 1.543 10.318 1.00 0.00 C ATOM 174 CG MET A 12 -3.222 0.043 10.606 1.00 0.00 C ATOM 175 SD MET A 12 -2.427 -0.946 9.308 1.00 0.00 S ATOM 176 CE MET A 12 -3.559 -0.663 7.928 1.00 0.00 C ATOM 0 H MET A 12 -5.538 1.555 11.467 1.00 0.00 H new ATOM 0 HA MET A 12 -2.814 2.136 12.300 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.082 1.727 9.575 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.365 1.883 9.887 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.676 -0.102 11.538 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.231 -0.338 10.765 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.217 -1.221 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.559 -0.998 8.203 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.585 0.401 7.691 1.00 0.00 H new ATOM 225 N SER A 16 2.907 5.988 9.587 1.00 0.00 N ATOM 226 CA SER A 16 3.814 5.462 10.599 1.00 0.00 C ATOM 227 C SER A 16 3.368 4.081 11.092 1.00 0.00 C ATOM 228 O SER A 16 4.198 3.184 11.238 1.00 0.00 O ATOM 229 CB SER A 16 3.889 6.450 11.767 1.00 0.00 C ATOM 230 OG SER A 16 4.260 7.729 11.297 1.00 0.00 O ATOM 0 HA SER A 16 4.802 5.342 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.923 6.505 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.613 6.100 12.503 1.00 0.00 H new ATOM 0 HG SER A 16 3.901 7.863 10.395 1.00 0.00 H new ATOM 236 N CYS A 17 2.062 3.909 11.340 1.00 0.00 N ATOM 237 CA CYS A 17 1.488 2.642 11.772 1.00 0.00 C ATOM 238 C CYS A 17 1.739 1.576 10.707 1.00 0.00 C ATOM 239 O CYS A 17 2.347 0.551 10.995 1.00 0.00 O ATOM 240 CB CYS A 17 -0.015 2.787 12.046 1.00 0.00 C ATOM 241 SG CYS A 17 -0.320 4.046 13.313 1.00 0.00 S ATOM 0 H CYS A 17 1.375 4.656 11.243 1.00 0.00 H new ATOM 0 HA CYS A 17 1.968 2.338 12.702 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.532 3.058 11.126 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.424 1.830 12.372 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.599 4.149 13.523 1.00 0.00 H new ATOM 247 N VAL A 18 1.280 1.833 9.478 1.00 0.00 N ATOM 248 CA VAL A 18 1.429 0.950 8.326 1.00 0.00 C ATOM 249 C VAL A 18 2.883 0.497 8.164 1.00 0.00 C ATOM 250 O VAL A 18 3.155 -0.698 8.058 1.00 0.00 O ATOM 251 CB VAL A 18 0.900 1.683 7.078 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.240 0.964 5.769 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.621 1.830 7.183 1.00 0.00 C ATOM 0 H VAL A 18 0.778 2.692 9.254 1.00 0.00 H new ATOM 0 HA VAL A 18 0.845 0.041 8.472 1.00 0.00 H new ATOM 0 HB VAL A 18 1.390 2.656 7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.840 1.531 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.322 0.882 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.800 -0.033 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.998 2.348 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.078 0.843 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.870 2.404 8.076 1.00 0.00 H new ATOM 263 N GLN A 19 3.808 1.463 8.154 1.00 0.00 N ATOM 264 CA GLN A 19 5.235 1.249 7.983 1.00 0.00 C ATOM 265 C GLN A 19 5.794 0.350 9.089 1.00 0.00 C ATOM 266 O GLN A 19 6.452 -0.646 8.791 1.00 0.00 O ATOM 267 CB GLN A 19 5.927 2.618 7.947 1.00 0.00 C ATOM 268 CG GLN A 19 7.429 2.506 7.668 1.00 0.00 C ATOM 269 CD GLN A 19 8.066 3.888 7.561 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.752 4.333 8.478 1.00 0.00 O ATOM 271 NE2 GLN A 19 7.840 4.575 6.439 1.00 0.00 N ATOM 0 H GLN A 19 3.567 2.447 8.269 1.00 0.00 H new ATOM 0 HA GLN A 19 5.426 0.729 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.463 3.237 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.774 3.125 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.910 1.940 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.591 1.954 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.265 4.170 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.243 5.505 6.320 1.00 0.00 H new ATOM 280 N SER A 20 5.536 0.699 10.356 1.00 0.00 N ATOM 281 CA SER A 20 6.043 -0.040 11.504 1.00 0.00 C ATOM 282 C SER A 20 5.529 -1.483 11.508 1.00 0.00 C ATOM 283 O SER A 20 6.324 -2.408 11.657 1.00 0.00 O ATOM 284 CB SER A 20 5.711 0.697 12.808 1.00 0.00 C ATOM 285 OG SER A 20 4.320 0.853 12.978 1.00 0.00 O ATOM 0 H SER A 20 4.966 1.507 10.608 1.00 0.00 H new ATOM 0 HA SER A 20 7.129 -0.095 11.426 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.121 0.144 13.653 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.190 1.676 12.805 1.00 0.00 H new ATOM 0 HG SER A 20 3.875 0.786 12.108 1.00 0.00 H new ATOM 291 N ILE A 21 4.215 -1.671 11.330 1.00 0.00 N ATOM 292 CA ILE A 21 3.587 -2.986 11.244 1.00 0.00 C ATOM 293 C ILE A 21 4.285 -3.812 10.165 1.00 0.00 C ATOM 294 O ILE A 21 4.755 -4.910 10.451 1.00 0.00 O ATOM 295 CB ILE A 21 2.077 -2.853 10.970 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.358 -2.187 12.158 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.447 -4.232 10.716 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.002 -1.616 11.732 1.00 0.00 C ATOM 0 H ILE A 21 3.553 -0.900 11.241 1.00 0.00 H new ATOM 0 HA ILE A 21 3.695 -3.502 12.198 1.00 0.00 H new ATOM 0 HB ILE A 21 1.960 -2.230 10.083 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.215 -2.916 12.955 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.981 -1.390 12.563 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.380 -4.115 10.525 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.922 -4.695 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.591 -4.865 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.483 -1.152 12.591 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.150 -0.869 10.952 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.627 -2.420 11.350 1.00 0.00 H new ATOM 310 N GLU A 22 4.357 -3.284 8.937 1.00 0.00 N ATOM 311 CA GLU A 22 4.957 -3.978 7.807 1.00 0.00 C ATOM 312 C GLU A 22 6.382 -4.425 8.141 1.00 0.00 C ATOM 313 O GLU A 22 6.689 -5.611 8.039 1.00 0.00 O ATOM 314 CB GLU A 22 4.896 -3.083 6.560 1.00 0.00 C ATOM 315 CG GLU A 22 5.214 -3.881 5.291 1.00 0.00 C ATOM 316 CD GLU A 22 5.002 -3.058 4.022 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.839 -2.663 3.787 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.003 -2.845 3.304 1.00 0.00 O ATOM 0 H GLU A 22 3.997 -2.358 8.705 1.00 0.00 H new ATOM 0 HA GLU A 22 4.391 -4.884 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.904 -2.640 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.605 -2.261 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.248 -4.225 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.583 -4.769 5.255 1.00 0.00 H new ATOM 325 N GLY A 23 7.236 -3.483 8.559 1.00 0.00 N ATOM 326 CA GLY A 23 8.632 -3.729 8.888 1.00 0.00 C ATOM 327 C GLY A 23 8.808 -4.822 9.944 1.00 0.00 C ATOM 328 O GLY A 23 9.595 -5.745 9.746 1.00 0.00 O ATOM 0 H GLY A 23 6.962 -2.508 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.169 -4.014 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.084 -2.805 9.249 1.00 0.00 H new ATOM 332 N VAL A 24 8.084 -4.718 11.064 1.00 0.00 N ATOM 333 CA VAL A 24 8.180 -5.660 12.172 1.00 0.00 C ATOM 334 C VAL A 24 7.715 -7.055 11.739 1.00 0.00 C ATOM 335 O VAL A 24 8.415 -8.037 11.982 1.00 0.00 O ATOM 336 CB VAL A 24 7.391 -5.119 13.378 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.256 -6.164 14.493 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.102 -3.890 13.963 1.00 0.00 C ATOM 0 H VAL A 24 7.410 -3.969 11.223 1.00 0.00 H new ATOM 0 HA VAL A 24 9.221 -5.764 12.478 1.00 0.00 H new ATOM 0 HB VAL A 24 6.397 -4.859 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.692 -5.739 15.324 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.732 -7.040 14.110 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.247 -6.457 14.839 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.537 -3.514 14.816 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.104 -4.170 14.287 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.170 -3.113 13.202 1.00 0.00 H new ATOM 348 N ILE A 25 6.540 -7.147 11.106 1.00 0.00 N ATOM 349 CA ILE A 25 5.948 -8.418 10.714 1.00 0.00 C ATOM 350 C ILE A 25 6.786 -9.119 9.633 1.00 0.00 C ATOM 351 O ILE A 25 6.863 -10.347 9.645 1.00 0.00 O ATOM 352 CB ILE A 25 4.472 -8.225 10.321 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.616 -7.691 11.489 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.860 -9.526 9.778 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.396 -8.674 12.643 1.00 0.00 C ATOM 0 H ILE A 25 5.976 -6.336 10.853 1.00 0.00 H new ATOM 0 HA ILE A 25 5.957 -9.092 11.571 1.00 0.00 H new ATOM 0 HB ILE A 25 4.465 -7.474 9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.090 -6.793 11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.643 -7.392 11.098 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.818 -9.354 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.413 -9.848 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.915 -10.301 10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.783 -8.202 13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.889 -9.564 12.271 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.359 -8.956 13.069 1.00 0.00 H new ATOM 367 N SER A 26 7.435 -8.369 8.728 1.00 0.00 N ATOM 368 CA SER A 26 8.359 -8.928 7.738 1.00 0.00 C ATOM 369 C SER A 26 9.418 -9.844 8.366 1.00 0.00 C ATOM 370 O SER A 26 9.868 -10.786 7.714 1.00 0.00 O ATOM 371 CB SER A 26 9.071 -7.817 6.956 1.00 0.00 C ATOM 372 OG SER A 26 8.166 -7.077 6.168 1.00 0.00 O ATOM 0 H SER A 26 7.331 -7.356 8.665 1.00 0.00 H new ATOM 0 HA SER A 26 7.745 -9.525 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.579 -7.149 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.838 -8.255 6.317 1.00 0.00 H new ATOM 0 HG SER A 26 7.599 -6.528 6.749 1.00 0.00 H new ATOM 378 N LYS A 27 9.819 -9.576 9.615 1.00 0.00 N ATOM 379 CA LYS A 27 10.906 -10.281 10.281 1.00 0.00 C ATOM 380 C LYS A 27 10.415 -11.528 11.029 1.00 0.00 C ATOM 381 O LYS A 27 11.235 -12.257 11.585 1.00 0.00 O ATOM 382 CB LYS A 27 11.609 -9.326 11.256 1.00 0.00 C ATOM 383 CG LYS A 27 12.246 -8.126 10.542 1.00 0.00 C ATOM 384 CD LYS A 27 12.726 -7.029 11.503 1.00 0.00 C ATOM 385 CE LYS A 27 13.798 -7.489 12.500 1.00 0.00 C ATOM 386 NZ LYS A 27 13.217 -8.098 13.710 1.00 0.00 N ATOM 0 H LYS A 27 9.389 -8.854 10.193 1.00 0.00 H new ATOM 0 HA LYS A 27 11.605 -10.619 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.889 -8.967 11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.379 -9.871 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.091 -8.473 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.522 -7.699 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.122 -6.198 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.869 -6.648 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.456 -8.209 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.414 -6.636 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.755 -7.791 14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.226 -7.799 13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.260 -9.134 13.632 1.00 0.00 H new ATOM 400 N LYS A 28 9.099 -11.792 11.055 1.00 0.00 N ATOM 401 CA LYS A 28 8.546 -12.940 11.761 1.00 0.00 C ATOM 402 C LYS A 28 8.777 -14.217 10.943 1.00 0.00 C ATOM 403 O LYS A 28 8.687 -14.164 9.715 1.00 0.00 O ATOM 404 CB LYS A 28 7.046 -12.728 12.021 1.00 0.00 C ATOM 405 CG LYS A 28 6.761 -11.494 12.888 1.00 0.00 C ATOM 406 CD LYS A 28 7.101 -11.720 14.368 1.00 0.00 C ATOM 407 CE LYS A 28 6.920 -10.433 15.178 1.00 0.00 C ATOM 408 NZ LYS A 28 7.935 -9.424 14.831 1.00 0.00 N ATOM 0 H LYS A 28 8.399 -11.215 10.588 1.00 0.00 H new ATOM 0 HA LYS A 28 9.050 -13.046 12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.528 -12.624 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.638 -13.612 12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.338 -10.649 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.708 -11.227 12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.462 -12.503 14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.130 -12.069 14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.925 -10.026 14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.982 -10.661 16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.912 -8.654 15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.877 -9.865 14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.733 -9.040 13.886 1.00 0.00 H new ATOM 422 N PRO A 29 9.065 -15.363 11.590 1.00 0.00 N ATOM 423 CA PRO A 29 9.219 -16.652 10.930 1.00 0.00 C ATOM 424 C PRO A 29 8.095 -16.941 9.936 1.00 0.00 C ATOM 425 O PRO A 29 6.925 -16.715 10.239 1.00 0.00 O ATOM 426 CB PRO A 29 9.234 -17.694 12.052 1.00 0.00 C ATOM 427 CG PRO A 29 9.837 -16.920 13.220 1.00 0.00 C ATOM 428 CD PRO A 29 9.277 -15.511 13.024 1.00 0.00 C ATOM 0 HA PRO A 29 10.135 -16.669 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.232 -18.057 12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.836 -18.564 11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.540 -17.342 14.180 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.927 -16.929 13.191 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.344 -15.381 13.572 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.973 -14.759 13.396 1.00 0.00 H new ATOM 436 N GLY A 30 8.455 -17.437 8.748 1.00 0.00 N ATOM 437 CA GLY A 30 7.501 -17.829 7.727 1.00 0.00 C ATOM 438 C GLY A 30 7.147 -16.693 6.773 1.00 0.00 C ATOM 439 O GLY A 30 6.922 -16.961 5.594 1.00 0.00 O ATOM 0 H GLY A 30 9.428 -17.576 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.911 -18.662 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.591 -18.189 8.207 1.00 0.00 H new ATOM 443 N VAL A 31 7.086 -15.446 7.260 1.00 0.00 N ATOM 444 CA VAL A 31 6.682 -14.302 6.451 1.00 0.00 C ATOM 445 C VAL A 31 7.718 -14.047 5.355 1.00 0.00 C ATOM 446 O VAL A 31 8.898 -13.861 5.646 1.00 0.00 O ATOM 447 CB VAL A 31 6.465 -13.051 7.320 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.024 -11.861 6.454 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.377 -13.316 8.364 1.00 0.00 C ATOM 0 H VAL A 31 7.316 -15.209 8.225 1.00 0.00 H new ATOM 0 HA VAL A 31 5.727 -14.531 5.978 1.00 0.00 H new ATOM 0 HB VAL A 31 7.409 -12.818 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.876 -10.986 7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.793 -11.646 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.090 -12.106 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.232 -12.424 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.443 -13.567 7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.680 -14.146 9.002 1.00 0.00 H new ATOM 459 N LYS A 32 7.255 -14.033 4.101 1.00 0.00 N ATOM 460 CA LYS A 32 8.042 -13.662 2.939 1.00 0.00 C ATOM 461 C LYS A 32 7.884 -12.152 2.741 1.00 0.00 C ATOM 462 O LYS A 32 8.496 -11.375 3.472 1.00 0.00 O ATOM 463 CB LYS A 32 7.585 -14.487 1.726 1.00 0.00 C ATOM 464 CG LYS A 32 7.809 -15.989 1.933 1.00 0.00 C ATOM 465 CD LYS A 32 7.676 -16.795 0.631 1.00 0.00 C ATOM 466 CE LYS A 32 6.311 -16.657 -0.061 1.00 0.00 C ATOM 467 NZ LYS A 32 6.232 -15.465 -0.924 1.00 0.00 N ATOM 0 H LYS A 32 6.295 -14.288 3.869 1.00 0.00 H new ATOM 0 HA LYS A 32 9.102 -13.880 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.527 -14.301 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.128 -14.159 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.801 -16.149 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.089 -16.362 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.455 -16.476 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.855 -17.848 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.119 -17.548 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.528 -16.606 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.663 -15.683 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.788 -14.685 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.190 -15.184 -1.217 1.00 0.00 H new ATOM 481 N SER A 33 7.058 -11.734 1.774 1.00 0.00 N ATOM 482 CA SER A 33 6.671 -10.349 1.569 1.00 0.00 C ATOM 483 C SER A 33 5.402 -10.045 2.368 1.00 0.00 C ATOM 484 O SER A 33 4.638 -10.947 2.711 1.00 0.00 O ATOM 485 CB SER A 33 6.451 -10.107 0.072 1.00 0.00 C ATOM 486 OG SER A 33 5.510 -11.031 -0.430 1.00 0.00 O ATOM 0 H SER A 33 6.634 -12.372 1.100 1.00 0.00 H new ATOM 0 HA SER A 33 7.460 -9.683 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.098 -9.089 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.395 -10.208 -0.464 1.00 0.00 H new ATOM 0 HG SER A 33 4.984 -10.608 -1.140 1.00 0.00 H new ATOM 492 N ILE A 34 5.181 -8.759 2.652 1.00 0.00 N ATOM 493 CA ILE A 34 3.968 -8.269 3.283 1.00 0.00 C ATOM 494 C ILE A 34 3.713 -6.843 2.805 1.00 0.00 C ATOM 495 O ILE A 34 4.597 -5.996 2.900 1.00 0.00 O ATOM 496 CB ILE A 34 4.037 -8.388 4.818 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.826 -7.662 5.432 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.364 -7.888 5.406 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.682 -7.872 6.939 1.00 0.00 C ATOM 0 H ILE A 34 5.855 -8.023 2.444 1.00 0.00 H new ATOM 0 HA ILE A 34 3.120 -8.888 2.988 1.00 0.00 H new ATOM 0 HB ILE A 34 3.997 -9.446 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.913 -6.594 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.918 -8.007 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.347 -8.000 6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.187 -8.472 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.502 -6.837 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.807 -7.331 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.563 -8.935 7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.573 -7.500 7.445 1.00 0.00 H new ATOM 511 N ARG A 35 2.501 -6.591 2.301 1.00 0.00 N ATOM 512 CA ARG A 35 2.061 -5.288 1.828 1.00 0.00 C ATOM 513 C ARG A 35 0.909 -4.816 2.711 1.00 0.00 C ATOM 514 O ARG A 35 -0.200 -5.339 2.609 1.00 0.00 O ATOM 515 CB ARG A 35 1.619 -5.383 0.362 1.00 0.00 C ATOM 516 CG ARG A 35 2.752 -5.726 -0.621 1.00 0.00 C ATOM 517 CD ARG A 35 3.726 -4.566 -0.876 1.00 0.00 C ATOM 518 NE ARG A 35 4.743 -4.423 0.178 1.00 0.00 N ATOM 519 CZ ARG A 35 5.889 -5.122 0.260 1.00 0.00 C ATOM 520 NH1 ARG A 35 6.162 -6.109 -0.605 1.00 0.00 N ATOM 521 NH2 ARG A 35 6.771 -4.827 1.223 1.00 0.00 N ATOM 0 H ARG A 35 1.785 -7.311 2.211 1.00 0.00 H new ATOM 0 HA ARG A 35 2.880 -4.571 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.840 -6.140 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.173 -4.433 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.310 -6.578 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.315 -6.036 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.223 -4.721 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.162 -3.637 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 35 4.563 -3.735 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.495 -6.341 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.037 -6.628 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.571 -4.078 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.643 -5.351 1.294 1.00 0.00 H new ATOM 535 N VAL A 36 1.178 -3.827 3.572 1.00 0.00 N ATOM 536 CA VAL A 36 0.180 -3.190 4.416 1.00 0.00 C ATOM 537 C VAL A 36 -0.287 -1.909 3.723 1.00 0.00 C ATOM 538 O VAL A 36 0.535 -1.060 3.383 1.00 0.00 O ATOM 539 CB VAL A 36 0.741 -2.933 5.826 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.364 -2.427 6.762 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.331 -4.208 6.439 1.00 0.00 C ATOM 0 H VAL A 36 2.116 -3.445 3.698 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.681 -3.844 4.552 1.00 0.00 H new ATOM 0 HB VAL A 36 1.525 -2.183 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.052 -2.251 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.775 -1.496 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.155 -3.174 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.717 -3.988 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.555 -4.970 6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.141 -4.574 5.808 1.00 0.00 H new ATOM 551 N SER A 37 -1.601 -1.786 3.505 1.00 0.00 N ATOM 552 CA SER A 37 -2.227 -0.653 2.836 1.00 0.00 C ATOM 553 C SER A 37 -2.966 0.216 3.852 1.00 0.00 C ATOM 554 O SER A 37 -3.775 -0.292 4.627 1.00 0.00 O ATOM 555 CB SER A 37 -3.207 -1.169 1.777 1.00 0.00 C ATOM 556 OG SER A 37 -3.891 -0.094 1.162 1.00 0.00 O ATOM 0 H SER A 37 -2.272 -2.495 3.800 1.00 0.00 H new ATOM 0 HA SER A 37 -1.458 -0.048 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.667 -1.742 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.925 -1.847 2.238 1.00 0.00 H new ATOM 0 HG SER A 37 -3.475 0.106 0.297 1.00 0.00 H new ATOM 562 N LEU A 38 -2.701 1.528 3.820 1.00 0.00 N ATOM 563 CA LEU A 38 -3.442 2.521 4.585 1.00 0.00 C ATOM 564 C LEU A 38 -4.864 2.625 4.026 1.00 0.00 C ATOM 565 O LEU A 38 -5.836 2.497 4.768 1.00 0.00 O ATOM 566 CB LEU A 38 -2.715 3.875 4.501 1.00 0.00 C ATOM 567 CG LEU A 38 -3.327 4.970 5.395 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.178 4.657 6.890 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.627 6.302 5.100 1.00 0.00 C ATOM 0 H LEU A 38 -1.954 1.928 3.252 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.500 2.226 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.671 3.733 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.724 4.217 3.466 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.392 5.022 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.626 5.460 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.682 3.717 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.121 4.571 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.053 7.084 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.562 6.208 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.768 6.562 4.051 1.00 0.00 H new ATOM 581 N ALA A 39 -4.965 2.857 2.710 1.00 0.00 N ATOM 582 CA ALA A 39 -6.211 3.078 1.988 1.00 0.00 C ATOM 583 C ALA A 39 -7.217 1.949 2.218 1.00 0.00 C ATOM 584 O ALA A 39 -8.379 2.217 2.512 1.00 0.00 O ATOM 585 CB ALA A 39 -5.910 3.237 0.496 1.00 0.00 C ATOM 0 H ALA A 39 -4.146 2.896 2.103 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.669 3.991 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.840 3.403 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.247 4.089 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.428 2.333 0.124 1.00 0.00 H new ATOM 591 N ASN A 40 -6.766 0.694 2.097 1.00 0.00 N ATOM 592 CA ASN A 40 -7.622 -0.475 2.269 1.00 0.00 C ATOM 593 C ASN A 40 -7.654 -0.935 3.732 1.00 0.00 C ATOM 594 O ASN A 40 -8.473 -1.787 4.072 1.00 0.00 O ATOM 595 CB ASN A 40 -7.151 -1.611 1.354 1.00 0.00 C ATOM 596 CG ASN A 40 -7.224 -1.229 -0.122 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.243 -1.449 -0.772 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.143 -0.660 -0.660 1.00 0.00 N ATOM 0 H ASN A 40 -5.796 0.466 1.877 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.638 -0.196 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.125 -1.879 1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.764 -2.495 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.144 -0.391 -1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.316 -0.494 -0.087 1.00 0.00 H new ATOM 605 N SER A 41 -6.787 -0.377 4.591 1.00 0.00 N ATOM 606 CA SER A 41 -6.724 -0.662 6.020 1.00 0.00 C ATOM 607 C SER A 41 -6.616 -2.165 6.275 1.00 0.00 C ATOM 608 O SER A 41 -7.440 -2.749 6.979 1.00 0.00 O ATOM 609 CB SER A 41 -7.909 -0.010 6.745 1.00 0.00 C ATOM 610 OG SER A 41 -7.822 1.396 6.632 1.00 0.00 O ATOM 0 H SER A 41 -6.091 0.306 4.293 1.00 0.00 H new ATOM 0 HA SER A 41 -5.818 -0.220 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.848 -0.361 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.909 -0.301 7.796 1.00 0.00 H new ATOM 0 HG SER A 41 -7.114 1.630 5.996 1.00 0.00 H new ATOM 616 N ASN A 42 -5.594 -2.792 5.683 1.00 0.00 N ATOM 617 CA ASN A 42 -5.383 -4.228 5.760 1.00 0.00 C ATOM 618 C ASN A 42 -3.919 -4.577 5.501 1.00 0.00 C ATOM 619 O ASN A 42 -3.142 -3.733 5.059 1.00 0.00 O ATOM 620 CB ASN A 42 -6.339 -4.970 4.806 1.00 0.00 C ATOM 621 CG ASN A 42 -6.089 -4.709 3.319 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.215 -3.934 2.940 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.869 -5.368 2.462 1.00 0.00 N ATOM 0 H ASN A 42 -4.887 -2.305 5.133 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.615 -4.562 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.257 -6.041 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.363 -4.683 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.749 -5.236 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.586 -6.005 2.811 1.00 0.00 H new ATOM 630 N GLY A 43 -3.568 -5.836 5.786 1.00 0.00 N ATOM 631 CA GLY A 43 -2.259 -6.424 5.592 1.00 0.00 C ATOM 632 C GLY A 43 -2.404 -7.669 4.727 1.00 0.00 C ATOM 633 O GLY A 43 -3.050 -8.630 5.140 1.00 0.00 O ATOM 0 H GLY A 43 -4.235 -6.500 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.591 -5.708 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.815 -6.682 6.553 1.00 0.00 H new ATOM 637 N THR A 44 -1.791 -7.647 3.537 1.00 0.00 N ATOM 638 CA THR A 44 -1.749 -8.767 2.611 1.00 0.00 C ATOM 639 C THR A 44 -0.393 -9.437 2.808 1.00 0.00 C ATOM 640 O THR A 44 0.622 -8.944 2.317 1.00 0.00 O ATOM 641 CB THR A 44 -1.948 -8.258 1.176 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.194 -7.598 1.085 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.918 -9.410 0.164 1.00 0.00 C ATOM 0 H THR A 44 -1.299 -6.823 3.190 1.00 0.00 H new ATOM 0 HA THR A 44 -2.545 -9.489 2.794 1.00 0.00 H new ATOM 0 HB THR A 44 -1.133 -7.573 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.324 -7.270 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.062 -9.015 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.955 -9.918 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.715 -10.117 0.394 1.00 0.00 H new ATOM 651 N VAL A 45 -0.390 -10.545 3.557 1.00 0.00 N ATOM 652 CA VAL A 45 0.809 -11.214 4.032 1.00 0.00 C ATOM 653 C VAL A 45 1.024 -12.500 3.239 1.00 0.00 C ATOM 654 O VAL A 45 0.125 -13.338 3.197 1.00 0.00 O ATOM 655 CB VAL A 45 0.672 -11.544 5.532 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.051 -11.894 6.102 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.048 -10.399 6.341 1.00 0.00 C ATOM 0 H VAL A 45 -1.249 -11.008 3.853 1.00 0.00 H new ATOM 0 HA VAL A 45 1.665 -10.554 3.892 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.004 -12.394 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.958 -12.128 7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.454 -12.758 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.723 -11.045 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.023 -10.690 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.671 -9.509 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.949 -10.183 5.957 1.00 0.00 H new ATOM 667 N GLU A 46 2.209 -12.664 2.638 1.00 0.00 N ATOM 668 CA GLU A 46 2.645 -13.922 2.048 1.00 0.00 C ATOM 669 C GLU A 46 3.488 -14.630 3.105 1.00 0.00 C ATOM 670 O GLU A 46 4.400 -14.021 3.662 1.00 0.00 O ATOM 671 CB GLU A 46 3.447 -13.674 0.767 1.00 0.00 C ATOM 672 CG GLU A 46 2.548 -13.100 -0.335 1.00 0.00 C ATOM 673 CD GLU A 46 3.298 -12.943 -1.654 1.00 0.00 C ATOM 674 OE1 GLU A 46 3.853 -13.962 -2.121 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.304 -11.807 -2.178 1.00 0.00 O ATOM 0 H GLU A 46 2.895 -11.914 2.550 1.00 0.00 H new ATOM 0 HA GLU A 46 1.793 -14.538 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.265 -12.983 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.896 -14.607 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.689 -13.755 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.160 -12.131 -0.020 1.00 0.00 H new ATOM 682 N TYR A 47 3.169 -15.896 3.405 1.00 0.00 N ATOM 683 CA TYR A 47 3.738 -16.614 4.536 1.00 0.00 C ATOM 684 C TYR A 47 3.819 -18.116 4.271 1.00 0.00 C ATOM 685 O TYR A 47 3.166 -18.625 3.363 1.00 0.00 O ATOM 686 CB TYR A 47 2.894 -16.340 5.789 1.00 0.00 C ATOM 687 CG TYR A 47 1.532 -17.017 5.783 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.523 -16.564 4.913 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.314 -18.175 6.554 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.676 -17.283 4.786 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.092 -18.864 6.462 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.896 -18.429 5.565 1.00 0.00 C ATOM 693 OH TYR A 47 -2.066 -19.121 5.450 1.00 0.00 O ATOM 0 H TYR A 47 2.504 -16.447 2.862 1.00 0.00 H new ATOM 0 HA TYR A 47 4.756 -16.257 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.449 -16.672 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.752 -15.264 5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.672 -15.660 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.087 -18.534 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.431 -16.953 4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.087 -19.730 7.083 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.054 -19.888 6.060 1.00 0.00 H new ATOM 703 N ASP A 48 4.610 -18.818 5.093 1.00 0.00 N ATOM 704 CA ASP A 48 4.706 -20.272 5.112 1.00 0.00 C ATOM 705 C ASP A 48 3.821 -20.818 6.246 1.00 0.00 C ATOM 706 O ASP A 48 4.134 -20.571 7.410 1.00 0.00 O ATOM 707 CB ASP A 48 6.177 -20.672 5.307 1.00 0.00 C ATOM 708 CG ASP A 48 6.434 -22.176 5.177 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.468 -22.958 5.316 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.611 -22.522 4.939 1.00 0.00 O ATOM 0 H ASP A 48 5.216 -18.371 5.781 1.00 0.00 H new ATOM 0 HA ASP A 48 4.356 -20.695 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.787 -20.145 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.506 -20.341 6.292 1.00 0.00 H new ATOM 715 N PRO A 49 2.743 -21.566 5.934 1.00 0.00 N ATOM 716 CA PRO A 49 1.888 -22.242 6.908 1.00 0.00 C ATOM 717 C PRO A 49 2.636 -23.045 7.976 1.00 0.00 C ATOM 718 O PRO A 49 2.180 -23.128 9.114 1.00 0.00 O ATOM 719 CB PRO A 49 0.973 -23.156 6.094 1.00 0.00 C ATOM 720 CG PRO A 49 0.834 -22.392 4.784 1.00 0.00 C ATOM 721 CD PRO A 49 2.233 -21.810 4.593 1.00 0.00 C ATOM 0 HA PRO A 49 1.346 -21.489 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.412 -24.143 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.010 -23.306 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.551 -23.047 3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.075 -21.612 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.875 -22.503 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.198 -20.888 4.013 1.00 0.00 H new ATOM 729 N LEU A 50 3.771 -23.648 7.609 1.00 0.00 N ATOM 730 CA LEU A 50 4.561 -24.484 8.502 1.00 0.00 C ATOM 731 C LEU A 50 5.161 -23.669 9.654 1.00 0.00 C ATOM 732 O LEU A 50 5.301 -24.195 10.756 1.00 0.00 O ATOM 733 CB LEU A 50 5.668 -25.195 7.709 1.00 0.00 C ATOM 734 CG LEU A 50 5.156 -26.046 6.532 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.355 -26.573 5.735 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.300 -27.226 7.007 1.00 0.00 C ATOM 0 H LEU A 50 4.167 -23.565 6.672 1.00 0.00 H new ATOM 0 HA LEU A 50 3.900 -25.231 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.363 -24.447 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.231 -25.836 8.388 1.00 0.00 H new ATOM 0 HG LEU A 50 4.528 -25.413 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.000 -27.177 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.936 -25.733 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.983 -27.184 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.960 -27.799 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.894 -27.868 7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.437 -26.851 7.557 1.00 0.00 H new ATOM 748 N LEU A 51 5.522 -22.403 9.401 1.00 0.00 N ATOM 749 CA LEU A 51 6.225 -21.550 10.356 1.00 0.00 C ATOM 750 C LEU A 51 5.266 -20.590 11.066 1.00 0.00 C ATOM 751 O LEU A 51 5.474 -20.301 12.243 1.00 0.00 O ATOM 752 CB LEU A 51 7.348 -20.780 9.646 1.00 0.00 C ATOM 753 CG LEU A 51 8.661 -21.574 9.518 1.00 0.00 C ATOM 754 CD1 LEU A 51 8.514 -22.841 8.669 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.740 -20.683 8.895 1.00 0.00 C ATOM 0 H LEU A 51 5.329 -21.941 8.513 1.00 0.00 H new ATOM 0 HA LEU A 51 6.666 -22.188 11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.008 -20.496 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.544 -19.857 10.191 1.00 0.00 H new ATOM 0 HG LEU A 51 8.941 -21.884 10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.473 -23.357 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.772 -23.499 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.192 -22.570 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.669 -21.246 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.416 -20.356 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.904 -19.812 9.530 1.00 0.00 H new ATOM 767 N THR A 52 4.230 -20.089 10.378 1.00 0.00 N ATOM 768 CA THR A 52 3.246 -19.179 10.962 1.00 0.00 C ATOM 769 C THR A 52 1.869 -19.401 10.332 1.00 0.00 C ATOM 770 O THR A 52 1.719 -20.242 9.450 1.00 0.00 O ATOM 771 CB THR A 52 3.740 -17.726 10.854 1.00 0.00 C ATOM 772 OG1 THR A 52 2.934 -16.868 11.636 1.00 0.00 O ATOM 773 CG2 THR A 52 3.757 -17.219 9.409 1.00 0.00 C ATOM 0 H THR A 52 4.054 -20.307 9.397 1.00 0.00 H new ATOM 0 HA THR A 52 3.132 -19.392 12.025 1.00 0.00 H new ATOM 0 HB THR A 52 4.764 -17.719 11.226 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.263 -15.948 11.557 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.113 -16.189 9.389 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.421 -17.844 8.812 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.749 -17.262 8.996 1.00 0.00 H new ATOM 781 N SER A 53 0.860 -18.656 10.797 1.00 0.00 N ATOM 782 CA SER A 53 -0.536 -18.814 10.405 1.00 0.00 C ATOM 783 C SER A 53 -1.245 -17.457 10.460 1.00 0.00 C ATOM 784 O SER A 53 -0.759 -16.562 11.151 1.00 0.00 O ATOM 785 CB SER A 53 -1.208 -19.817 11.352 1.00 0.00 C ATOM 786 OG SER A 53 -1.182 -19.331 12.678 1.00 0.00 O ATOM 0 H SER A 53 1.001 -17.907 11.475 1.00 0.00 H new ATOM 0 HA SER A 53 -0.598 -19.191 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.238 -19.988 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.695 -20.777 11.299 1.00 0.00 H new ATOM 0 HG SER A 53 -1.615 -19.979 13.272 1.00 0.00 H new ATOM 792 N PRO A 54 -2.387 -17.280 9.770 1.00 0.00 N ATOM 793 CA PRO A 54 -3.174 -16.052 9.816 1.00 0.00 C ATOM 794 C PRO A 54 -3.489 -15.602 11.245 1.00 0.00 C ATOM 795 O PRO A 54 -3.432 -14.412 11.542 1.00 0.00 O ATOM 796 CB PRO A 54 -4.454 -16.346 9.028 1.00 0.00 C ATOM 797 CG PRO A 54 -4.018 -17.437 8.054 1.00 0.00 C ATOM 798 CD PRO A 54 -3.022 -18.243 8.882 1.00 0.00 C ATOM 0 HA PRO A 54 -2.612 -15.225 9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.259 -16.685 9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.818 -15.461 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.859 -18.047 7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.557 -17.020 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.525 -19.027 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.287 -18.733 8.244 1.00 0.00 H new ATOM 806 N GLU A 55 -3.812 -16.558 12.123 1.00 0.00 N ATOM 807 CA GLU A 55 -4.145 -16.318 13.520 1.00 0.00 C ATOM 808 C GLU A 55 -2.927 -15.805 14.292 1.00 0.00 C ATOM 809 O GLU A 55 -3.060 -14.903 15.115 1.00 0.00 O ATOM 810 CB GLU A 55 -4.685 -17.606 14.162 1.00 0.00 C ATOM 811 CG GLU A 55 -6.087 -17.992 13.663 1.00 0.00 C ATOM 812 CD GLU A 55 -6.134 -18.345 12.177 1.00 0.00 C ATOM 813 OE1 GLU A 55 -5.262 -19.130 11.745 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.040 -17.816 11.496 1.00 0.00 O ATOM 0 H GLU A 55 -3.848 -17.545 11.868 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.918 -15.551 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.995 -18.424 13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.714 -17.480 15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.447 -18.843 14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.771 -17.165 13.853 1.00 0.00 H new ATOM 821 N THR A 56 -1.744 -16.375 14.030 1.00 0.00 N ATOM 822 CA THR A 56 -0.501 -15.961 14.671 1.00 0.00 C ATOM 823 C THR A 56 -0.113 -14.551 14.218 1.00 0.00 C ATOM 824 O THR A 56 0.251 -13.716 15.044 1.00 0.00 O ATOM 825 CB THR A 56 0.604 -16.983 14.363 1.00 0.00 C ATOM 826 OG1 THR A 56 0.211 -18.260 14.823 1.00 0.00 O ATOM 827 CG2 THR A 56 1.932 -16.617 15.034 1.00 0.00 C ATOM 0 H THR A 56 -1.627 -17.139 13.364 1.00 0.00 H new ATOM 0 HA THR A 56 -0.640 -15.929 15.752 1.00 0.00 H new ATOM 0 HB THR A 56 0.750 -16.983 13.283 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.296 -18.719 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.683 -17.368 14.788 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.263 -15.642 14.677 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.796 -16.581 16.115 1.00 0.00 H new ATOM 835 N LEU A 57 -0.194 -14.290 12.908 1.00 0.00 N ATOM 836 CA LEU A 57 0.110 -12.996 12.309 1.00 0.00 C ATOM 837 C LEU A 57 -0.823 -11.921 12.869 1.00 0.00 C ATOM 838 O LEU A 57 -0.359 -10.873 13.316 1.00 0.00 O ATOM 839 CB LEU A 57 -0.011 -13.099 10.783 1.00 0.00 C ATOM 840 CG LEU A 57 1.048 -14.029 10.165 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.629 -14.413 8.741 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.431 -13.369 10.143 1.00 0.00 C ATOM 0 H LEU A 57 -0.479 -14.991 12.225 1.00 0.00 H new ATOM 0 HA LEU A 57 1.132 -12.709 12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.005 -13.465 10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.086 -12.105 10.347 1.00 0.00 H new ATOM 0 HG LEU A 57 1.115 -14.924 10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.381 -15.072 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.331 -14.928 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.539 -13.513 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.154 -14.054 9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.388 -12.454 9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.736 -13.129 11.162 1.00 0.00 H new ATOM 854 N ARG A 58 -2.132 -12.199 12.867 1.00 0.00 N ATOM 855 CA ARG A 58 -3.143 -11.377 13.515 1.00 0.00 C ATOM 856 C ARG A 58 -2.753 -11.120 14.972 1.00 0.00 C ATOM 857 O ARG A 58 -2.806 -9.980 15.421 1.00 0.00 O ATOM 858 CB ARG A 58 -4.499 -12.086 13.421 1.00 0.00 C ATOM 859 CG ARG A 58 -5.615 -11.300 14.122 1.00 0.00 C ATOM 860 CD ARG A 58 -6.942 -12.060 14.070 1.00 0.00 C ATOM 861 NE ARG A 58 -6.818 -13.423 14.604 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.646 -13.740 15.899 1.00 0.00 C ATOM 863 NH1 ARG A 58 -6.649 -12.795 16.851 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.469 -15.022 16.243 1.00 0.00 N ATOM 0 H ARG A 58 -2.519 -13.021 12.403 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.216 -10.412 13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.761 -12.228 12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.420 -13.077 13.867 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.338 -11.117 15.160 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.732 -10.326 13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.694 -11.515 14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.294 -12.105 13.039 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.866 -14.193 13.937 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.783 -11.816 16.598 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.517 -13.055 17.828 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.466 -15.747 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.338 -15.274 17.223 1.00 0.00 H new ATOM 878 N GLY A 59 -2.355 -12.173 15.696 1.00 0.00 N ATOM 879 CA GLY A 59 -1.904 -12.102 17.077 1.00 0.00 C ATOM 880 C GLY A 59 -0.752 -11.113 17.261 1.00 0.00 C ATOM 881 O GLY A 59 -0.770 -10.324 18.201 1.00 0.00 O ATOM 0 H GLY A 59 -2.340 -13.121 15.320 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.738 -11.808 17.715 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.586 -13.092 17.404 1.00 0.00 H new ATOM 885 N ALA A 60 0.247 -11.151 16.371 1.00 0.00 N ATOM 886 CA ALA A 60 1.401 -10.261 16.421 1.00 0.00 C ATOM 887 C ALA A 60 0.983 -8.803 16.203 1.00 0.00 C ATOM 888 O ALA A 60 1.381 -7.928 16.967 1.00 0.00 O ATOM 889 CB ALA A 60 2.441 -10.707 15.392 1.00 0.00 C ATOM 0 H ALA A 60 0.272 -11.808 15.591 1.00 0.00 H new ATOM 0 HA ALA A 60 1.850 -10.319 17.413 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.302 -10.040 15.432 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.760 -11.725 15.615 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.003 -10.675 14.394 1.00 0.00 H new ATOM 895 N ILE A 61 0.175 -8.542 15.171 1.00 0.00 N ATOM 896 CA ILE A 61 -0.349 -7.213 14.861 1.00 0.00 C ATOM 897 C ILE A 61 -1.180 -6.687 16.043 1.00 0.00 C ATOM 898 O ILE A 61 -1.072 -5.521 16.420 1.00 0.00 O ATOM 899 CB ILE A 61 -1.164 -7.285 13.554 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.273 -7.695 12.364 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.819 -5.931 13.253 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.084 -8.253 11.190 1.00 0.00 C ATOM 0 H ILE A 61 -0.137 -9.261 14.519 1.00 0.00 H new ATOM 0 HA ILE A 61 0.468 -6.508 14.708 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.938 -8.041 13.691 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.299 -6.830 12.028 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.446 -8.445 12.694 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.390 -6.001 12.327 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.486 -5.660 14.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.047 -5.169 13.147 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.409 -8.526 10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.636 -9.135 11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.785 -7.495 10.839 1.00 0.00 H new ATOM 914 N GLU A 62 -2.003 -7.557 16.634 1.00 0.00 N ATOM 915 CA GLU A 62 -2.829 -7.257 17.792 1.00 0.00 C ATOM 916 C GLU A 62 -1.955 -6.922 19.004 1.00 0.00 C ATOM 917 O GLU A 62 -2.266 -5.991 19.744 1.00 0.00 O ATOM 918 CB GLU A 62 -3.768 -8.442 18.047 1.00 0.00 C ATOM 919 CG GLU A 62 -4.839 -8.143 19.099 1.00 0.00 C ATOM 920 CD GLU A 62 -5.801 -9.321 19.226 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.616 -9.495 18.294 1.00 0.00 O ATOM 922 OE2 GLU A 62 -5.702 -10.033 20.250 1.00 0.00 O ATOM 0 H GLU A 62 -2.112 -8.516 16.305 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.440 -6.374 17.605 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.254 -8.721 17.112 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.180 -9.301 18.370 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.367 -7.945 20.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.389 -7.244 18.822 1.00 0.00 H new ATOM 929 N ASP A 63 -0.858 -7.667 19.195 1.00 0.00 N ATOM 930 CA ASP A 63 0.107 -7.437 20.260 1.00 0.00 C ATOM 931 C ASP A 63 0.789 -6.075 20.104 1.00 0.00 C ATOM 932 O ASP A 63 0.968 -5.374 21.099 1.00 0.00 O ATOM 933 CB ASP A 63 1.126 -8.582 20.301 1.00 0.00 C ATOM 934 CG ASP A 63 2.117 -8.409 21.449 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.734 -8.753 22.588 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.239 -7.935 21.166 1.00 0.00 O ATOM 0 H ASP A 63 -0.619 -8.459 18.599 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.421 -7.419 21.213 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.603 -9.532 20.411 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.667 -8.623 19.355 1.00 0.00 H new ATOM 941 N MET A 64 1.154 -5.688 18.871 1.00 0.00 N ATOM 942 CA MET A 64 1.674 -4.353 18.591 1.00 0.00 C ATOM 943 C MET A 64 0.657 -3.288 19.019 1.00 0.00 C ATOM 944 O MET A 64 1.039 -2.304 19.648 1.00 0.00 O ATOM 945 CB MET A 64 2.052 -4.188 17.114 1.00 0.00 C ATOM 946 CG MET A 64 3.285 -5.016 16.733 1.00 0.00 C ATOM 947 SD MET A 64 3.810 -4.841 15.005 1.00 0.00 S ATOM 948 CE MET A 64 4.428 -3.138 15.034 1.00 0.00 C ATOM 0 H MET A 64 1.095 -6.291 18.051 1.00 0.00 H new ATOM 0 HA MET A 64 2.587 -4.220 19.172 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.210 -4.487 16.490 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.245 -3.136 16.906 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.113 -4.729 17.381 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.075 -6.067 16.930 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.981 -2.936 14.117 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.588 -2.447 15.111 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.087 -3.005 15.892 1.00 0.00 H new ATOM 958 N GLY A 65 -0.626 -3.501 18.695 1.00 0.00 N ATOM 959 CA GLY A 65 -1.732 -2.703 19.209 1.00 0.00 C ATOM 960 C GLY A 65 -2.592 -2.143 18.085 1.00 0.00 C ATOM 961 O GLY A 65 -2.707 -0.926 17.950 1.00 0.00 O ATOM 0 H GLY A 65 -0.921 -4.243 18.060 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.348 -3.316 19.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.340 -1.883 19.811 1.00 0.00 H new ATOM 965 N PHE A 66 -3.204 -3.031 17.292 1.00 0.00 N ATOM 966 CA PHE A 66 -4.137 -2.670 16.232 1.00 0.00 C ATOM 967 C PHE A 66 -5.292 -3.668 16.211 1.00 0.00 C ATOM 968 O PHE A 66 -5.126 -4.820 16.608 1.00 0.00 O ATOM 969 CB PHE A 66 -3.412 -2.629 14.883 1.00 0.00 C ATOM 970 CG PHE A 66 -2.239 -1.670 14.850 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.484 -0.290 14.739 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.934 -2.131 15.110 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.433 0.629 14.897 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.116 -1.211 15.269 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.131 0.169 15.161 1.00 0.00 C ATOM 0 H PHE A 66 -3.058 -4.037 17.375 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.542 -1.676 16.422 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.058 -3.631 14.641 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.123 -2.346 14.107 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.483 0.065 14.532 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.740 -3.191 15.187 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.625 1.689 14.816 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.115 -1.565 15.475 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.678 0.874 15.281 1.00 0.00 H new ATOM 985 N ASP A 67 -6.466 -3.225 15.747 1.00 0.00 N ATOM 986 CA ASP A 67 -7.665 -4.048 15.698 1.00 0.00 C ATOM 987 C ASP A 67 -7.587 -4.959 14.475 1.00 0.00 C ATOM 988 O ASP A 67 -8.090 -4.616 13.405 1.00 0.00 O ATOM 989 CB ASP A 67 -8.905 -3.147 15.672 1.00 0.00 C ATOM 990 CG ASP A 67 -9.002 -2.278 16.923 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.502 -2.801 17.942 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.570 -1.107 16.838 1.00 0.00 O ATOM 0 H ASP A 67 -6.605 -2.278 15.394 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.740 -4.678 16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.872 -2.509 14.788 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.800 -3.763 15.587 1.00 0.00 H new ATOM 997 N ALA A 68 -6.938 -6.118 14.645 1.00 0.00 N ATOM 998 CA ALA A 68 -6.633 -7.059 13.578 1.00 0.00 C ATOM 999 C ALA A 68 -7.646 -8.205 13.570 1.00 0.00 C ATOM 1000 O ALA A 68 -7.884 -8.823 14.606 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.209 -7.582 13.768 1.00 0.00 C ATOM 0 H ALA A 68 -6.604 -6.429 15.557 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.700 -6.556 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.972 -8.288 12.972 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.508 -6.748 13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.131 -8.083 14.733 1.00 0.00 H new ATOM 1007 N THR A 69 -8.234 -8.484 12.398 1.00 0.00 N ATOM 1008 CA THR A 69 -9.202 -9.554 12.177 1.00 0.00 C ATOM 1009 C THR A 69 -8.954 -10.175 10.801 1.00 0.00 C ATOM 1010 O THR A 69 -8.478 -9.494 9.896 1.00 0.00 O ATOM 1011 CB THR A 69 -10.636 -9.009 12.272 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.819 -7.949 11.356 1.00 0.00 O ATOM 1013 CG2 THR A 69 -10.977 -8.516 13.683 1.00 0.00 C ATOM 0 H THR A 69 -8.038 -7.949 11.552 1.00 0.00 H new ATOM 0 HA THR A 69 -9.081 -10.317 12.946 1.00 0.00 H new ATOM 0 HB THR A 69 -11.305 -9.835 12.030 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.737 -7.612 11.425 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.000 -8.140 13.700 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.881 -9.341 14.390 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.292 -7.716 13.964 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.278 -11.464 10.629 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.115 -12.146 9.349 1.00 0.00 C ATOM 1023 C LEU A 70 -10.131 -11.587 8.350 1.00 0.00 C ATOM 1024 O LEU A 70 -11.290 -11.382 8.707 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.315 -13.667 9.484 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.361 -14.431 10.424 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -6.921 -13.909 10.380 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -8.879 -14.498 11.866 1.00 0.00 C ATOM 0 H LEU A 70 -9.657 -12.054 11.370 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.098 -11.972 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.335 -13.843 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.231 -14.107 8.490 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.340 -15.449 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.302 -14.490 11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.530 -14.005 9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.905 -12.861 10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.168 -15.047 12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.995 -13.488 12.258 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.843 -15.007 11.883 1.00 0.00 H new