USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 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 Single : A 24 THR OG1 : rot 34:sc= 0.131 USER MOD Single : A 33 ASN : amide:sc= 0.684 K(o=0.68,f=-0.00091) USER MOD Single : A 34 HIS : no HE2:sc= 0.0246 K(o=0.025,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-1.5!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0298 (180deg=-0.159) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.799 (180deg=0.799) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 56 THR OG1 : rot 64:sc= 1.08 USER MOD Single : A 57 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.29) USER MOD Single : A 58 SER OG : rot 45:sc= 0.249 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.27) USER MOD Single : A 63 SER OG : rot -160:sc= -0.67 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 86 THR OG1 : rot 52:sc= -2.19! USER MOD Single : A 89 SER OG : rot -84:sc= 0.823 USER MOD Single : A 90 MET CE :methyl 180:sc= -3.31! (180deg=-3.31!) USER MOD Single : A 91 HIS : no HD1:sc=-0.00407 X(o=-0.0041,f=-0.31) USER MOD Single : A 94 CYS SG : rot 4:sc= 0.32 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 103 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.425 -9.969 1.315 1.00 0.00 N ATOM 55 CA THR A 24 1.520 -11.350 1.791 1.00 0.00 C ATOM 56 C THR A 24 1.483 -12.325 0.593 1.00 0.00 C ATOM 57 O THR A 24 0.450 -12.445 -0.070 1.00 0.00 O ATOM 58 CB THR A 24 0.341 -11.654 2.777 1.00 0.00 C ATOM 59 OG1 THR A 24 0.349 -10.680 3.838 1.00 0.00 O ATOM 60 CG2 THR A 24 0.426 -13.069 3.384 1.00 0.00 C ATOM 0 HA THR A 24 2.464 -11.483 2.320 1.00 0.00 H new ATOM 0 HB THR A 24 -0.586 -11.600 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.652 -9.817 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.415 -13.226 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.394 -13.810 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.360 -13.172 3.937 1.00 0.00 H new ATOM 68 N LEU A 25 2.621 -12.983 0.304 1.00 0.00 N ATOM 69 CA LEU A 25 2.709 -14.006 -0.755 1.00 0.00 C ATOM 70 C LEU A 25 2.229 -15.354 -0.198 1.00 0.00 C ATOM 71 O LEU A 25 2.918 -15.995 0.606 1.00 0.00 O ATOM 72 CB LEU A 25 4.150 -14.093 -1.315 1.00 0.00 C ATOM 73 CG LEU A 25 4.648 -12.811 -2.067 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.094 -12.983 -2.578 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.682 -12.420 -3.221 1.00 0.00 C ATOM 0 H LEU A 25 3.501 -12.822 0.795 1.00 0.00 H new ATOM 0 HA LEU A 25 2.063 -13.728 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.832 -14.300 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.208 -14.941 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 25 4.650 -11.991 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.408 -12.076 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.759 -13.168 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.139 -13.827 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.056 -11.527 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.621 -13.239 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.691 -12.219 -2.814 1.00 0.00 H new ATOM 87 N VAL A 26 1.025 -15.747 -0.619 1.00 0.00 N ATOM 88 CA VAL A 26 0.299 -16.889 -0.076 1.00 0.00 C ATOM 89 C VAL A 26 0.575 -18.146 -0.924 1.00 0.00 C ATOM 90 O VAL A 26 0.362 -18.148 -2.140 1.00 0.00 O ATOM 91 CB VAL A 26 -1.240 -16.580 -0.035 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.040 -17.752 0.574 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.536 -15.245 0.705 1.00 0.00 C ATOM 0 H VAL A 26 0.519 -15.267 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 26 0.643 -17.076 0.941 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.572 -16.461 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.101 -17.501 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.886 -18.649 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.699 -17.934 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.611 -15.064 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.171 -15.308 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.034 -14.425 0.191 1.00 0.00 H new ATOM 103 N ARG A 27 1.044 -19.200 -0.246 1.00 0.00 N ATOM 104 CA ARG A 27 1.387 -20.511 -0.847 1.00 0.00 C ATOM 105 C ARG A 27 0.103 -21.286 -1.227 1.00 0.00 C ATOM 106 O ARG A 27 -0.971 -20.956 -0.733 1.00 0.00 O ATOM 107 CB ARG A 27 2.216 -21.303 0.196 1.00 0.00 C ATOM 108 CG ARG A 27 3.513 -20.575 0.651 1.00 0.00 C ATOM 109 CD ARG A 27 3.991 -20.991 2.051 1.00 0.00 C ATOM 110 NE ARG A 27 3.034 -20.578 3.102 1.00 0.00 N ATOM 111 CZ ARG A 27 3.277 -20.580 4.419 1.00 0.00 C ATOM 112 NH1 ARG A 27 4.449 -20.969 4.899 1.00 0.00 N ATOM 113 NH2 ARG A 27 2.332 -20.181 5.250 1.00 0.00 N ATOM 0 H ARG A 27 1.202 -19.173 0.761 1.00 0.00 H new ATOM 0 HA ARG A 27 1.965 -20.371 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.594 -21.497 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.483 -22.272 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.305 -20.777 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.339 -19.499 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.123 -22.072 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.965 -20.545 2.250 1.00 0.00 H new ATOM 0 HE ARG A 27 2.112 -20.266 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.185 -21.274 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.615 -20.964 5.905 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.429 -19.876 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.505 -20.178 6.255 1.00 0.00 H new ATOM 127 N ILE A 28 0.217 -22.337 -2.068 1.00 0.00 N ATOM 128 CA ILE A 28 -0.966 -23.127 -2.524 1.00 0.00 C ATOM 129 C ILE A 28 -1.612 -23.908 -1.358 1.00 0.00 C ATOM 130 O ILE A 28 -2.846 -23.919 -1.209 1.00 0.00 O ATOM 131 CB ILE A 28 -0.612 -24.101 -3.720 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.876 -24.899 -4.209 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.553 -25.055 -3.375 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.635 -25.801 -5.414 1.00 0.00 C ATOM 0 H ILE A 28 1.106 -22.663 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.694 -22.405 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.275 -23.472 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.245 -25.509 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.664 -24.188 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.758 -25.703 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.444 -24.472 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.281 -25.665 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.562 -26.310 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.298 -25.199 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.873 -26.540 -5.168 1.00 0.00 H new ATOM 146 N ALA A 29 -0.755 -24.516 -0.514 1.00 0.00 N ATOM 147 CA ALA A 29 -1.194 -25.259 0.687 1.00 0.00 C ATOM 148 C ALA A 29 -1.779 -24.300 1.738 1.00 0.00 C ATOM 149 O ALA A 29 -2.682 -24.666 2.490 1.00 0.00 O ATOM 150 CB ALA A 29 -0.031 -26.070 1.283 1.00 0.00 C ATOM 0 H ALA A 29 0.257 -24.507 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.977 -25.955 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.377 -26.608 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.333 -26.783 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.777 -25.395 1.564 1.00 0.00 H new ATOM 156 N ASP A 30 -1.274 -23.053 1.730 1.00 0.00 N ATOM 157 CA ASP A 30 -1.623 -21.999 2.708 1.00 0.00 C ATOM 158 C ASP A 30 -3.142 -21.701 2.682 1.00 0.00 C ATOM 159 O ASP A 30 -3.754 -21.500 3.737 1.00 0.00 O ATOM 160 CB ASP A 30 -0.792 -20.730 2.378 1.00 0.00 C ATOM 161 CG ASP A 30 -0.646 -19.686 3.498 1.00 0.00 C ATOM 162 OD1 ASP A 30 -1.523 -19.575 4.376 1.00 0.00 O ATOM 163 OD2 ASP A 30 0.364 -18.947 3.486 1.00 0.00 O ATOM 0 H ASP A 30 -0.599 -22.741 1.032 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.385 -22.336 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.206 -21.047 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.246 -20.242 1.515 1.00 0.00 H new ATOM 168 N LEU A 31 -3.728 -21.711 1.459 1.00 0.00 N ATOM 169 CA LEU A 31 -5.195 -21.579 1.261 1.00 0.00 C ATOM 170 C LEU A 31 -5.951 -22.688 2.023 1.00 0.00 C ATOM 171 O LEU A 31 -6.897 -22.415 2.765 1.00 0.00 O ATOM 172 CB LEU A 31 -5.601 -21.653 -0.252 1.00 0.00 C ATOM 173 CG LEU A 31 -5.323 -20.398 -1.148 1.00 0.00 C ATOM 174 CD1 LEU A 31 -3.827 -20.155 -1.378 1.00 0.00 C ATOM 175 CD2 LEU A 31 -6.076 -20.502 -2.495 1.00 0.00 C ATOM 0 H LEU A 31 -3.204 -21.810 0.589 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.469 -20.598 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.082 -22.503 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.668 -21.870 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.702 -19.534 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.694 -19.273 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.333 -19.997 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.389 -21.022 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.866 -19.619 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.745 -21.393 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.148 -20.568 -2.308 1.00 0.00 H new ATOM 187 N GLU A 32 -5.474 -23.931 1.837 1.00 0.00 N ATOM 188 CA GLU A 32 -6.136 -25.160 2.328 1.00 0.00 C ATOM 189 C GLU A 32 -6.106 -25.241 3.870 1.00 0.00 C ATOM 190 O GLU A 32 -7.104 -25.600 4.504 1.00 0.00 O ATOM 191 CB GLU A 32 -5.437 -26.409 1.724 1.00 0.00 C ATOM 192 CG GLU A 32 -5.211 -26.346 0.199 1.00 0.00 C ATOM 193 CD GLU A 32 -4.554 -27.622 -0.350 1.00 0.00 C ATOM 194 OE1 GLU A 32 -3.348 -27.824 -0.110 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.247 -28.438 -0.993 1.00 0.00 O ATOM 0 H GLU A 32 -4.606 -24.117 1.335 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.179 -25.131 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.473 -26.542 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.036 -27.290 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.167 -26.189 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.583 -25.487 -0.037 1.00 0.00 H new ATOM 202 N ASN A 33 -4.944 -24.891 4.457 1.00 0.00 N ATOM 203 CA ASN A 33 -4.722 -24.944 5.921 1.00 0.00 C ATOM 204 C ASN A 33 -5.502 -23.831 6.640 1.00 0.00 C ATOM 205 O ASN A 33 -6.087 -24.066 7.701 1.00 0.00 O ATOM 206 CB ASN A 33 -3.210 -24.856 6.265 1.00 0.00 C ATOM 207 CG ASN A 33 -2.421 -26.108 5.855 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.360 -27.085 6.594 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.754 -26.071 4.714 1.00 0.00 N ATOM 0 H ASN A 33 -4.132 -24.564 3.933 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.095 -25.906 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.781 -23.986 5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.097 -24.699 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.176 -26.864 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.817 -25.250 4.113 1.00 0.00 H new ATOM 216 N HIS A 34 -5.523 -22.624 6.039 1.00 0.00 N ATOM 217 CA HIS A 34 -6.286 -21.475 6.578 1.00 0.00 C ATOM 218 C HIS A 34 -7.801 -21.764 6.494 1.00 0.00 C ATOM 219 O HIS A 34 -8.575 -21.340 7.354 1.00 0.00 O ATOM 220 CB HIS A 34 -5.934 -20.167 5.820 1.00 0.00 C ATOM 221 CG HIS A 34 -6.485 -18.928 6.482 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.689 -18.352 6.139 1.00 0.00 N ATOM 223 CD2 HIS A 34 -5.996 -18.178 7.496 1.00 0.00 C ATOM 224 CE1 HIS A 34 -7.916 -17.310 6.913 1.00 0.00 C ATOM 225 NE2 HIS A 34 -6.905 -17.184 7.743 1.00 0.00 N ATOM 0 H HIS A 34 -5.019 -22.417 5.177 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.011 -21.336 7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.850 -20.079 5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.320 -20.229 4.803 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.309 -18.682 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.062 -18.334 8.015 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.784 -16.669 6.872 1.00 0.00 H new ATOM 234 N ASN A 35 -8.192 -22.505 5.439 1.00 0.00 N ATOM 235 CA ASN A 35 -9.576 -22.984 5.225 1.00 0.00 C ATOM 236 C ASN A 35 -9.997 -23.973 6.332 1.00 0.00 C ATOM 237 O ASN A 35 -11.108 -23.874 6.870 1.00 0.00 O ATOM 238 CB ASN A 35 -9.694 -23.631 3.820 1.00 0.00 C ATOM 239 CG ASN A 35 -11.036 -24.328 3.568 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.999 -23.705 3.130 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.097 -25.632 3.821 1.00 0.00 N ATOM 0 H ASN A 35 -7.549 -22.793 4.701 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.255 -22.133 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.548 -22.861 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.890 -24.356 3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.962 -26.144 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.278 -26.120 4.185 1.00 0.00 H new ATOM 248 N ASN A 36 -9.083 -24.909 6.665 1.00 0.00 N ATOM 249 CA ASN A 36 -9.298 -25.919 7.731 1.00 0.00 C ATOM 250 C ASN A 36 -9.423 -25.231 9.114 1.00 0.00 C ATOM 251 O ASN A 36 -10.141 -25.708 9.998 1.00 0.00 O ATOM 252 CB ASN A 36 -8.130 -26.947 7.744 1.00 0.00 C ATOM 253 CG ASN A 36 -8.326 -28.101 8.746 1.00 0.00 C ATOM 254 OD1 ASN A 36 -9.448 -28.537 9.003 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.238 -28.597 9.321 1.00 0.00 N ATOM 0 H ASN A 36 -8.176 -24.988 6.205 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.228 -26.448 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.014 -27.363 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.203 -26.426 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.319 -29.359 9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.320 -28.217 9.089 1.00 0.00 H new ATOM 262 N ASP A 37 -8.712 -24.096 9.267 1.00 0.00 N ATOM 263 CA ASP A 37 -8.755 -23.246 10.483 1.00 0.00 C ATOM 264 C ASP A 37 -10.146 -22.588 10.646 1.00 0.00 C ATOM 265 O ASP A 37 -10.639 -22.420 11.770 1.00 0.00 O ATOM 266 CB ASP A 37 -7.646 -22.156 10.378 1.00 0.00 C ATOM 267 CG ASP A 37 -7.573 -21.199 11.589 1.00 0.00 C ATOM 268 OD1 ASP A 37 -6.865 -21.520 12.566 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.181 -20.102 11.551 1.00 0.00 O ATOM 0 H ASP A 37 -8.085 -23.737 8.547 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.577 -23.866 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.680 -22.648 10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.816 -21.568 9.476 1.00 0.00 H new ATOM 274 N GLY A 38 -10.772 -22.246 9.501 1.00 0.00 N ATOM 275 CA GLY A 38 -12.108 -21.624 9.470 1.00 0.00 C ATOM 276 C GLY A 38 -12.153 -20.348 8.635 1.00 0.00 C ATOM 277 O GLY A 38 -13.015 -19.483 8.856 1.00 0.00 O ATOM 0 H GLY A 38 -10.366 -22.393 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.826 -22.339 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.420 -21.396 10.489 1.00 0.00 H new ATOM 281 N GLY A 39 -11.232 -20.242 7.662 1.00 0.00 N ATOM 282 CA GLY A 39 -11.122 -19.075 6.787 1.00 0.00 C ATOM 283 C GLY A 39 -10.956 -19.505 5.345 1.00 0.00 C ATOM 284 O GLY A 39 -9.844 -19.845 4.929 1.00 0.00 O ATOM 0 H GLY A 39 -10.544 -20.968 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.012 -18.454 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.271 -18.465 7.091 1.00 0.00 H new ATOM 288 N PHE A 40 -12.047 -19.464 4.567 1.00 0.00 N ATOM 289 CA PHE A 40 -12.077 -20.041 3.217 1.00 0.00 C ATOM 290 C PHE A 40 -11.303 -19.113 2.268 1.00 0.00 C ATOM 291 O PHE A 40 -11.774 -18.033 1.937 1.00 0.00 O ATOM 292 CB PHE A 40 -13.558 -20.221 2.747 1.00 0.00 C ATOM 293 CG PHE A 40 -13.756 -21.118 1.503 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.244 -20.761 0.246 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.467 -22.321 1.591 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.436 -21.564 -0.864 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.654 -23.123 0.475 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.139 -22.745 -0.749 1.00 0.00 C ATOM 0 H PHE A 40 -12.926 -19.034 4.853 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.606 -21.024 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.134 -20.641 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -13.976 -19.237 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -12.689 -19.840 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.876 -22.629 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.035 -21.266 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.205 -24.048 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.286 -23.373 -1.615 1.00 0.00 H new ATOM 308 N TRP A 41 -10.110 -19.554 1.850 1.00 0.00 N ATOM 309 CA TRP A 41 -9.255 -18.823 0.903 1.00 0.00 C ATOM 310 C TRP A 41 -9.347 -19.466 -0.484 1.00 0.00 C ATOM 311 O TRP A 41 -9.236 -20.691 -0.624 1.00 0.00 O ATOM 312 CB TRP A 41 -7.781 -18.779 1.413 1.00 0.00 C ATOM 313 CG TRP A 41 -7.496 -17.705 2.442 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.396 -16.850 3.006 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.222 -17.360 3.005 1.00 0.00 C ATOM 316 NE1 TRP A 41 -7.770 -16.006 3.878 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.436 -16.292 3.893 1.00 0.00 C ATOM 318 CE3 TRP A 41 -4.924 -17.848 2.844 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.406 -15.700 4.619 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -3.901 -17.260 3.568 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.147 -16.194 4.443 1.00 0.00 C ATOM 0 H TRP A 41 -9.706 -20.437 2.162 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.606 -17.794 0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.531 -19.749 1.842 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.120 -18.629 0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.455 -16.842 2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.226 -15.279 4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.722 -18.667 2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.597 -14.880 5.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.893 -17.631 3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.324 -15.755 4.988 1.00 0.00 H new ATOM 332 N THR A 42 -9.558 -18.616 -1.494 1.00 0.00 N ATOM 333 CA THR A 42 -9.619 -18.996 -2.910 1.00 0.00 C ATOM 334 C THR A 42 -8.653 -18.107 -3.712 1.00 0.00 C ATOM 335 O THR A 42 -8.461 -16.928 -3.383 1.00 0.00 O ATOM 336 CB THR A 42 -11.078 -18.858 -3.469 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.145 -19.346 -4.818 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.591 -17.405 -3.433 1.00 0.00 C ATOM 0 H THR A 42 -9.695 -17.616 -1.345 1.00 0.00 H new ATOM 0 HA THR A 42 -9.324 -20.041 -3.009 1.00 0.00 H new ATOM 0 HB THR A 42 -11.717 -19.456 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.061 -19.255 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.605 -17.367 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.591 -17.045 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.940 -16.774 -4.038 1.00 0.00 H new ATOM 346 N VAL A 43 -8.024 -18.680 -4.748 1.00 0.00 N ATOM 347 CA VAL A 43 -7.140 -17.924 -5.651 1.00 0.00 C ATOM 348 C VAL A 43 -7.914 -17.483 -6.906 1.00 0.00 C ATOM 349 O VAL A 43 -8.331 -18.313 -7.720 1.00 0.00 O ATOM 350 CB VAL A 43 -5.832 -18.716 -6.039 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.117 -20.183 -6.449 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.045 -17.960 -7.144 1.00 0.00 C ATOM 0 H VAL A 43 -8.111 -19.669 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.807 -17.040 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.212 -18.768 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.180 -20.678 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.589 -20.708 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.782 -20.197 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.146 -18.521 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.671 -17.856 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.765 -16.972 -6.780 1.00 0.00 H new ATOM 362 N ILE A 44 -8.119 -16.164 -7.034 1.00 0.00 N ATOM 363 CA ILE A 44 -8.785 -15.549 -8.189 1.00 0.00 C ATOM 364 C ILE A 44 -7.832 -14.520 -8.833 1.00 0.00 C ATOM 365 O ILE A 44 -7.415 -13.565 -8.169 1.00 0.00 O ATOM 366 CB ILE A 44 -10.135 -14.844 -7.772 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.078 -15.835 -7.007 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.850 -14.242 -9.006 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.362 -15.225 -6.467 1.00 0.00 C ATOM 0 H ILE A 44 -7.823 -15.488 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.029 -16.334 -8.905 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.888 -14.027 -7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.338 -16.654 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.523 -16.269 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.777 -13.762 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.202 -13.504 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.076 -15.035 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.943 -15.993 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.119 -14.427 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.946 -14.818 -7.292 1.00 0.00 H new ATOM 381 N ASP A 45 -7.474 -14.761 -10.113 1.00 0.00 N ATOM 382 CA ASP A 45 -6.706 -13.819 -10.973 1.00 0.00 C ATOM 383 C ASP A 45 -5.276 -13.526 -10.414 1.00 0.00 C ATOM 384 O ASP A 45 -4.717 -12.439 -10.600 1.00 0.00 O ATOM 385 CB ASP A 45 -7.548 -12.518 -11.206 1.00 0.00 C ATOM 386 CG ASP A 45 -6.983 -11.585 -12.293 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.773 -12.050 -13.433 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.737 -10.395 -12.011 1.00 0.00 O ATOM 0 H ASP A 45 -7.712 -15.630 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.536 -14.292 -11.940 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.565 -12.801 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.611 -11.967 -10.268 1.00 0.00 H new ATOM 393 N GLY A 46 -4.679 -14.537 -9.759 1.00 0.00 N ATOM 394 CA GLY A 46 -3.317 -14.422 -9.199 1.00 0.00 C ATOM 395 C GLY A 46 -3.276 -13.773 -7.813 1.00 0.00 C ATOM 396 O GLY A 46 -2.196 -13.488 -7.280 1.00 0.00 O ATOM 0 H GLY A 46 -5.117 -15.445 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.873 -15.416 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.700 -13.838 -9.883 1.00 0.00 H new ATOM 400 N LYS A 47 -4.458 -13.541 -7.237 1.00 0.00 N ATOM 401 CA LYS A 47 -4.626 -12.991 -5.882 1.00 0.00 C ATOM 402 C LYS A 47 -5.350 -14.018 -5.020 1.00 0.00 C ATOM 403 O LYS A 47 -5.981 -14.934 -5.545 1.00 0.00 O ATOM 404 CB LYS A 47 -5.454 -11.681 -5.937 1.00 0.00 C ATOM 405 CG LYS A 47 -4.863 -10.574 -6.823 1.00 0.00 C ATOM 406 CD LYS A 47 -3.610 -9.916 -6.210 1.00 0.00 C ATOM 407 CE LYS A 47 -2.976 -8.892 -7.160 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.958 -7.870 -7.613 1.00 0.00 N ATOM 0 H LYS A 47 -5.344 -13.732 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.648 -12.769 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.455 -11.917 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.562 -11.295 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.607 -10.993 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.621 -9.810 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.879 -9.425 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.878 -10.686 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.144 -8.398 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.564 -9.408 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.459 -7.106 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.647 -8.311 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.456 -7.478 -6.789 1.00 0.00 H new ATOM 422 N VAL A 48 -5.260 -13.861 -3.697 1.00 0.00 N ATOM 423 CA VAL A 48 -5.991 -14.698 -2.737 1.00 0.00 C ATOM 424 C VAL A 48 -7.023 -13.832 -2.005 1.00 0.00 C ATOM 425 O VAL A 48 -6.683 -12.792 -1.429 1.00 0.00 O ATOM 426 CB VAL A 48 -5.031 -15.404 -1.713 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.818 -16.263 -0.676 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.990 -16.259 -2.469 1.00 0.00 C ATOM 0 H VAL A 48 -4.677 -13.148 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.496 -15.492 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.509 -14.630 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.117 -16.734 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.502 -15.623 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.386 -17.033 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.328 -16.745 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.503 -17.017 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.403 -15.619 -3.128 1.00 0.00 H new ATOM 438 N TYR A 49 -8.286 -14.267 -2.073 1.00 0.00 N ATOM 439 CA TYR A 49 -9.428 -13.606 -1.421 1.00 0.00 C ATOM 440 C TYR A 49 -10.046 -14.556 -0.397 1.00 0.00 C ATOM 441 O TYR A 49 -9.901 -15.778 -0.516 1.00 0.00 O ATOM 442 CB TYR A 49 -10.500 -13.212 -2.469 1.00 0.00 C ATOM 443 CG TYR A 49 -9.990 -12.277 -3.575 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.360 -12.789 -4.709 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.117 -10.887 -3.479 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.882 -11.956 -5.694 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.627 -10.054 -4.469 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.012 -10.593 -5.569 1.00 0.00 C ATOM 449 OH TYR A 49 -8.502 -9.766 -6.549 1.00 0.00 O ATOM 0 H TYR A 49 -8.551 -15.104 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.074 -12.702 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.892 -14.119 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.332 -12.729 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.245 -13.858 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.606 -10.457 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.404 -12.374 -6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.729 -8.983 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.677 -8.831 -6.312 1.00 0.00 H new ATOM 459 N ASP A 50 -10.741 -14.001 0.604 1.00 0.00 N ATOM 460 CA ASP A 50 -11.505 -14.810 1.567 1.00 0.00 C ATOM 461 C ASP A 50 -12.993 -14.827 1.162 1.00 0.00 C ATOM 462 O ASP A 50 -13.520 -13.841 0.630 1.00 0.00 O ATOM 463 CB ASP A 50 -11.311 -14.290 3.016 1.00 0.00 C ATOM 464 CG ASP A 50 -11.730 -15.331 4.081 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.931 -15.586 4.211 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.859 -15.904 4.777 1.00 0.00 O ATOM 0 H ASP A 50 -10.791 -12.996 0.770 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.130 -15.833 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.265 -14.023 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.895 -13.380 3.153 1.00 0.00 H new ATOM 471 N ILE A 51 -13.667 -15.956 1.441 1.00 0.00 N ATOM 472 CA ILE A 51 -15.044 -16.232 0.997 1.00 0.00 C ATOM 473 C ILE A 51 -16.030 -16.197 2.174 1.00 0.00 C ATOM 474 O ILE A 51 -17.169 -15.772 1.996 1.00 0.00 O ATOM 475 CB ILE A 51 -15.109 -17.604 0.213 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.393 -17.471 -1.170 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.551 -18.155 0.043 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.985 -16.415 -2.099 1.00 0.00 C ATOM 0 H ILE A 51 -13.263 -16.715 1.990 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.347 -15.442 0.310 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.583 -18.337 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.343 -17.236 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.425 -18.437 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.518 -19.098 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.996 -18.320 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.153 -17.435 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.423 -16.396 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.027 -16.657 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.928 -15.437 -1.621 1.00 0.00 H new ATOM 490 N LYS A 52 -15.607 -16.614 3.379 1.00 0.00 N ATOM 491 CA LYS A 52 -16.486 -16.523 4.568 1.00 0.00 C ATOM 492 C LYS A 52 -16.614 -15.043 5.025 1.00 0.00 C ATOM 493 O LYS A 52 -17.650 -14.645 5.553 1.00 0.00 O ATOM 494 CB LYS A 52 -16.048 -17.514 5.707 1.00 0.00 C ATOM 495 CG LYS A 52 -14.600 -17.400 6.249 1.00 0.00 C ATOM 496 CD LYS A 52 -14.387 -16.248 7.261 1.00 0.00 C ATOM 497 CE LYS A 52 -12.919 -16.078 7.675 1.00 0.00 C ATOM 498 NZ LYS A 52 -12.753 -15.014 8.683 1.00 0.00 N ATOM 0 H LYS A 52 -14.684 -17.010 3.559 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.488 -16.853 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.731 -17.382 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.188 -18.530 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.328 -18.342 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.920 -17.260 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.746 -15.316 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.990 -16.436 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.543 -17.020 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.319 -15.843 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.748 -14.930 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.088 -14.110 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.306 -15.251 9.532 1.00 0.00 H new ATOM 512 N ASP A 53 -15.555 -14.240 4.765 1.00 0.00 N ATOM 513 CA ASP A 53 -15.555 -12.772 4.969 1.00 0.00 C ATOM 514 C ASP A 53 -16.447 -12.077 3.924 1.00 0.00 C ATOM 515 O ASP A 53 -17.157 -11.109 4.243 1.00 0.00 O ATOM 516 CB ASP A 53 -14.103 -12.205 4.900 1.00 0.00 C ATOM 517 CG ASP A 53 -13.226 -12.545 6.124 1.00 0.00 C ATOM 518 OD1 ASP A 53 -13.763 -12.669 7.244 1.00 0.00 O ATOM 519 OD2 ASP A 53 -11.992 -12.664 5.974 1.00 0.00 O ATOM 0 H ASP A 53 -14.670 -14.596 4.405 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.960 -12.570 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.618 -12.590 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.154 -11.121 4.795 1.00 0.00 H new ATOM 524 N PHE A 54 -16.387 -12.589 2.673 1.00 0.00 N ATOM 525 CA PHE A 54 -17.291 -12.190 1.574 1.00 0.00 C ATOM 526 C PHE A 54 -18.760 -12.354 2.018 1.00 0.00 C ATOM 527 O PHE A 54 -19.540 -11.407 1.989 1.00 0.00 O ATOM 528 CB PHE A 54 -16.973 -13.064 0.318 1.00 0.00 C ATOM 529 CG PHE A 54 -17.875 -12.880 -0.913 1.00 0.00 C ATOM 530 CD1 PHE A 54 -19.169 -13.420 -0.953 1.00 0.00 C ATOM 531 CD2 PHE A 54 -17.427 -12.196 -2.039 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.973 -13.275 -2.063 1.00 0.00 C ATOM 533 CE2 PHE A 54 -18.236 -12.057 -3.153 1.00 0.00 C ATOM 534 CZ PHE A 54 -19.505 -12.595 -3.163 1.00 0.00 C ATOM 0 H PHE A 54 -15.705 -13.295 2.398 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.138 -11.141 1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.945 -12.861 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.017 -14.112 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.543 -13.961 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.435 -11.768 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.968 -13.694 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.871 -11.524 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 54 -20.132 -12.482 -4.035 1.00 0.00 H new ATOM 544 N GLN A 55 -19.090 -13.568 2.474 1.00 0.00 N ATOM 545 CA GLN A 55 -20.467 -13.972 2.822 1.00 0.00 C ATOM 546 C GLN A 55 -21.008 -13.215 4.046 1.00 0.00 C ATOM 547 O GLN A 55 -22.222 -13.019 4.165 1.00 0.00 O ATOM 548 CB GLN A 55 -20.530 -15.497 3.032 1.00 0.00 C ATOM 549 CG GLN A 55 -20.232 -16.315 1.764 1.00 0.00 C ATOM 550 CD GLN A 55 -20.267 -17.826 1.999 1.00 0.00 C ATOM 551 OE1 GLN A 55 -19.254 -18.439 2.339 1.00 0.00 O ATOM 552 NE2 GLN A 55 -21.431 -18.432 1.829 1.00 0.00 N ATOM 0 H GLN A 55 -18.404 -14.310 2.615 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.114 -13.704 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -19.818 -15.776 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -21.522 -15.762 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -20.959 -16.057 0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -19.250 -16.036 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -22.250 -17.893 1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -21.509 -19.438 1.980 1.00 0.00 H new ATOM 561 N THR A 56 -20.100 -12.802 4.947 1.00 0.00 N ATOM 562 CA THR A 56 -20.439 -11.912 6.080 1.00 0.00 C ATOM 563 C THR A 56 -21.043 -10.586 5.556 1.00 0.00 C ATOM 564 O THR A 56 -22.100 -10.136 6.020 1.00 0.00 O ATOM 565 CB THR A 56 -19.175 -11.623 6.965 1.00 0.00 C ATOM 566 OG1 THR A 56 -18.639 -12.860 7.458 1.00 0.00 O ATOM 567 CG2 THR A 56 -19.476 -10.690 8.161 1.00 0.00 C ATOM 0 H THR A 56 -19.117 -13.071 4.915 1.00 0.00 H new ATOM 0 HA THR A 56 -21.179 -12.417 6.701 1.00 0.00 H new ATOM 0 HB THR A 56 -18.453 -11.113 6.327 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.325 -13.404 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.563 -10.528 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.847 -9.734 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.230 -11.150 8.800 1.00 0.00 H new ATOM 575 N GLN A 57 -20.365 -9.994 4.555 1.00 0.00 N ATOM 576 CA GLN A 57 -20.804 -8.753 3.897 1.00 0.00 C ATOM 577 C GLN A 57 -21.950 -9.017 2.897 1.00 0.00 C ATOM 578 O GLN A 57 -22.658 -8.092 2.508 1.00 0.00 O ATOM 579 CB GLN A 57 -19.596 -8.083 3.188 1.00 0.00 C ATOM 580 CG GLN A 57 -18.435 -7.672 4.129 1.00 0.00 C ATOM 581 CD GLN A 57 -18.840 -6.665 5.208 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.738 -5.846 5.018 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.171 -6.710 6.345 1.00 0.00 N ATOM 0 H GLN A 57 -19.493 -10.367 4.179 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.191 -8.077 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.209 -8.769 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.948 -7.197 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.037 -8.565 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.629 -7.245 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.431 -7.400 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.394 -6.055 7.094 1.00 0.00 H new ATOM 592 N SER A 58 -22.128 -10.287 2.480 1.00 0.00 N ATOM 593 CA SER A 58 -23.226 -10.683 1.572 1.00 0.00 C ATOM 594 C SER A 58 -24.564 -10.738 2.318 1.00 0.00 C ATOM 595 O SER A 58 -25.626 -10.604 1.706 1.00 0.00 O ATOM 596 CB SER A 58 -22.909 -12.021 0.867 1.00 0.00 C ATOM 597 OG SER A 58 -23.890 -12.354 -0.108 1.00 0.00 O ATOM 0 H SER A 58 -21.523 -11.060 2.759 1.00 0.00 H new ATOM 0 HA SER A 58 -23.316 -9.921 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 58 -21.931 -11.957 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.850 -12.817 1.609 1.00 0.00 H new ATOM 0 HG SER A 58 -24.105 -11.560 -0.641 1.00 0.00 H new ATOM 603 N LEU A 59 -24.502 -10.896 3.655 1.00 0.00 N ATOM 604 CA LEU A 59 -25.687 -10.815 4.530 1.00 0.00 C ATOM 605 C LEU A 59 -26.011 -9.339 4.893 1.00 0.00 C ATOM 606 O LEU A 59 -26.888 -9.080 5.720 1.00 0.00 O ATOM 607 CB LEU A 59 -25.459 -11.674 5.812 1.00 0.00 C ATOM 608 CG LEU A 59 -25.183 -13.197 5.569 1.00 0.00 C ATOM 609 CD1 LEU A 59 -24.988 -13.962 6.899 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.290 -13.846 4.703 1.00 0.00 C ATOM 0 H LEU A 59 -23.633 -11.082 4.156 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.547 -11.215 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.617 -11.255 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -26.337 -11.580 6.451 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.248 -13.268 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.799 -15.015 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -24.140 -13.542 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -25.888 -13.869 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.064 -14.902 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -27.251 -13.747 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.335 -13.346 3.735 1.00 0.00 H new ATOM 622 N THR A 60 -25.306 -8.375 4.260 1.00 0.00 N ATOM 623 CA THR A 60 -25.530 -6.932 4.454 1.00 0.00 C ATOM 624 C THR A 60 -26.250 -6.345 3.214 1.00 0.00 C ATOM 625 O THR A 60 -25.861 -6.641 2.077 1.00 0.00 O ATOM 626 CB THR A 60 -24.166 -6.215 4.696 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.447 -6.881 5.749 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.329 -4.728 5.053 1.00 0.00 C ATOM 0 H THR A 60 -24.560 -8.582 3.596 1.00 0.00 H new ATOM 0 HA THR A 60 -26.162 -6.773 5.328 1.00 0.00 H new ATOM 0 HB THR A 60 -23.610 -6.266 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.590 -6.429 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.347 -4.282 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.836 -4.212 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.920 -4.635 5.964 1.00 0.00 H new ATOM 636 N GLU A 61 -27.291 -5.520 3.450 1.00 0.00 N ATOM 637 CA GLU A 61 -28.177 -4.991 2.389 1.00 0.00 C ATOM 638 C GLU A 61 -27.511 -3.865 1.560 1.00 0.00 C ATOM 639 O GLU A 61 -27.674 -3.815 0.338 1.00 0.00 O ATOM 640 CB GLU A 61 -29.514 -4.494 3.012 1.00 0.00 C ATOM 641 CG GLU A 61 -29.350 -3.422 4.114 1.00 0.00 C ATOM 642 CD GLU A 61 -30.678 -2.856 4.633 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.297 -3.473 5.531 1.00 0.00 O ATOM 644 OE2 GLU A 61 -31.108 -1.783 4.155 1.00 0.00 O ATOM 0 H GLU A 61 -27.543 -5.200 4.385 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.379 -5.809 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.141 -4.088 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.045 -5.349 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -28.800 -3.855 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -28.745 -2.603 3.724 1.00 0.00 H new ATOM 651 N ASN A 62 -26.765 -2.964 2.236 1.00 0.00 N ATOM 652 CA ASN A 62 -26.087 -1.809 1.583 1.00 0.00 C ATOM 653 C ASN A 62 -24.742 -2.215 0.946 1.00 0.00 C ATOM 654 O ASN A 62 -24.054 -1.374 0.358 1.00 0.00 O ATOM 655 CB ASN A 62 -25.908 -0.628 2.590 1.00 0.00 C ATOM 656 CG ASN A 62 -27.219 0.129 2.864 1.00 0.00 C ATOM 657 OD1 ASN A 62 -27.531 1.115 2.199 1.00 0.00 O ATOM 658 ND2 ASN A 62 -28.000 -0.331 3.830 1.00 0.00 N ATOM 0 H ASN A 62 -26.613 -3.011 3.243 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.730 -1.467 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -25.515 -1.015 3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.167 0.069 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -28.884 0.135 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.718 -1.151 4.367 1.00 0.00 H new ATOM 665 N SER A 63 -24.384 -3.504 1.046 1.00 0.00 N ATOM 666 CA SER A 63 -23.241 -4.066 0.322 1.00 0.00 C ATOM 667 C SER A 63 -23.645 -4.395 -1.124 1.00 0.00 C ATOM 668 O SER A 63 -24.813 -4.708 -1.401 1.00 0.00 O ATOM 669 CB SER A 63 -22.736 -5.344 1.029 1.00 0.00 C ATOM 670 OG SER A 63 -22.279 -5.061 2.335 1.00 0.00 O ATOM 0 H SER A 63 -24.878 -4.180 1.628 1.00 0.00 H new ATOM 0 HA SER A 63 -22.438 -3.329 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.540 -6.079 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.929 -5.789 0.447 1.00 0.00 H new ATOM 0 HG SER A 63 -21.689 -5.782 2.639 1.00 0.00 H new ATOM 676 N ILE A 64 -22.658 -4.331 -2.030 1.00 0.00 N ATOM 677 CA ILE A 64 -22.796 -4.803 -3.424 1.00 0.00 C ATOM 678 C ILE A 64 -23.253 -6.279 -3.466 1.00 0.00 C ATOM 679 O ILE A 64 -23.974 -6.680 -4.365 1.00 0.00 O ATOM 680 CB ILE A 64 -21.442 -4.665 -4.217 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.280 -5.348 -3.423 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.129 -3.177 -4.537 1.00 0.00 C ATOM 683 CD1 ILE A 64 -19.003 -5.534 -4.192 1.00 0.00 C ATOM 0 H ILE A 64 -21.736 -3.949 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.550 -4.174 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.542 -5.179 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.068 -4.751 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.622 -6.323 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.189 -3.113 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.932 -2.759 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.046 -2.614 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.261 -6.015 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -19.192 -6.159 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.628 -4.563 -4.516 1.00 0.00 H new ATOM 695 N LEU A 65 -22.852 -7.052 -2.435 1.00 0.00 N ATOM 696 CA LEU A 65 -23.069 -8.512 -2.356 1.00 0.00 C ATOM 697 C LEU A 65 -24.532 -8.889 -2.051 1.00 0.00 C ATOM 698 O LEU A 65 -24.865 -10.080 -1.969 1.00 0.00 O ATOM 699 CB LEU A 65 -22.107 -9.101 -1.304 1.00 0.00 C ATOM 700 CG LEU A 65 -20.603 -8.759 -1.486 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.734 -9.475 -0.437 1.00 0.00 C ATOM 702 CD2 LEU A 65 -20.135 -9.057 -2.926 1.00 0.00 C ATOM 0 H LEU A 65 -22.362 -6.675 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.857 -8.940 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.421 -8.754 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.215 -10.186 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.481 -7.688 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.687 -9.214 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.041 -9.165 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.858 -10.553 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.078 -8.808 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.280 -10.115 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.715 -8.459 -3.628 1.00 0.00 H new ATOM 714 N ALA A 66 -25.390 -7.865 -1.882 1.00 0.00 N ATOM 715 CA ALA A 66 -26.848 -8.034 -1.756 1.00 0.00 C ATOM 716 C ALA A 66 -27.452 -8.604 -3.060 1.00 0.00 C ATOM 717 O ALA A 66 -28.314 -9.488 -3.024 1.00 0.00 O ATOM 718 CB ALA A 66 -27.499 -6.690 -1.395 1.00 0.00 C ATOM 0 H ALA A 66 -25.088 -6.892 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 66 -27.050 -8.748 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.577 -6.821 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.095 -6.333 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.287 -5.961 -2.178 1.00 0.00 H new ATOM 724 N GLN A 67 -26.963 -8.095 -4.213 1.00 0.00 N ATOM 725 CA GLN A 67 -27.415 -8.543 -5.555 1.00 0.00 C ATOM 726 C GLN A 67 -26.790 -9.911 -5.921 1.00 0.00 C ATOM 727 O GLN A 67 -27.300 -10.620 -6.789 1.00 0.00 O ATOM 728 CB GLN A 67 -27.062 -7.474 -6.639 1.00 0.00 C ATOM 729 CG GLN A 67 -25.553 -7.336 -6.940 1.00 0.00 C ATOM 730 CD GLN A 67 -25.179 -6.101 -7.761 1.00 0.00 C ATOM 731 OE1 GLN A 67 -25.106 -6.150 -8.985 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.962 -4.978 -7.087 1.00 0.00 N ATOM 0 H GLN A 67 -26.249 -7.367 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.498 -8.661 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.582 -7.728 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.444 -6.506 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -25.009 -7.307 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -25.219 -8.226 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.031 -4.973 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.726 -4.121 -7.587 1.00 0.00 H new ATOM 741 N PHE A 68 -25.668 -10.261 -5.251 1.00 0.00 N ATOM 742 CA PHE A 68 -24.931 -11.528 -5.472 1.00 0.00 C ATOM 743 C PHE A 68 -25.413 -12.638 -4.501 1.00 0.00 C ATOM 744 O PHE A 68 -24.869 -13.748 -4.514 1.00 0.00 O ATOM 745 CB PHE A 68 -23.399 -11.281 -5.301 1.00 0.00 C ATOM 746 CG PHE A 68 -22.780 -10.327 -6.341 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.644 -10.718 -7.673 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.326 -9.052 -5.990 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.078 -9.868 -8.612 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.763 -8.206 -6.930 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.640 -8.615 -8.240 1.00 0.00 C ATOM 0 H PHE A 68 -25.245 -9.668 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.130 -11.870 -6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.219 -10.877 -4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.882 -12.239 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.984 -11.697 -7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -22.416 -8.721 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.980 -10.189 -9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.420 -7.225 -6.636 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.201 -7.955 -8.974 1.00 0.00 H new ATOM 761 N ALA A 69 -26.430 -12.329 -3.665 1.00 0.00 N ATOM 762 CA ALA A 69 -27.023 -13.300 -2.718 1.00 0.00 C ATOM 763 C ALA A 69 -27.786 -14.402 -3.486 1.00 0.00 C ATOM 764 O ALA A 69 -28.800 -14.116 -4.136 1.00 0.00 O ATOM 765 CB ALA A 69 -27.959 -12.576 -1.740 1.00 0.00 C ATOM 0 H ALA A 69 -26.861 -11.405 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.222 -13.772 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.391 -13.298 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.394 -11.830 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.757 -12.085 -2.296 1.00 0.00 H new ATOM 771 N GLY A 70 -27.263 -15.641 -3.445 1.00 0.00 N ATOM 772 CA GLY A 70 -27.825 -16.776 -4.200 1.00 0.00 C ATOM 773 C GLY A 70 -26.876 -17.263 -5.286 1.00 0.00 C ATOM 774 O GLY A 70 -26.882 -18.445 -5.644 1.00 0.00 O ATOM 0 H GLY A 70 -26.442 -15.883 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.043 -17.595 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.771 -16.478 -4.652 1.00 0.00 H new ATOM 778 N GLU A 71 -26.062 -16.333 -5.806 1.00 0.00 N ATOM 779 CA GLU A 71 -24.988 -16.635 -6.768 1.00 0.00 C ATOM 780 C GLU A 71 -23.760 -17.183 -6.007 1.00 0.00 C ATOM 781 O GLU A 71 -23.570 -16.847 -4.831 1.00 0.00 O ATOM 782 CB GLU A 71 -24.624 -15.347 -7.566 1.00 0.00 C ATOM 783 CG GLU A 71 -23.628 -15.556 -8.725 1.00 0.00 C ATOM 784 CD GLU A 71 -24.131 -16.561 -9.781 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.940 -16.172 -10.647 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.747 -17.752 -9.735 1.00 0.00 O ATOM 0 H GLU A 71 -26.129 -15.343 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.323 -17.392 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.541 -14.916 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.205 -14.616 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.435 -14.598 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.678 -15.907 -8.321 1.00 0.00 H new ATOM 793 N ASP A 72 -22.944 -18.033 -6.671 1.00 0.00 N ATOM 794 CA ASP A 72 -21.750 -18.650 -6.045 1.00 0.00 C ATOM 795 C ASP A 72 -20.767 -17.546 -5.563 1.00 0.00 C ATOM 796 O ASP A 72 -20.417 -16.673 -6.357 1.00 0.00 O ATOM 797 CB ASP A 72 -21.052 -19.605 -7.048 1.00 0.00 C ATOM 798 CG ASP A 72 -19.760 -20.237 -6.495 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.854 -21.203 -5.715 1.00 0.00 O ATOM 800 OD2 ASP A 72 -18.651 -19.779 -6.846 1.00 0.00 O ATOM 0 H ASP A 72 -23.090 -18.308 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.066 -19.232 -5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.746 -20.399 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.817 -19.054 -7.959 1.00 0.00 H new ATOM 805 N PRO A 73 -20.332 -17.559 -4.252 1.00 0.00 N ATOM 806 CA PRO A 73 -19.491 -16.482 -3.658 1.00 0.00 C ATOM 807 C PRO A 73 -18.187 -16.201 -4.433 1.00 0.00 C ATOM 808 O PRO A 73 -17.741 -15.050 -4.525 1.00 0.00 O ATOM 809 CB PRO A 73 -19.188 -16.997 -2.224 1.00 0.00 C ATOM 810 CG PRO A 73 -20.313 -17.932 -1.925 1.00 0.00 C ATOM 811 CD PRO A 73 -20.650 -18.600 -3.240 1.00 0.00 C ATOM 0 HA PRO A 73 -20.013 -15.525 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.225 -17.505 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.150 -16.177 -1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.022 -18.668 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.174 -17.395 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.059 -19.503 -3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.699 -18.894 -3.283 1.00 0.00 H new ATOM 819 N VAL A 74 -17.599 -17.268 -5.001 1.00 0.00 N ATOM 820 CA VAL A 74 -16.341 -17.175 -5.754 1.00 0.00 C ATOM 821 C VAL A 74 -16.589 -16.512 -7.125 1.00 0.00 C ATOM 822 O VAL A 74 -15.911 -15.551 -7.465 1.00 0.00 O ATOM 823 CB VAL A 74 -15.650 -18.580 -5.930 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.310 -18.458 -6.703 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.447 -19.276 -4.555 1.00 0.00 C ATOM 0 H VAL A 74 -17.981 -18.212 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.656 -16.553 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.315 -19.205 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.859 -19.445 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.497 -18.038 -7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.631 -17.805 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.968 -20.244 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.816 -18.653 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.414 -19.420 -4.074 1.00 0.00 H new ATOM 835 N VAL A 75 -17.607 -17.000 -7.875 1.00 0.00 N ATOM 836 CA VAL A 75 -17.915 -16.496 -9.245 1.00 0.00 C ATOM 837 C VAL A 75 -18.452 -15.049 -9.198 1.00 0.00 C ATOM 838 O VAL A 75 -18.287 -14.277 -10.150 1.00 0.00 O ATOM 839 CB VAL A 75 -18.943 -17.428 -10.004 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.400 -17.191 -9.553 1.00 0.00 C ATOM 841 CG2 VAL A 75 -18.822 -17.296 -11.538 1.00 0.00 C ATOM 0 H VAL A 75 -18.231 -17.742 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 75 -16.977 -16.508 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.677 -18.449 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.064 -17.856 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.488 -17.394 -8.486 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -20.678 -16.155 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.547 -17.954 -12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.018 -16.265 -11.831 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -17.816 -17.576 -11.849 1.00 0.00 H new ATOM 851 N ALA A 76 -19.100 -14.718 -8.071 1.00 0.00 N ATOM 852 CA ALA A 76 -19.641 -13.384 -7.797 1.00 0.00 C ATOM 853 C ALA A 76 -18.492 -12.396 -7.566 1.00 0.00 C ATOM 854 O ALA A 76 -18.560 -11.242 -7.979 1.00 0.00 O ATOM 855 CB ALA A 76 -20.570 -13.451 -6.575 1.00 0.00 C ATOM 0 H ALA A 76 -19.264 -15.382 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.220 -13.035 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.973 -12.459 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.389 -14.141 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.008 -13.800 -5.709 1.00 0.00 H new ATOM 861 N LEU A 77 -17.430 -12.899 -6.912 1.00 0.00 N ATOM 862 CA LEU A 77 -16.188 -12.151 -6.652 1.00 0.00 C ATOM 863 C LEU A 77 -15.387 -11.971 -7.975 1.00 0.00 C ATOM 864 O LEU A 77 -14.811 -10.908 -8.216 1.00 0.00 O ATOM 865 CB LEU A 77 -15.373 -12.904 -5.549 1.00 0.00 C ATOM 866 CG LEU A 77 -14.342 -12.078 -4.698 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.926 -12.861 -3.429 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.097 -11.634 -5.513 1.00 0.00 C ATOM 0 H LEU A 77 -17.411 -13.850 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.408 -11.149 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.085 -13.359 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.831 -13.718 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.851 -11.163 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.212 -12.271 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.807 -13.059 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.466 -13.806 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.424 -11.068 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.580 -12.514 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.413 -11.008 -6.347 1.00 0.00 H new ATOM 880 N GLU A 78 -15.398 -13.020 -8.831 1.00 0.00 N ATOM 881 CA GLU A 78 -14.692 -13.035 -10.142 1.00 0.00 C ATOM 882 C GLU A 78 -15.286 -11.978 -11.099 1.00 0.00 C ATOM 883 O GLU A 78 -14.555 -11.165 -11.686 1.00 0.00 O ATOM 884 CB GLU A 78 -14.783 -14.452 -10.786 1.00 0.00 C ATOM 885 CG GLU A 78 -14.059 -15.566 -10.003 1.00 0.00 C ATOM 886 CD GLU A 78 -14.126 -16.936 -10.692 1.00 0.00 C ATOM 887 OE1 GLU A 78 -13.290 -17.205 -11.585 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.016 -17.744 -10.358 1.00 0.00 O ATOM 0 H GLU A 78 -15.899 -13.886 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.644 -12.790 -9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.834 -14.723 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.367 -14.406 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.014 -15.286 -9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.498 -15.646 -9.009 1.00 0.00 H new ATOM 895 N ALA A 79 -16.625 -11.992 -11.212 1.00 0.00 N ATOM 896 CA ALA A 79 -17.391 -11.029 -12.029 1.00 0.00 C ATOM 897 C ALA A 79 -17.296 -9.608 -11.442 1.00 0.00 C ATOM 898 O ALA A 79 -17.362 -8.612 -12.172 1.00 0.00 O ATOM 899 CB ALA A 79 -18.861 -11.482 -12.138 1.00 0.00 C ATOM 0 H ALA A 79 -17.213 -12.676 -10.736 1.00 0.00 H new ATOM 0 HA ALA A 79 -16.959 -11.002 -13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.418 -10.766 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.905 -12.465 -12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.300 -11.536 -11.142 1.00 0.00 H new ATOM 905 N ALA A 80 -17.135 -9.538 -10.107 1.00 0.00 N ATOM 906 CA ALA A 80 -16.979 -8.271 -9.377 1.00 0.00 C ATOM 907 C ALA A 80 -15.621 -7.613 -9.656 1.00 0.00 C ATOM 908 O ALA A 80 -15.532 -6.390 -9.700 1.00 0.00 O ATOM 909 CB ALA A 80 -17.168 -8.483 -7.876 1.00 0.00 C ATOM 0 H ALA A 80 -17.110 -10.361 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.754 -7.595 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.048 -7.532 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.167 -8.876 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.424 -9.192 -7.512 1.00 0.00 H new ATOM 915 N LEU A 81 -14.565 -8.437 -9.833 1.00 0.00 N ATOM 916 CA LEU A 81 -13.216 -7.944 -10.203 1.00 0.00 C ATOM 917 C LEU A 81 -13.241 -7.276 -11.580 1.00 0.00 C ATOM 918 O LEU A 81 -12.520 -6.302 -11.820 1.00 0.00 O ATOM 919 CB LEU A 81 -12.178 -9.096 -10.193 1.00 0.00 C ATOM 920 CG LEU A 81 -11.766 -9.640 -8.791 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.714 -10.759 -8.924 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.261 -8.500 -7.874 1.00 0.00 C ATOM 0 H LEU A 81 -14.619 -9.450 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.919 -7.205 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.580 -9.924 -10.777 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.279 -8.752 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.652 -10.068 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.442 -11.123 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.128 -11.579 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.827 -10.367 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.981 -8.910 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.393 -8.023 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.052 -7.762 -7.741 1.00 0.00 H new ATOM 934 N GLN A 82 -14.068 -7.825 -12.476 1.00 0.00 N ATOM 935 CA GLN A 82 -14.300 -7.255 -13.807 1.00 0.00 C ATOM 936 C GLN A 82 -15.035 -5.901 -13.692 1.00 0.00 C ATOM 937 O GLN A 82 -14.618 -4.907 -14.298 1.00 0.00 O ATOM 938 CB GLN A 82 -15.118 -8.253 -14.671 1.00 0.00 C ATOM 939 CG GLN A 82 -15.487 -7.740 -16.081 1.00 0.00 C ATOM 940 CD GLN A 82 -16.369 -8.703 -16.874 1.00 0.00 C ATOM 941 OE1 GLN A 82 -17.161 -9.457 -16.308 1.00 0.00 O ATOM 942 NE2 GLN A 82 -16.255 -8.675 -18.193 1.00 0.00 N ATOM 0 H GLN A 82 -14.596 -8.679 -12.298 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.340 -7.079 -14.291 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.547 -9.176 -14.774 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.036 -8.504 -14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.002 -6.784 -15.987 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.571 -7.555 -16.642 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.590 -8.040 -18.634 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.832 -9.289 -18.768 1.00 0.00 H new ATOM 951 N PHE A 83 -16.112 -5.871 -12.883 1.00 0.00 N ATOM 952 CA PHE A 83 -16.990 -4.696 -12.776 1.00 0.00 C ATOM 953 C PHE A 83 -16.391 -3.643 -11.808 1.00 0.00 C ATOM 954 O PHE A 83 -16.199 -3.905 -10.618 1.00 0.00 O ATOM 955 CB PHE A 83 -18.408 -5.131 -12.349 1.00 0.00 C ATOM 956 CG PHE A 83 -19.460 -4.023 -12.420 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.651 -3.291 -13.594 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.270 -3.727 -11.328 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.614 -2.306 -13.665 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.237 -2.747 -11.403 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.408 -2.036 -12.572 1.00 0.00 C ATOM 0 H PHE A 83 -16.393 -6.653 -12.292 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.066 -4.221 -13.754 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.727 -5.958 -12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.366 -5.510 -11.328 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.037 -3.499 -14.458 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.139 -4.274 -10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.746 -1.746 -14.579 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.860 -2.536 -10.546 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.164 -1.267 -12.631 1.00 0.00 H new ATOM 971 N GLU A 84 -16.144 -2.449 -12.367 1.00 0.00 N ATOM 972 CA GLU A 84 -15.414 -1.329 -11.730 1.00 0.00 C ATOM 973 C GLU A 84 -15.969 -0.897 -10.349 1.00 0.00 C ATOM 974 O GLU A 84 -15.206 -0.473 -9.480 1.00 0.00 O ATOM 975 CB GLU A 84 -15.414 -0.125 -12.704 1.00 0.00 C ATOM 976 CG GLU A 84 -16.810 0.245 -13.268 1.00 0.00 C ATOM 977 CD GLU A 84 -16.777 1.454 -14.209 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.154 1.357 -15.290 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.351 2.511 -13.875 1.00 0.00 O ATOM 0 H GLU A 84 -16.457 -2.223 -13.311 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.403 -1.685 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.002 0.743 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.747 -0.347 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.218 -0.613 -13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.486 0.456 -12.439 1.00 0.00 H new ATOM 986 N ASP A 85 -17.296 -0.984 -10.170 1.00 0.00 N ATOM 987 CA ASP A 85 -17.971 -0.555 -8.921 1.00 0.00 C ATOM 988 C ASP A 85 -17.852 -1.618 -7.815 1.00 0.00 C ATOM 989 O ASP A 85 -17.751 -1.285 -6.626 1.00 0.00 O ATOM 990 CB ASP A 85 -19.465 -0.241 -9.198 1.00 0.00 C ATOM 991 CG ASP A 85 -19.648 0.920 -10.189 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.591 2.091 -9.763 1.00 0.00 O ATOM 993 OD2 ASP A 85 -19.825 0.669 -11.406 1.00 0.00 O ATOM 0 H ASP A 85 -17.933 -1.350 -10.877 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.471 0.348 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.953 -1.132 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.961 0.005 -8.259 1.00 0.00 H new ATOM 998 N THR A 86 -17.853 -2.893 -8.218 1.00 0.00 N ATOM 999 CA THR A 86 -17.892 -4.038 -7.289 1.00 0.00 C ATOM 1000 C THR A 86 -16.481 -4.571 -6.933 1.00 0.00 C ATOM 1001 O THR A 86 -16.335 -5.339 -5.976 1.00 0.00 O ATOM 1002 CB THR A 86 -18.773 -5.177 -7.890 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.356 -5.444 -9.228 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.271 -4.820 -7.891 1.00 0.00 C ATOM 0 H THR A 86 -17.827 -3.166 -9.201 1.00 0.00 H new ATOM 0 HA THR A 86 -18.334 -3.685 -6.357 1.00 0.00 H new ATOM 0 HB THR A 86 -18.641 -6.057 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.389 -5.600 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.841 -5.645 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.603 -4.641 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.430 -3.921 -8.487 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.447 -4.148 -7.692 1.00 0.00 N ATOM 1013 CA ARG A 87 -14.035 -4.551 -7.430 1.00 0.00 C ATOM 1014 C ARG A 87 -13.488 -3.816 -6.190 1.00 0.00 C ATOM 1015 O ARG A 87 -12.506 -4.250 -5.573 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.132 -4.247 -8.663 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.948 -2.744 -8.932 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.988 -2.431 -10.083 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.738 -0.981 -10.203 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.075 -0.389 -11.205 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.682 -1.082 -12.271 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -10.834 0.906 -11.158 1.00 0.00 N ATOM 0 H ARG A 87 -15.557 -3.527 -8.493 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.021 -5.625 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.154 -4.703 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.566 -4.716 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.920 -2.303 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.580 -2.265 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.044 -2.951 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.404 -2.808 -11.017 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.100 -0.381 -9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.885 -2.080 -12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.178 -0.615 -13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.152 1.455 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.329 1.359 -11.920 1.00 0.00 H new ATOM 1036 N GLU A 88 -14.156 -2.698 -5.844 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.754 -1.795 -4.758 1.00 0.00 C ATOM 1038 C GLU A 88 -13.811 -2.502 -3.393 1.00 0.00 C ATOM 1039 O GLU A 88 -12.942 -2.294 -2.544 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.666 -0.544 -4.775 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.728 0.175 -6.145 1.00 0.00 C ATOM 1042 CD GLU A 88 -13.375 0.755 -6.598 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -12.998 1.845 -6.127 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -12.673 0.123 -7.419 1.00 0.00 O ATOM 0 H GLU A 88 -15.005 -2.396 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.720 -1.489 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.675 -0.839 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.312 0.161 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.084 -0.527 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.460 0.981 -6.090 1.00 0.00 H new ATOM 1051 N SER A 89 -14.832 -3.355 -3.207 1.00 0.00 N ATOM 1052 CA SER A 89 -14.997 -4.157 -1.977 1.00 0.00 C ATOM 1053 C SER A 89 -14.030 -5.361 -1.986 1.00 0.00 C ATOM 1054 O SER A 89 -13.547 -5.793 -0.935 1.00 0.00 O ATOM 1055 CB SER A 89 -16.459 -4.637 -1.847 1.00 0.00 C ATOM 1056 OG SER A 89 -16.707 -5.288 -0.608 1.00 0.00 O ATOM 0 H SER A 89 -15.565 -3.510 -3.900 1.00 0.00 H new ATOM 0 HA SER A 89 -14.759 -3.532 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.129 -3.783 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.689 -5.319 -2.665 1.00 0.00 H new ATOM 0 HG SER A 89 -16.436 -6.228 -0.672 1.00 0.00 H new ATOM 1062 N MET A 90 -13.735 -5.874 -3.201 1.00 0.00 N ATOM 1063 CA MET A 90 -12.818 -7.023 -3.397 1.00 0.00 C ATOM 1064 C MET A 90 -11.365 -6.628 -3.103 1.00 0.00 C ATOM 1065 O MET A 90 -10.529 -7.486 -2.811 1.00 0.00 O ATOM 1066 CB MET A 90 -12.952 -7.586 -4.829 1.00 0.00 C ATOM 1067 CG MET A 90 -14.383 -7.959 -5.191 1.00 0.00 C ATOM 1068 SD MET A 90 -15.152 -8.925 -3.882 1.00 0.00 S ATOM 1069 CE MET A 90 -16.850 -8.940 -4.401 1.00 0.00 C ATOM 0 H MET A 90 -14.123 -5.507 -4.070 1.00 0.00 H new ATOM 0 HA MET A 90 -13.101 -7.804 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.584 -6.846 -5.540 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.317 -8.466 -4.928 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.964 -7.054 -5.369 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.389 -8.529 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.445 -9.504 -3.683 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.223 -7.917 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.926 -9.408 -5.383 1.00 0.00 H new ATOM 1079 N HIS A 91 -11.090 -5.312 -3.180 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.800 -4.723 -2.782 1.00 0.00 C ATOM 1081 C HIS A 91 -9.540 -5.000 -1.281 1.00 0.00 C ATOM 1082 O HIS A 91 -8.399 -5.219 -0.866 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.814 -3.197 -3.069 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.458 -2.527 -3.047 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.671 -2.441 -1.918 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -7.747 -1.923 -4.034 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -6.550 -1.813 -2.208 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -6.568 -1.492 -3.483 1.00 0.00 N ATOM 0 H HIS A 91 -11.762 -4.625 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.995 -5.177 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.268 -3.031 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.454 -2.711 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.054 -1.804 -5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.750 -1.598 -1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.825 -1.002 -3.981 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.630 -4.984 -0.484 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.593 -5.300 0.959 1.00 0.00 C ATOM 1099 C ALA A 92 -10.522 -6.822 1.191 1.00 0.00 C ATOM 1100 O ALA A 92 -9.822 -7.279 2.095 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.820 -4.707 1.670 1.00 0.00 C ATOM 0 H ALA A 92 -11.563 -4.751 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.693 -4.851 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.777 -4.949 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.825 -3.624 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.729 -5.127 1.239 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.252 -7.605 0.365 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.274 -9.089 0.473 1.00 0.00 C ATOM 1109 C PHE A 93 -9.952 -9.719 -0.004 1.00 0.00 C ATOM 1110 O PHE A 93 -9.718 -10.903 0.256 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.469 -9.692 -0.317 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.839 -9.284 0.219 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.140 -9.414 1.575 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.824 -8.775 -0.623 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.374 -9.041 2.065 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -16.060 -8.407 -0.133 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.333 -8.537 1.211 1.00 0.00 C ATOM 0 H PHE A 93 -11.836 -7.237 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.398 -9.327 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.393 -9.386 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.392 -10.779 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.397 -9.812 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.617 -8.666 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.590 -9.144 3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.813 -8.017 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.298 -8.244 1.596 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.106 -8.925 -0.713 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.761 -9.355 -1.150 1.00 0.00 C ATOM 1129 C CYS A 94 -6.841 -9.500 0.077 1.00 0.00 C ATOM 1130 O CYS A 94 -6.109 -8.572 0.448 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.179 -8.356 -2.184 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.554 -8.814 -2.847 1.00 0.00 S ATOM 0 H CYS A 94 -9.341 -7.973 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.833 -10.325 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.881 -8.261 -3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.102 -7.374 -1.717 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.209 -9.979 -2.384 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.942 -10.668 0.729 1.00 0.00 N ATOM 1139 CA VAL A 95 -6.197 -10.996 1.961 1.00 0.00 C ATOM 1140 C VAL A 95 -4.704 -11.268 1.672 1.00 0.00 C ATOM 1141 O VAL A 95 -3.872 -11.267 2.593 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.854 -12.227 2.698 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -8.277 -11.870 3.214 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.891 -13.476 1.777 1.00 0.00 C ATOM 0 H VAL A 95 -7.551 -11.423 0.414 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.251 -10.127 2.617 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.235 -12.470 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.709 -12.735 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.212 -11.037 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.909 -11.588 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.349 -14.309 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.475 -13.253 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.875 -13.745 1.488 1.00 0.00 H new ATOM 1154 N GLY A 96 -4.381 -11.507 0.390 1.00 0.00 N ATOM 1155 CA GLY A 96 -3.002 -11.667 -0.054 1.00 0.00 C ATOM 1156 C GLY A 96 -2.895 -11.765 -1.566 1.00 0.00 C ATOM 1157 O GLY A 96 -3.889 -11.599 -2.280 1.00 0.00 O ATOM 0 H GLY A 96 -5.070 -11.593 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.409 -10.823 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.578 -12.564 0.398 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.673 -12.005 -2.045 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.365 -12.249 -3.463 1.00 0.00 C ATOM 1163 C GLN A 97 -0.757 -13.648 -3.578 1.00 0.00 C ATOM 1164 O GLN A 97 0.119 -14.001 -2.796 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.381 -11.175 -3.991 1.00 0.00 C ATOM 1166 CG GLN A 97 -0.029 -11.294 -5.489 1.00 0.00 C ATOM 1167 CD GLN A 97 0.856 -10.146 -5.977 1.00 0.00 C ATOM 1168 OE1 GLN A 97 0.361 -9.110 -6.413 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.165 -10.313 -5.891 1.00 0.00 N ATOM 0 H GLN A 97 -0.848 -12.037 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.271 -12.188 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.811 -10.190 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.540 -11.231 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.481 -12.241 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.948 -11.314 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.545 -11.186 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.795 -9.569 -6.191 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.219 -14.420 -4.557 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.875 -15.841 -4.691 1.00 0.00 C ATOM 1180 C TYR A 98 0.548 -16.034 -5.252 1.00 0.00 C ATOM 1181 O TYR A 98 0.995 -15.276 -6.116 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.928 -16.519 -5.592 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.823 -18.042 -5.703 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -2.046 -18.858 -4.593 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.553 -18.665 -6.925 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -2.002 -20.231 -4.698 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.505 -20.035 -7.028 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.730 -20.812 -5.919 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.689 -22.176 -6.039 1.00 0.00 O ATOM 0 H TYR A 98 -1.846 -14.080 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.882 -16.305 -3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.919 -16.268 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.851 -16.094 -6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.257 -18.405 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.379 -18.060 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.179 -20.848 -3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.291 -20.499 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.486 -22.417 -6.967 1.00 0.00 H new ATOM 1199 N LEU A 99 1.230 -17.064 -4.737 1.00 0.00 N ATOM 1200 CA LEU A 99 2.568 -17.478 -5.176 1.00 0.00 C ATOM 1201 C LEU A 99 2.618 -19.018 -5.184 1.00 0.00 C ATOM 1202 O LEU A 99 2.234 -19.669 -4.203 1.00 0.00 O ATOM 1203 CB LEU A 99 3.673 -16.889 -4.249 1.00 0.00 C ATOM 1204 CG LEU A 99 5.152 -17.243 -4.638 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.518 -16.755 -6.066 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.143 -16.700 -3.582 1.00 0.00 C ATOM 0 H LEU A 99 0.858 -17.646 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 99 2.760 -17.095 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.570 -15.804 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.491 -17.237 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 99 5.232 -18.330 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.551 -17.023 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.856 -17.226 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.405 -15.672 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.162 -16.957 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.047 -15.616 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.920 -17.143 -2.612 1.00 0.00 H new ATOM 1218 N GLU A 100 3.063 -19.586 -6.317 1.00 0.00 N ATOM 1219 CA GLU A 100 3.142 -21.037 -6.525 1.00 0.00 C ATOM 1220 C GLU A 100 4.535 -21.572 -6.116 1.00 0.00 C ATOM 1221 O GLU A 100 5.546 -20.907 -6.375 1.00 0.00 O ATOM 1222 CB GLU A 100 2.862 -21.358 -8.019 1.00 0.00 C ATOM 1223 CG GLU A 100 1.464 -20.924 -8.497 1.00 0.00 C ATOM 1224 CD GLU A 100 1.171 -21.266 -9.964 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.536 -20.479 -10.858 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.567 -22.326 -10.230 1.00 0.00 O ATOM 0 H GLU A 100 3.380 -19.044 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 100 2.394 -21.527 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.615 -20.865 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.973 -22.431 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.712 -21.399 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.362 -19.848 -8.358 1.00 0.00 H new ATOM 1233 N PRO A 101 4.612 -22.780 -5.468 1.00 0.00 N ATOM 1234 CA PRO A 101 5.901 -23.454 -5.151 1.00 0.00 C ATOM 1235 C PRO A 101 6.691 -23.855 -6.429 1.00 0.00 C ATOM 1236 O PRO A 101 7.919 -23.971 -6.397 1.00 0.00 O ATOM 1237 CB PRO A 101 5.469 -24.701 -4.333 1.00 0.00 C ATOM 1238 CG PRO A 101 4.043 -24.936 -4.731 1.00 0.00 C ATOM 1239 CD PRO A 101 3.460 -23.560 -4.947 1.00 0.00 C ATOM 0 HA PRO A 101 6.583 -22.802 -4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.093 -25.564 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.558 -24.523 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.981 -25.537 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.501 -25.476 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.633 -23.580 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.074 -23.137 -4.020 1.00 0.00 H new ATOM 1247 N ASP A 102 5.963 -24.074 -7.548 1.00 0.00 N ATOM 1248 CA ASP A 102 6.575 -24.387 -8.868 1.00 0.00 C ATOM 1249 C ASP A 102 7.101 -23.099 -9.539 1.00 0.00 C ATOM 1250 O ASP A 102 8.041 -23.134 -10.343 1.00 0.00 O ATOM 1251 CB ASP A 102 5.548 -25.110 -9.788 1.00 0.00 C ATOM 1252 CG ASP A 102 6.159 -25.561 -11.137 1.00 0.00 C ATOM 1253 OD1 ASP A 102 6.875 -26.585 -11.154 1.00 0.00 O ATOM 1254 OD2 ASP A 102 5.933 -24.900 -12.180 1.00 0.00 O ATOM 0 H ASP A 102 4.944 -24.040 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 102 7.419 -25.057 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.150 -25.980 -9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.708 -24.443 -9.981 1.00 0.00 H new ATOM 1259 N GLN A 103 6.505 -21.951 -9.148 1.00 0.00 N ATOM 1260 CA GLN A 103 6.854 -20.620 -9.690 1.00 0.00 C ATOM 1261 C GLN A 103 8.209 -20.127 -9.124 1.00 0.00 C ATOM 1262 O GLN A 103 8.734 -19.099 -9.551 1.00 0.00 O ATOM 1263 CB GLN A 103 5.711 -19.607 -9.386 1.00 0.00 C ATOM 1264 CG GLN A 103 5.770 -18.293 -10.188 1.00 0.00 C ATOM 1265 CD GLN A 103 5.735 -18.506 -11.707 1.00 0.00 C ATOM 1266 OE1 GLN A 103 5.127 -19.453 -12.211 1.00 0.00 O ATOM 1267 NE2 GLN A 103 6.411 -17.647 -12.451 1.00 0.00 N ATOM 0 H GLN A 103 5.766 -21.922 -8.445 1.00 0.00 H new ATOM 0 HA GLN A 103 6.965 -20.700 -10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.755 -20.092 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.733 -19.367 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.931 -17.660 -9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.681 -17.755 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.906 -16.871 -12.012 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.437 -17.760 -13.464 1.00 0.00 H new