USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 353 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 1 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.1!) USER MOD Single : A 1 ASN N :NH3+ 176:sc= -0.122 (180deg=-0.139) USER MOD Single : A 5 THR OG1 : rot -42:sc= 0.0281 USER MOD Single : A 9 MET CE :methyl 170:sc= -1.3 (180deg=-1.93) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.592 K(o=-0.59,f=0) USER MOD Single : A 23 SER OG : rot -166:sc= 1.54 USER MOD Single : A 26 ASN : amide:sc= -4.65! C(o=-4.7!,f=-3.7!) USER MOD Single : A 31 ASN : amide:sc= -2.86 K(o=-2.9,f=-4.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -128:sc= -1.12 (180deg=-6.86!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -120:sc= -0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.898 25.466 -0.372 1.00 0.00 N ATOM 2 CA ASN A 1 -14.378 25.089 0.973 1.00 0.00 C ATOM 3 C ASN A 1 -14.844 23.675 1.316 1.00 0.00 C ATOM 4 O ASN A 1 -14.517 23.138 2.356 1.00 0.00 O ATOM 5 CB ASN A 1 -14.912 26.070 2.021 1.00 0.00 C ATOM 6 CG ASN A 1 -14.098 25.934 3.310 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.955 25.520 3.281 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.643 26.264 4.450 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.640 26.452 -0.580 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.484 24.840 -1.092 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.933 25.369 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.289 25.124 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.849 27.091 1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -15.965 25.868 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.110 26.174 5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.602 26.611 4.475 1.00 0.00 H new ATOM 14 N ASP A 2 -15.609 23.067 0.452 1.00 0.00 N ATOM 15 CA ASP A 2 -16.097 21.689 0.730 1.00 0.00 C ATOM 16 C ASP A 2 -14.929 20.706 0.639 1.00 0.00 C ATOM 17 O ASP A 2 -14.073 20.819 -0.215 1.00 0.00 O ATOM 18 CB ASP A 2 -17.170 21.308 -0.291 1.00 0.00 C ATOM 19 CG ASP A 2 -18.428 22.143 -0.044 1.00 0.00 C ATOM 20 OD1 ASP A 2 -18.483 22.804 0.981 1.00 0.00 O ATOM 21 OD2 ASP A 2 -19.316 22.104 -0.879 1.00 0.00 O ATOM 0 H ASP A 2 -15.917 23.466 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.525 21.652 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.801 21.477 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.403 20.246 -0.210 1.00 0.00 H new ATOM 26 N ILE A 3 -14.887 19.743 1.517 1.00 0.00 N ATOM 27 CA ILE A 3 -13.777 18.754 1.485 1.00 0.00 C ATOM 28 C ILE A 3 -14.001 17.773 0.332 1.00 0.00 C ATOM 29 O ILE A 3 -13.227 16.861 0.119 1.00 0.00 O ATOM 30 CB ILE A 3 -13.737 17.990 2.809 1.00 0.00 C ATOM 31 CG1 ILE A 3 -13.535 18.983 3.957 1.00 0.00 C ATOM 32 CG2 ILE A 3 -12.576 16.995 2.784 1.00 0.00 C ATOM 33 CD1 ILE A 3 -13.672 18.255 5.295 1.00 0.00 C ATOM 0 H ILE A 3 -15.575 19.599 2.256 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.830 19.274 1.339 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.674 17.451 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.551 19.446 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -14.270 19.785 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.545 16.449 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.716 16.293 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.638 17.533 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.528 18.963 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.666 17.814 5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.920 17.469 5.360 1.00 0.00 H new ATOM 45 N ARG A 4 -15.052 17.959 -0.417 1.00 0.00 N ATOM 46 CA ARG A 4 -15.324 17.040 -1.556 1.00 0.00 C ATOM 47 C ARG A 4 -14.325 17.331 -2.675 1.00 0.00 C ATOM 48 O ARG A 4 -14.330 16.696 -3.712 1.00 0.00 O ATOM 49 CB ARG A 4 -16.743 17.282 -2.072 1.00 0.00 C ATOM 50 CG ARG A 4 -17.746 17.029 -0.946 1.00 0.00 C ATOM 51 CD ARG A 4 -19.171 17.172 -1.488 1.00 0.00 C ATOM 52 NE ARG A 4 -20.142 17.097 -0.363 1.00 0.00 N ATOM 53 CZ ARG A 4 -20.569 15.935 0.050 1.00 0.00 C ATOM 54 NH1 ARG A 4 -20.123 14.840 -0.503 1.00 0.00 N ATOM 55 NH2 ARG A 4 -21.435 15.869 1.022 1.00 0.00 N ATOM 0 H ARG A 4 -15.734 18.707 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.226 16.005 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -16.839 18.305 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -16.952 16.623 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -17.601 16.031 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -17.582 17.737 -0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -19.278 18.122 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -19.376 16.384 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 4 -20.473 17.952 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -19.440 14.892 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -20.457 13.932 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -21.778 16.725 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -21.770 14.962 1.346 1.00 0.00 H new ATOM 69 N THR A 5 -13.466 18.293 -2.473 1.00 0.00 N ATOM 70 CA THR A 5 -12.468 18.640 -3.518 1.00 0.00 C ATOM 71 C THR A 5 -11.191 17.825 -3.303 1.00 0.00 C ATOM 72 O THR A 5 -10.254 17.904 -4.075 1.00 0.00 O ATOM 73 CB THR A 5 -12.148 20.136 -3.432 1.00 0.00 C ATOM 74 OG1 THR A 5 -11.597 20.571 -4.666 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.149 20.387 -2.303 1.00 0.00 C ATOM 0 H THR A 5 -13.414 18.855 -1.623 1.00 0.00 H new ATOM 0 HA THR A 5 -12.875 18.410 -4.503 1.00 0.00 H new ATOM 0 HB THR A 5 -13.063 20.692 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.959 19.903 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.925 21.452 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.578 20.055 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.231 19.833 -2.499 1.00 0.00 H new ATOM 83 N ALA A 6 -11.146 17.038 -2.265 1.00 0.00 N ATOM 84 CA ALA A 6 -9.933 16.212 -2.007 1.00 0.00 C ATOM 85 C ALA A 6 -10.191 14.776 -2.463 1.00 0.00 C ATOM 86 O ALA A 6 -9.580 13.842 -1.983 1.00 0.00 O ATOM 87 CB ALA A 6 -9.615 16.222 -0.509 1.00 0.00 C ATOM 0 H ALA A 6 -11.897 16.931 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.088 16.624 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.728 15.618 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.432 17.246 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.459 15.810 0.045 1.00 0.00 H new ATOM 93 N ALA A 7 -11.098 14.589 -3.383 1.00 0.00 N ATOM 94 CA ALA A 7 -11.400 13.212 -3.860 1.00 0.00 C ATOM 95 C ALA A 7 -11.610 12.303 -2.648 1.00 0.00 C ATOM 96 O ALA A 7 -11.522 12.735 -1.516 1.00 0.00 O ATOM 97 CB ALA A 7 -10.229 12.683 -4.696 1.00 0.00 C ATOM 0 H ALA A 7 -11.642 15.331 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.299 13.227 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.456 11.675 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.071 13.335 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.326 12.663 -4.086 1.00 0.00 H new ATOM 103 N ASP A 8 -11.884 11.050 -2.875 1.00 0.00 N ATOM 104 CA ASP A 8 -12.094 10.120 -1.732 1.00 0.00 C ATOM 105 C ASP A 8 -10.842 9.262 -1.550 1.00 0.00 C ATOM 106 O ASP A 8 -10.844 8.295 -0.814 1.00 0.00 O ATOM 107 CB ASP A 8 -13.298 9.221 -2.014 1.00 0.00 C ATOM 108 CG ASP A 8 -14.570 10.069 -2.048 1.00 0.00 C ATOM 109 OD1 ASP A 8 -14.512 11.206 -1.608 1.00 0.00 O ATOM 110 OD2 ASP A 8 -15.581 9.569 -2.514 1.00 0.00 O ATOM 0 H ASP A 8 -11.972 10.630 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.282 10.692 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.166 8.706 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.380 8.453 -1.245 1.00 0.00 H new ATOM 115 N MET A 9 -9.775 9.606 -2.217 1.00 0.00 N ATOM 116 CA MET A 9 -8.527 8.804 -2.083 1.00 0.00 C ATOM 117 C MET A 9 -7.624 9.433 -1.024 1.00 0.00 C ATOM 118 O MET A 9 -6.468 9.082 -0.886 1.00 0.00 O ATOM 119 CB MET A 9 -7.801 8.757 -3.427 1.00 0.00 C ATOM 120 CG MET A 9 -8.512 7.765 -4.347 1.00 0.00 C ATOM 121 SD MET A 9 -7.514 6.262 -4.493 1.00 0.00 S ATOM 122 CE MET A 9 -7.615 5.759 -2.757 1.00 0.00 C ATOM 0 H MET A 9 -9.713 10.406 -2.847 1.00 0.00 H new ATOM 0 HA MET A 9 -8.779 7.788 -1.778 1.00 0.00 H new ATOM 0 HB2 MET A 9 -7.787 9.748 -3.882 1.00 0.00 H new ATOM 0 HB3 MET A 9 -6.763 8.458 -3.283 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.497 7.524 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.666 8.210 -5.330 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.213 4.752 -2.646 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.037 6.450 -2.144 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.656 5.772 -2.434 1.00 0.00 H new ATOM 132 N GLU A 10 -8.149 10.354 -0.275 1.00 0.00 N ATOM 133 CA GLU A 10 -7.341 11.011 0.786 1.00 0.00 C ATOM 134 C GLU A 10 -7.059 10.009 1.906 1.00 0.00 C ATOM 135 O GLU A 10 -6.098 10.134 2.637 1.00 0.00 O ATOM 136 CB GLU A 10 -8.125 12.189 1.355 1.00 0.00 C ATOM 137 CG GLU A 10 -7.258 12.941 2.362 1.00 0.00 C ATOM 138 CD GLU A 10 -8.104 14.007 3.061 1.00 0.00 C ATOM 139 OE1 GLU A 10 -9.273 14.118 2.728 1.00 0.00 O ATOM 140 OE2 GLU A 10 -7.571 14.691 3.918 1.00 0.00 O ATOM 0 H GLU A 10 -9.111 10.684 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.399 11.361 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.430 12.858 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.036 11.834 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.848 12.247 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.412 13.406 1.855 1.00 0.00 H new ATOM 147 N HIS A 11 -7.901 9.024 2.055 1.00 0.00 N ATOM 148 CA HIS A 11 -7.692 8.027 3.137 1.00 0.00 C ATOM 149 C HIS A 11 -7.136 6.734 2.545 1.00 0.00 C ATOM 150 O HIS A 11 -7.738 6.119 1.686 1.00 0.00 O ATOM 151 CB HIS A 11 -9.031 7.740 3.821 1.00 0.00 C ATOM 152 CG HIS A 11 -9.542 9.002 4.454 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.459 9.829 3.819 1.00 0.00 N ATOM 154 CD2 HIS A 11 -9.271 9.598 5.660 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.702 10.869 4.637 1.00 0.00 C ATOM 156 NE2 HIS A 11 -10.004 10.773 5.771 1.00 0.00 N ATOM 0 H HIS A 11 -8.724 8.868 1.473 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.983 8.422 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.752 7.366 3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.908 6.964 4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.593 9.213 6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -11.377 11.680 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.008 11.426 6.555 1.00 0.00 H new ATOM 165 N CYS A 12 -5.993 6.317 3.004 1.00 0.00 N ATOM 166 CA CYS A 12 -5.385 5.061 2.482 1.00 0.00 C ATOM 167 C CYS A 12 -5.426 3.999 3.578 1.00 0.00 C ATOM 168 O CYS A 12 -5.191 4.285 4.735 1.00 0.00 O ATOM 169 CB CYS A 12 -3.938 5.332 2.092 1.00 0.00 C ATOM 170 SG CYS A 12 -3.890 6.609 0.814 1.00 0.00 S ATOM 0 H CYS A 12 -5.449 6.794 3.723 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.938 4.712 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.369 5.653 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.471 4.418 1.726 1.00 0.00 H new ATOM 175 N ALA A 13 -5.724 2.778 3.234 1.00 0.00 N ATOM 176 CA ALA A 13 -5.781 1.717 4.276 1.00 0.00 C ATOM 177 C ALA A 13 -5.103 0.445 3.769 1.00 0.00 C ATOM 178 O ALA A 13 -5.134 0.141 2.593 1.00 0.00 O ATOM 179 CB ALA A 13 -7.241 1.414 4.610 1.00 0.00 C ATOM 0 H ALA A 13 -5.929 2.470 2.283 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.262 2.066 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.286 0.637 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.724 2.317 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.756 1.071 3.713 1.00 0.00 H new ATOM 185 N ASP A 14 -4.507 -0.311 4.648 1.00 0.00 N ATOM 186 CA ASP A 14 -3.854 -1.572 4.211 1.00 0.00 C ATOM 187 C ASP A 14 -4.941 -2.592 3.869 1.00 0.00 C ATOM 188 O ASP A 14 -5.932 -2.715 4.559 1.00 0.00 O ATOM 189 CB ASP A 14 -2.952 -2.112 5.330 1.00 0.00 C ATOM 190 CG ASP A 14 -3.777 -2.344 6.599 1.00 0.00 C ATOM 191 OD1 ASP A 14 -4.991 -2.280 6.515 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.178 -2.577 7.635 1.00 0.00 O ATOM 0 H ASP A 14 -4.445 -0.110 5.646 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.236 -1.385 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.485 -3.045 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.147 -1.405 5.533 1.00 0.00 H new ATOM 197 N GLU A 15 -4.773 -3.310 2.794 1.00 0.00 N ATOM 198 CA GLU A 15 -5.805 -4.306 2.394 1.00 0.00 C ATOM 199 C GLU A 15 -5.953 -5.368 3.485 1.00 0.00 C ATOM 200 O GLU A 15 -4.986 -5.808 4.077 1.00 0.00 O ATOM 201 CB GLU A 15 -5.382 -4.972 1.087 1.00 0.00 C ATOM 202 CG GLU A 15 -6.165 -4.365 -0.084 1.00 0.00 C ATOM 203 CD GLU A 15 -6.177 -2.836 0.023 1.00 0.00 C ATOM 204 OE1 GLU A 15 -5.326 -2.300 0.712 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.043 -2.227 -0.584 1.00 0.00 O ATOM 0 H GLU A 15 -3.965 -3.250 2.175 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.761 -3.801 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.312 -4.837 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.564 -6.045 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.713 -4.667 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.187 -4.745 -0.084 1.00 0.00 H new ATOM 212 N LYS A 16 -7.161 -5.789 3.750 1.00 0.00 N ATOM 213 CA LYS A 16 -7.380 -6.828 4.794 1.00 0.00 C ATOM 214 C LYS A 16 -7.259 -8.217 4.165 1.00 0.00 C ATOM 215 O LYS A 16 -6.881 -9.172 4.811 1.00 0.00 O ATOM 216 CB LYS A 16 -8.778 -6.659 5.397 1.00 0.00 C ATOM 217 CG LYS A 16 -9.838 -6.951 4.333 1.00 0.00 C ATOM 218 CD LYS A 16 -11.221 -6.667 4.915 1.00 0.00 C ATOM 219 CE LYS A 16 -12.302 -7.173 3.955 1.00 0.00 C ATOM 220 NZ LYS A 16 -13.038 -6.009 3.385 1.00 0.00 N ATOM 0 H LYS A 16 -8.007 -5.456 3.286 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.631 -6.719 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.903 -7.334 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.900 -5.645 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.667 -6.333 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.772 -7.990 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.325 -7.155 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.342 -5.597 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.849 -7.759 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.992 -7.832 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.773 -6.349 2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.481 -5.468 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.374 -5.397 2.870 1.00 0.00 H new ATOM 234 N ASN A 17 -7.577 -8.335 2.904 1.00 0.00 N ATOM 235 CA ASN A 17 -7.479 -9.662 2.235 1.00 0.00 C ATOM 236 C ASN A 17 -6.035 -9.900 1.793 1.00 0.00 C ATOM 237 O ASN A 17 -5.691 -10.960 1.307 1.00 0.00 O ATOM 238 CB ASN A 17 -8.399 -9.678 1.013 1.00 0.00 C ATOM 239 CG ASN A 17 -9.841 -9.435 1.461 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.400 -10.218 2.203 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.467 -8.368 1.047 1.00 0.00 N ATOM 0 H ASN A 17 -7.900 -7.571 2.310 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.780 -10.448 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.093 -8.910 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.323 -10.636 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.426 -8.191 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.998 -7.711 0.424 1.00 0.00 H new ATOM 248 N PHE A 18 -5.187 -8.925 1.964 1.00 0.00 N ATOM 249 CA PHE A 18 -3.763 -9.093 1.564 1.00 0.00 C ATOM 250 C PHE A 18 -2.897 -9.137 2.821 1.00 0.00 C ATOM 251 O PHE A 18 -3.046 -8.327 3.715 1.00 0.00 O ATOM 252 CB PHE A 18 -3.333 -7.915 0.691 1.00 0.00 C ATOM 253 CG PHE A 18 -1.972 -8.196 0.096 1.00 0.00 C ATOM 254 CD1 PHE A 18 -1.869 -8.883 -1.119 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.817 -7.760 0.754 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.609 -9.137 -1.675 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.442 -8.013 0.196 1.00 0.00 C ATOM 258 CZ PHE A 18 0.546 -8.701 -1.018 1.00 0.00 C ATOM 0 H PHE A 18 -5.420 -8.016 2.365 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.646 -10.019 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.062 -7.752 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.300 -7.002 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.761 -9.217 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.896 -7.229 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.529 -9.670 -2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.334 -7.677 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.518 -8.895 -1.447 1.00 0.00 H new ATOM 268 N ASP A 19 -1.989 -10.069 2.903 1.00 0.00 N ATOM 269 CA ASP A 19 -1.124 -10.141 4.109 1.00 0.00 C ATOM 270 C ASP A 19 -0.023 -9.091 3.979 1.00 0.00 C ATOM 271 O ASP A 19 1.070 -9.371 3.528 1.00 0.00 O ATOM 272 CB ASP A 19 -0.505 -11.535 4.216 1.00 0.00 C ATOM 273 CG ASP A 19 -1.617 -12.578 4.322 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.726 -12.202 4.669 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.344 -13.737 4.055 1.00 0.00 O ATOM 0 H ASP A 19 -1.810 -10.778 2.192 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.714 -9.951 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.116 -11.737 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.145 -11.590 5.089 1.00 0.00 H new ATOM 280 N CYS A 20 -0.308 -7.877 4.366 1.00 0.00 N ATOM 281 CA CYS A 20 0.712 -6.798 4.258 1.00 0.00 C ATOM 282 C CYS A 20 1.811 -7.037 5.292 1.00 0.00 C ATOM 283 O CYS A 20 2.975 -6.785 5.048 1.00 0.00 O ATOM 284 CB CYS A 20 0.039 -5.454 4.519 1.00 0.00 C ATOM 285 SG CYS A 20 -1.430 -5.318 3.476 1.00 0.00 S ATOM 0 H CYS A 20 -1.206 -7.587 4.753 1.00 0.00 H new ATOM 0 HA CYS A 20 1.153 -6.798 3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.237 -5.369 5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.730 -4.639 4.304 1.00 0.00 H new ATOM 290 N ARG A 21 1.449 -7.526 6.443 1.00 0.00 N ATOM 291 CA ARG A 21 2.465 -7.789 7.494 1.00 0.00 C ATOM 292 C ARG A 21 3.480 -8.803 6.962 1.00 0.00 C ATOM 293 O ARG A 21 4.676 -8.629 7.087 1.00 0.00 O ATOM 294 CB ARG A 21 1.759 -8.363 8.725 1.00 0.00 C ATOM 295 CG ARG A 21 2.641 -8.191 9.964 1.00 0.00 C ATOM 296 CD ARG A 21 3.951 -8.953 9.773 1.00 0.00 C ATOM 297 NE ARG A 21 4.591 -9.183 11.098 1.00 0.00 N ATOM 298 CZ ARG A 21 4.206 -10.180 11.843 1.00 0.00 C ATOM 299 NH1 ARG A 21 3.243 -10.963 11.439 1.00 0.00 N ATOM 300 NH2 ARG A 21 4.782 -10.392 12.994 1.00 0.00 N ATOM 0 H ARG A 21 0.489 -7.755 6.701 1.00 0.00 H new ATOM 0 HA ARG A 21 2.981 -6.867 7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.805 -7.858 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.540 -9.419 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.845 -7.134 10.133 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.120 -8.560 10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.761 -9.906 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.622 -8.387 9.127 1.00 0.00 H new ATOM 0 HE ARG A 21 5.331 -8.560 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.792 -10.794 10.540 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.942 -11.744 12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.533 -9.778 13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.482 -11.172 13.579 1.00 0.00 H new ATOM 314 N ARG A 22 3.013 -9.860 6.354 1.00 0.00 N ATOM 315 CA ARG A 22 3.952 -10.877 5.807 1.00 0.00 C ATOM 316 C ARG A 22 4.693 -10.293 4.607 1.00 0.00 C ATOM 317 O ARG A 22 5.894 -10.419 4.476 1.00 0.00 O ATOM 318 CB ARG A 22 3.165 -12.109 5.366 1.00 0.00 C ATOM 319 CG ARG A 22 3.861 -12.753 4.169 1.00 0.00 C ATOM 320 CD ARG A 22 3.261 -14.131 3.912 1.00 0.00 C ATOM 321 NE ARG A 22 3.465 -14.986 5.115 1.00 0.00 N ATOM 322 CZ ARG A 22 2.610 -15.927 5.398 1.00 0.00 C ATOM 323 NH1 ARG A 22 1.575 -16.125 4.625 1.00 0.00 N ATOM 324 NH2 ARG A 22 2.787 -16.673 6.454 1.00 0.00 N ATOM 0 H ARG A 22 2.023 -10.062 6.213 1.00 0.00 H new ATOM 0 HA ARG A 22 4.671 -11.159 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.095 -12.822 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.146 -11.827 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.746 -12.124 3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.930 -12.840 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.197 -14.042 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.731 -14.589 3.042 1.00 0.00 H new ATOM 0 HE ARG A 22 4.274 -14.834 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.436 -15.542 3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.906 -16.862 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.595 -16.519 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.118 -17.410 6.676 1.00 0.00 H new ATOM 338 N SER A 23 3.982 -9.656 3.729 1.00 0.00 N ATOM 339 CA SER A 23 4.635 -9.059 2.538 1.00 0.00 C ATOM 340 C SER A 23 5.641 -7.997 2.992 1.00 0.00 C ATOM 341 O SER A 23 6.690 -7.831 2.403 1.00 0.00 O ATOM 342 CB SER A 23 3.567 -8.421 1.650 1.00 0.00 C ATOM 343 OG SER A 23 2.710 -9.440 1.148 1.00 0.00 O ATOM 0 H SER A 23 2.972 -9.522 3.784 1.00 0.00 H new ATOM 0 HA SER A 23 5.160 -9.830 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.991 -7.692 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.035 -7.883 0.825 1.00 0.00 H new ATOM 0 HG SER A 23 2.172 -9.081 0.412 1.00 0.00 H new ATOM 349 N LEU A 24 5.327 -7.274 4.036 1.00 0.00 N ATOM 350 CA LEU A 24 6.262 -6.219 4.526 1.00 0.00 C ATOM 351 C LEU A 24 7.566 -6.849 5.019 1.00 0.00 C ATOM 352 O LEU A 24 8.645 -6.436 4.646 1.00 0.00 O ATOM 353 CB LEU A 24 5.614 -5.465 5.687 1.00 0.00 C ATOM 354 CG LEU A 24 6.574 -4.380 6.184 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.663 -3.261 5.149 1.00 0.00 C ATOM 356 CD2 LEU A 24 6.061 -3.811 7.506 1.00 0.00 C ATOM 0 H LEU A 24 4.463 -7.369 4.570 1.00 0.00 H new ATOM 0 HA LEU A 24 6.478 -5.537 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.675 -5.016 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.376 -6.155 6.497 1.00 0.00 H new ATOM 0 HG LEU A 24 7.563 -4.814 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.347 -2.490 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.031 -3.666 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.675 -2.827 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.744 -3.039 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.071 -3.379 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.001 -4.609 8.246 1.00 0.00 H new ATOM 368 N ARG A 25 7.478 -7.840 5.860 1.00 0.00 N ATOM 369 CA ARG A 25 8.719 -8.482 6.377 1.00 0.00 C ATOM 370 C ARG A 25 9.422 -9.207 5.233 1.00 0.00 C ATOM 371 O ARG A 25 10.608 -9.470 5.286 1.00 0.00 O ATOM 372 CB ARG A 25 8.368 -9.470 7.493 1.00 0.00 C ATOM 373 CG ARG A 25 7.467 -10.569 6.939 1.00 0.00 C ATOM 374 CD ARG A 25 6.966 -11.449 8.084 1.00 0.00 C ATOM 375 NE ARG A 25 6.234 -12.617 7.521 1.00 0.00 N ATOM 376 CZ ARG A 25 5.314 -13.217 8.224 1.00 0.00 C ATOM 377 NH1 ARG A 25 5.058 -12.816 9.440 1.00 0.00 N ATOM 378 NH2 ARG A 25 4.655 -14.221 7.716 1.00 0.00 N ATOM 0 H ARG A 25 6.605 -8.233 6.211 1.00 0.00 H new ATOM 0 HA ARG A 25 9.384 -7.720 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.278 -9.906 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.865 -8.950 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.622 -10.128 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.016 -11.173 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.805 -11.789 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.310 -10.875 8.739 1.00 0.00 H new ATOM 0 HE ARG A 25 6.453 -12.949 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.577 -12.034 9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.339 -13.285 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.859 -14.538 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.936 -14.690 8.267 1.00 0.00 H new ATOM 392 N ASN A 26 8.701 -9.522 4.196 1.00 0.00 N ATOM 393 CA ASN A 26 9.323 -10.220 3.039 1.00 0.00 C ATOM 394 C ASN A 26 10.081 -9.204 2.184 1.00 0.00 C ATOM 395 O ASN A 26 10.708 -9.549 1.204 1.00 0.00 O ATOM 396 CB ASN A 26 8.229 -10.866 2.191 1.00 0.00 C ATOM 397 CG ASN A 26 7.569 -12.000 2.974 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.141 -12.524 3.909 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.378 -12.405 2.627 1.00 0.00 N ATOM 0 H ASN A 26 7.705 -9.326 4.099 1.00 0.00 H new ATOM 0 HA ASN A 26 10.010 -10.985 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.483 -10.121 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.654 -11.251 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.927 -13.162 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.898 -11.965 1.842 1.00 0.00 H new ATOM 406 N GLY A 27 10.021 -7.952 2.547 1.00 0.00 N ATOM 407 CA GLY A 27 10.733 -6.912 1.752 1.00 0.00 C ATOM 408 C GLY A 27 9.880 -6.527 0.543 1.00 0.00 C ATOM 409 O GLY A 27 10.373 -6.007 -0.439 1.00 0.00 O ATOM 0 H GLY A 27 9.510 -7.605 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.926 -6.035 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.701 -7.289 1.423 1.00 0.00 H new ATOM 413 N ASP A 28 8.602 -6.781 0.604 1.00 0.00 N ATOM 414 CA ASP A 28 7.714 -6.434 -0.538 1.00 0.00 C ATOM 415 C ASP A 28 7.775 -4.928 -0.803 1.00 0.00 C ATOM 416 O ASP A 28 7.808 -4.491 -1.935 1.00 0.00 O ATOM 417 CB ASP A 28 6.280 -6.845 -0.203 1.00 0.00 C ATOM 418 CG ASP A 28 5.405 -6.698 -1.447 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.464 -5.650 -2.065 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.695 -7.639 -1.763 1.00 0.00 O ATOM 0 H ASP A 28 8.134 -7.216 1.399 1.00 0.00 H new ATOM 0 HA ASP A 28 8.045 -6.963 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.259 -7.876 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.891 -6.224 0.604 1.00 0.00 H new ATOM 425 N CYS A 29 7.801 -4.128 0.230 1.00 0.00 N ATOM 426 CA CYS A 29 7.874 -2.655 0.022 1.00 0.00 C ATOM 427 C CYS A 29 9.225 -2.319 -0.604 1.00 0.00 C ATOM 428 O CYS A 29 9.401 -1.284 -1.217 1.00 0.00 O ATOM 429 CB CYS A 29 7.744 -1.936 1.365 1.00 0.00 C ATOM 430 SG CYS A 29 6.311 -2.586 2.259 1.00 0.00 S ATOM 0 H CYS A 29 7.775 -4.430 1.204 1.00 0.00 H new ATOM 0 HA CYS A 29 7.065 -2.333 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.649 -2.078 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.632 -0.863 1.206 1.00 0.00 H new ATOM 435 N ASP A 30 10.186 -3.189 -0.450 1.00 0.00 N ATOM 436 CA ASP A 30 11.533 -2.928 -1.028 1.00 0.00 C ATOM 437 C ASP A 30 11.646 -3.591 -2.401 1.00 0.00 C ATOM 438 O ASP A 30 12.658 -3.492 -3.064 1.00 0.00 O ATOM 439 CB ASP A 30 12.604 -3.502 -0.098 1.00 0.00 C ATOM 440 CG ASP A 30 12.643 -2.687 1.195 1.00 0.00 C ATOM 441 OD1 ASP A 30 12.075 -1.607 1.208 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.242 -3.154 2.148 1.00 0.00 O ATOM 0 H ASP A 30 10.095 -4.072 0.053 1.00 0.00 H new ATOM 0 HA ASP A 30 11.676 -1.853 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.387 -4.547 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.578 -3.476 -0.587 1.00 0.00 H new ATOM 447 N ASN A 31 10.616 -4.260 -2.843 1.00 0.00 N ATOM 448 CA ASN A 31 10.682 -4.914 -4.175 1.00 0.00 C ATOM 449 C ASN A 31 10.017 -4.001 -5.203 1.00 0.00 C ATOM 450 O ASN A 31 8.827 -3.763 -5.162 1.00 0.00 O ATOM 451 CB ASN A 31 9.947 -6.254 -4.125 1.00 0.00 C ATOM 452 CG ASN A 31 10.295 -7.075 -5.367 1.00 0.00 C ATOM 453 OD1 ASN A 31 10.979 -6.603 -6.254 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.849 -8.297 -5.467 1.00 0.00 N ATOM 0 H ASN A 31 9.737 -4.380 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 31 11.721 -5.089 -4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.227 -6.801 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.871 -6.089 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.074 -8.856 -6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.275 -8.693 -4.723 1.00 0.00 H new ATOM 461 N ASP A 32 10.780 -3.481 -6.124 1.00 0.00 N ATOM 462 CA ASP A 32 10.195 -2.580 -7.153 1.00 0.00 C ATOM 463 C ASP A 32 9.083 -3.320 -7.894 1.00 0.00 C ATOM 464 O ASP A 32 8.096 -2.739 -8.300 1.00 0.00 O ATOM 465 CB ASP A 32 11.282 -2.166 -8.145 1.00 0.00 C ATOM 466 CG ASP A 32 12.345 -1.335 -7.422 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.117 -0.983 -6.277 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.369 -1.066 -8.028 1.00 0.00 O ATOM 0 H ASP A 32 11.784 -3.642 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 32 9.787 -1.691 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.738 -3.050 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.845 -1.588 -8.959 1.00 0.00 H new ATOM 473 N ASP A 33 9.240 -4.601 -8.077 1.00 0.00 N ATOM 474 CA ASP A 33 8.200 -5.388 -8.790 1.00 0.00 C ATOM 475 C ASP A 33 6.918 -5.429 -7.954 1.00 0.00 C ATOM 476 O ASP A 33 5.834 -5.601 -8.473 1.00 0.00 O ATOM 477 CB ASP A 33 8.705 -6.813 -9.020 1.00 0.00 C ATOM 478 CG ASP A 33 7.703 -7.577 -9.888 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.825 -6.938 -10.446 1.00 0.00 O ATOM 480 OD2 ASP A 33 7.831 -8.786 -9.983 1.00 0.00 O ATOM 0 H ASP A 33 10.048 -5.138 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 33 7.989 -4.917 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.680 -6.790 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.837 -7.322 -8.065 1.00 0.00 H new ATOM 485 N LYS A 34 7.030 -5.280 -6.661 1.00 0.00 N ATOM 486 CA LYS A 34 5.813 -5.320 -5.803 1.00 0.00 C ATOM 487 C LYS A 34 5.517 -3.921 -5.269 1.00 0.00 C ATOM 488 O LYS A 34 4.571 -3.716 -4.535 1.00 0.00 O ATOM 489 CB LYS A 34 6.042 -6.261 -4.626 1.00 0.00 C ATOM 490 CG LYS A 34 6.596 -7.591 -5.133 1.00 0.00 C ATOM 491 CD LYS A 34 6.415 -8.651 -4.048 1.00 0.00 C ATOM 492 CE LYS A 34 6.991 -9.981 -4.531 1.00 0.00 C ATOM 493 NZ LYS A 34 7.158 -10.895 -3.367 1.00 0.00 N ATOM 0 H LYS A 34 7.909 -5.133 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 34 4.971 -5.675 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.739 -5.812 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.106 -6.425 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.078 -7.892 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.651 -7.487 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.915 -8.338 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.357 -8.766 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.328 -10.431 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.951 -9.818 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.550 -11.802 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.807 -10.464 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.234 -11.058 -2.918 1.00 0.00 H new ATOM 507 N LEU A 35 6.317 -2.955 -5.623 1.00 0.00 N ATOM 508 CA LEU A 35 6.066 -1.578 -5.122 1.00 0.00 C ATOM 509 C LEU A 35 4.658 -1.144 -5.520 1.00 0.00 C ATOM 510 O LEU A 35 3.915 -0.615 -4.716 1.00 0.00 O ATOM 511 CB LEU A 35 7.105 -0.615 -5.707 1.00 0.00 C ATOM 512 CG LEU A 35 8.314 -0.537 -4.771 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.373 0.389 -5.370 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.867 0.022 -3.420 1.00 0.00 C ATOM 0 H LEU A 35 7.128 -3.059 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 35 6.150 -1.563 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.417 -0.956 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.667 0.375 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 35 8.736 -1.534 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.231 0.441 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.691 0.000 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.953 1.386 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.724 0.080 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.447 1.018 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.111 -0.633 -2.987 1.00 0.00 H new ATOM 526 N LEU A 36 4.272 -1.381 -6.742 1.00 0.00 N ATOM 527 CA LEU A 36 2.898 -0.998 -7.168 1.00 0.00 C ATOM 528 C LEU A 36 1.889 -1.837 -6.388 1.00 0.00 C ATOM 529 O LEU A 36 0.851 -1.360 -5.976 1.00 0.00 O ATOM 530 CB LEU A 36 2.727 -1.253 -8.668 1.00 0.00 C ATOM 531 CG LEU A 36 1.316 -0.834 -9.098 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.375 -0.184 -10.482 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.414 -2.071 -9.162 1.00 0.00 C ATOM 0 H LEU A 36 4.846 -1.821 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 36 2.734 0.061 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.473 -0.691 -9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.888 -2.308 -8.890 1.00 0.00 H new ATOM 0 HG LEU A 36 0.915 -0.123 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.372 0.114 -10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.019 0.695 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.777 -0.897 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.589 -1.774 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.819 -2.779 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.370 -2.540 -8.179 1.00 0.00 H new ATOM 545 N GLU A 37 2.188 -3.091 -6.183 1.00 0.00 N ATOM 546 CA GLU A 37 1.250 -3.969 -5.435 1.00 0.00 C ATOM 547 C GLU A 37 1.036 -3.397 -4.034 1.00 0.00 C ATOM 548 O GLU A 37 -0.056 -3.411 -3.510 1.00 0.00 O ATOM 549 CB GLU A 37 1.849 -5.371 -5.321 1.00 0.00 C ATOM 550 CG GLU A 37 2.115 -5.927 -6.722 1.00 0.00 C ATOM 551 CD GLU A 37 2.588 -7.378 -6.614 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.917 -7.795 -5.514 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.610 -8.051 -7.632 1.00 0.00 O ATOM 0 H GLU A 37 3.044 -3.544 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 37 0.297 -4.021 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.777 -5.337 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.166 -6.027 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.208 -5.873 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.870 -5.324 -7.227 1.00 0.00 H new ATOM 560 N MET A 38 2.075 -2.896 -3.428 1.00 0.00 N ATOM 561 CA MET A 38 1.939 -2.323 -2.060 1.00 0.00 C ATOM 562 C MET A 38 1.157 -1.014 -2.115 1.00 0.00 C ATOM 563 O MET A 38 0.263 -0.783 -1.325 1.00 0.00 O ATOM 564 CB MET A 38 3.327 -2.051 -1.500 1.00 0.00 C ATOM 565 CG MET A 38 4.028 -3.378 -1.215 1.00 0.00 C ATOM 566 SD MET A 38 3.138 -4.264 0.087 1.00 0.00 S ATOM 567 CE MET A 38 2.254 -5.426 -0.984 1.00 0.00 C ATOM 0 H MET A 38 3.015 -2.858 -3.822 1.00 0.00 H new ATOM 0 HA MET A 38 1.406 -3.030 -1.424 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.909 -1.465 -2.211 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.253 -1.462 -0.586 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.066 -3.983 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.058 -3.198 -0.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.189 -5.395 -0.754 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.408 -5.149 -2.027 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.632 -6.435 -0.817 1.00 0.00 H new ATOM 577 N GLY A 39 1.472 -0.157 -3.045 1.00 0.00 N ATOM 578 CA GLY A 39 0.728 1.126 -3.144 1.00 0.00 C ATOM 579 C GLY A 39 -0.752 0.813 -3.329 1.00 0.00 C ATOM 580 O GLY A 39 -1.616 1.574 -2.947 1.00 0.00 O ATOM 0 H GLY A 39 2.209 -0.290 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.880 1.722 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.098 1.715 -3.983 1.00 0.00 H new ATOM 584 N TYR A 40 -1.038 -0.310 -3.924 1.00 0.00 N ATOM 585 CA TYR A 40 -2.454 -0.699 -4.157 1.00 0.00 C ATOM 586 C TYR A 40 -2.961 -1.585 -3.015 1.00 0.00 C ATOM 587 O TYR A 40 -3.977 -1.307 -2.410 1.00 0.00 O ATOM 588 CB TYR A 40 -2.542 -1.468 -5.476 1.00 0.00 C ATOM 589 CG TYR A 40 -3.937 -2.011 -5.649 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.278 -3.242 -5.079 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.887 -1.290 -6.380 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.568 -3.753 -5.240 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.179 -1.802 -6.541 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.520 -3.034 -5.971 1.00 0.00 C ATOM 595 OH TYR A 40 -7.792 -3.540 -6.130 1.00 0.00 O ATOM 0 H TYR A 40 -0.346 -0.979 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.071 0.198 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.290 -0.812 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.819 -2.284 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.544 -3.797 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.623 -0.339 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.831 -4.704 -4.800 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.913 -1.246 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.328 -2.916 -6.663 1.00 0.00 H new ATOM 605 N TYR A 41 -2.273 -2.659 -2.724 1.00 0.00 N ATOM 606 CA TYR A 41 -2.734 -3.567 -1.634 1.00 0.00 C ATOM 607 C TYR A 41 -2.397 -2.986 -0.258 1.00 0.00 C ATOM 608 O TYR A 41 -3.231 -2.947 0.621 1.00 0.00 O ATOM 609 CB TYR A 41 -2.061 -4.936 -1.778 1.00 0.00 C ATOM 610 CG TYR A 41 -2.676 -5.690 -2.936 1.00 0.00 C ATOM 611 CD1 TYR A 41 -3.914 -6.329 -2.779 1.00 0.00 C ATOM 612 CD2 TYR A 41 -2.008 -5.756 -4.165 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.482 -7.029 -3.849 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.578 -6.457 -5.235 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.814 -7.094 -5.078 1.00 0.00 C ATOM 616 OH TYR A 41 -4.375 -7.783 -6.133 1.00 0.00 O ATOM 0 H TYR A 41 -1.414 -2.945 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.816 -3.673 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.991 -4.810 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.178 -5.507 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.430 -6.281 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.053 -5.266 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.436 -7.520 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.063 -6.506 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.782 -7.728 -6.912 1.00 0.00 H new ATOM 626 N CYS A 42 -1.184 -2.554 -0.045 1.00 0.00 N ATOM 627 CA CYS A 42 -0.836 -2.010 1.300 1.00 0.00 C ATOM 628 C CYS A 42 -0.014 -0.727 1.179 1.00 0.00 C ATOM 629 O CYS A 42 1.174 -0.719 1.442 1.00 0.00 O ATOM 630 CB CYS A 42 -0.035 -3.058 2.065 1.00 0.00 C ATOM 631 SG CYS A 42 -0.700 -4.698 1.699 1.00 0.00 S ATOM 0 H CYS A 42 -0.429 -2.553 -0.731 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.758 -1.774 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.016 -3.007 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.087 -2.862 3.136 1.00 0.00 H new ATOM 636 N PRO A 43 -0.644 0.353 0.803 1.00 0.00 N ATOM 637 CA PRO A 43 0.037 1.674 0.666 1.00 0.00 C ATOM 638 C PRO A 43 0.495 2.217 2.023 1.00 0.00 C ATOM 639 O PRO A 43 1.531 2.843 2.147 1.00 0.00 O ATOM 640 CB PRO A 43 -1.041 2.584 0.071 1.00 0.00 C ATOM 641 CG PRO A 43 -2.341 1.939 0.417 1.00 0.00 C ATOM 642 CD PRO A 43 -2.074 0.438 0.468 1.00 0.00 C ATOM 0 HA PRO A 43 0.935 1.608 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.979 3.590 0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.924 2.677 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.711 2.301 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.102 2.174 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.692 -0.054 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.291 -0.041 -0.487 1.00 0.00 H new ATOM 650 N VAL A 44 -0.283 1.973 3.038 1.00 0.00 N ATOM 651 CA VAL A 44 0.077 2.456 4.397 1.00 0.00 C ATOM 652 C VAL A 44 1.180 1.567 4.980 1.00 0.00 C ATOM 653 O VAL A 44 2.123 2.039 5.580 1.00 0.00 O ATOM 654 CB VAL A 44 -1.161 2.387 5.290 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.786 2.778 6.719 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.225 3.350 4.757 1.00 0.00 C ATOM 0 H VAL A 44 -1.160 1.455 2.983 1.00 0.00 H new ATOM 0 HA VAL A 44 0.436 3.484 4.342 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.555 1.371 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.671 2.728 7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.029 2.091 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.391 3.794 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.109 3.303 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.830 4.366 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.494 3.068 3.739 1.00 0.00 H new ATOM 666 N THR A 45 1.060 0.278 4.810 1.00 0.00 N ATOM 667 CA THR A 45 2.083 -0.661 5.361 1.00 0.00 C ATOM 668 C THR A 45 3.464 -0.355 4.778 1.00 0.00 C ATOM 669 O THR A 45 4.467 -0.435 5.462 1.00 0.00 O ATOM 670 CB THR A 45 1.704 -2.095 4.988 1.00 0.00 C ATOM 671 OG1 THR A 45 0.368 -2.351 5.398 1.00 0.00 O ATOM 672 CG2 THR A 45 2.652 -3.075 5.682 1.00 0.00 C ATOM 0 H THR A 45 0.292 -0.169 4.310 1.00 0.00 H new ATOM 0 HA THR A 45 2.116 -0.542 6.444 1.00 0.00 H new ATOM 0 HB THR A 45 1.784 -2.223 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.358 -3.096 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.380 -4.096 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.676 -2.878 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.577 -2.951 6.762 1.00 0.00 H new ATOM 680 N CYS A 46 3.530 -0.031 3.520 1.00 0.00 N ATOM 681 CA CYS A 46 4.853 0.244 2.899 1.00 0.00 C ATOM 682 C CYS A 46 5.241 1.712 3.093 1.00 0.00 C ATOM 683 O CYS A 46 6.311 2.134 2.699 1.00 0.00 O ATOM 684 CB CYS A 46 4.793 -0.102 1.413 1.00 0.00 C ATOM 685 SG CYS A 46 4.713 -1.901 1.236 1.00 0.00 S ATOM 0 H CYS A 46 2.728 0.055 2.896 1.00 0.00 H new ATOM 0 HA CYS A 46 5.612 -0.372 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.921 0.362 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.671 0.289 0.899 1.00 0.00 H new ATOM 690 N GLY A 47 4.398 2.485 3.716 1.00 0.00 N ATOM 691 CA GLY A 47 4.739 3.916 3.958 1.00 0.00 C ATOM 692 C GLY A 47 4.560 4.742 2.685 1.00 0.00 C ATOM 693 O GLY A 47 5.301 5.670 2.433 1.00 0.00 O ATOM 0 H GLY A 47 3.488 2.190 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.104 4.317 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.769 3.995 4.306 1.00 0.00 H new ATOM 697 N PHE A 48 3.575 4.435 1.889 1.00 0.00 N ATOM 698 CA PHE A 48 3.349 5.236 0.655 1.00 0.00 C ATOM 699 C PHE A 48 2.141 6.128 0.888 1.00 0.00 C ATOM 700 O PHE A 48 1.873 7.048 0.142 1.00 0.00 O ATOM 701 CB PHE A 48 3.075 4.309 -0.527 1.00 0.00 C ATOM 702 CG PHE A 48 4.230 3.350 -0.712 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.510 3.673 -0.232 1.00 0.00 C ATOM 704 CD2 PHE A 48 4.021 2.134 -1.371 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.569 2.781 -0.415 1.00 0.00 C ATOM 706 CE2 PHE A 48 5.084 1.245 -1.553 1.00 0.00 C ATOM 707 CZ PHE A 48 6.358 1.570 -1.076 1.00 0.00 C ATOM 0 H PHE A 48 2.920 3.668 2.038 1.00 0.00 H new ATOM 0 HA PHE A 48 4.232 5.835 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.153 3.752 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.930 4.896 -1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.675 4.610 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.038 1.882 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.553 3.029 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.922 0.307 -2.062 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.179 0.883 -1.219 1.00 0.00 H new ATOM 717 N CYS A 49 1.416 5.862 1.931 1.00 0.00 N ATOM 718 CA CYS A 49 0.225 6.693 2.234 1.00 0.00 C ATOM 719 C CYS A 49 -0.066 6.632 3.733 1.00 0.00 C ATOM 720 O CYS A 49 0.575 5.912 4.472 1.00 0.00 O ATOM 721 CB CYS A 49 -0.969 6.166 1.444 1.00 0.00 C ATOM 722 SG CYS A 49 -2.116 7.525 1.110 1.00 0.00 S ATOM 0 H CYS A 49 1.596 5.104 2.589 1.00 0.00 H new ATOM 0 HA CYS A 49 0.412 7.729 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.632 5.722 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.473 5.380 2.007 1.00 0.00 H new ATOM 727 N GLU A 50 -1.025 7.389 4.187 1.00 0.00 N ATOM 728 CA GLU A 50 -1.358 7.382 5.637 1.00 0.00 C ATOM 729 C GLU A 50 -2.721 6.715 5.835 1.00 0.00 C ATOM 730 O GLU A 50 -3.569 6.758 4.966 1.00 0.00 O ATOM 731 CB GLU A 50 -1.413 8.823 6.145 1.00 0.00 C ATOM 732 CG GLU A 50 -2.673 9.505 5.607 1.00 0.00 C ATOM 733 CD GLU A 50 -2.408 10.999 5.423 1.00 0.00 C ATOM 734 OE1 GLU A 50 -2.140 11.658 6.414 1.00 0.00 O ATOM 735 OE2 GLU A 50 -2.475 11.459 4.295 1.00 0.00 O ATOM 0 H GLU A 50 -1.593 8.013 3.615 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.599 6.830 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.417 8.836 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.526 9.368 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.964 9.057 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.503 9.355 6.297 1.00 0.00 H new ATOM 742 N PRO A 51 -2.940 6.106 6.972 1.00 0.00 N ATOM 743 CA PRO A 51 -4.226 5.425 7.273 1.00 0.00 C ATOM 744 C PRO A 51 -5.435 6.281 6.879 1.00 0.00 C ATOM 745 O PRO A 51 -5.411 7.467 7.161 1.00 0.00 O ATOM 746 CB PRO A 51 -4.187 5.221 8.788 1.00 0.00 C ATOM 747 CG PRO A 51 -2.737 5.186 9.149 1.00 0.00 C ATOM 748 CD PRO A 51 -1.987 5.998 8.090 1.00 0.00 C ATOM 749 OXT PRO A 51 -6.359 5.734 6.302 1.00 0.00 O ATOM 0 HA PRO A 51 -4.334 4.495 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.701 6.030 9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.685 4.294 9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.577 5.608 10.141 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.372 4.159 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.705 6.980 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.068 5.499 7.783 1.00 0.00 H new TER 757 PRO A 51