USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 TYR OH : rot 180:sc= 0.0851 USER MOD Set 1.2: A 62 ASN : amide:sc= -5.65! C(o=-5.6!,f=-6.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.0625 USER MOD Single : A 10 THR OG1 : rot -68:sc= -0.194! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.0028) USER MOD Single : A 25 GLN : amide:sc= 0.951 K(o=0.95,f=-5.6!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -127:sc= -4.42! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -176:sc= -23.1! (180deg=-23.8!) USER MOD Single : A 49 ASN : amide:sc= -10.6! C(o=-11!,f=-24!) USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.0456 (180deg=-0.355) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.924! C(o=-5!,f=-0.92!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.557 -6.234 -4.001 1.00 0.00 N ATOM 31 CA THR A 3 3.281 -6.516 -5.404 1.00 0.00 C ATOM 32 C THR A 3 3.165 -8.013 -5.628 1.00 0.00 C ATOM 33 O THR A 3 3.821 -8.802 -4.950 1.00 0.00 O ATOM 34 CB THR A 3 4.420 -5.965 -6.261 1.00 0.00 C ATOM 35 OG1 THR A 3 5.587 -6.747 -6.047 1.00 0.00 O ATOM 36 CG2 THR A 3 4.708 -4.521 -5.858 1.00 0.00 C ATOM 0 HA THR A 3 2.340 -6.042 -5.683 1.00 0.00 H new ATOM 0 HB THR A 3 4.135 -6.003 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.320 -6.398 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.520 -4.128 -6.469 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.814 -3.916 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.995 -4.487 -4.807 1.00 0.00 H new ATOM 44 N PHE A 4 2.325 -8.402 -6.580 1.00 0.00 N ATOM 45 CA PHE A 4 2.130 -9.813 -6.875 1.00 0.00 C ATOM 46 C PHE A 4 2.658 -10.145 -8.268 1.00 0.00 C ATOM 47 O PHE A 4 2.431 -9.399 -9.222 1.00 0.00 O ATOM 48 CB PHE A 4 0.640 -10.149 -6.800 1.00 0.00 C ATOM 49 CG PHE A 4 0.134 -9.904 -5.399 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.259 -10.902 -4.424 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.466 -8.681 -5.073 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.213 -10.677 -3.126 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.938 -8.456 -3.774 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.813 -9.454 -2.802 1.00 0.00 C ATOM 0 H PHE A 4 1.773 -7.765 -7.155 1.00 0.00 H new ATOM 0 HA PHE A 4 2.679 -10.404 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.083 -9.538 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.477 -11.190 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.720 -11.846 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.565 -7.911 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.115 -11.446 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.399 -7.512 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.180 -9.281 -1.801 1.00 0.00 H new ATOM 64 N THR A 5 3.363 -11.266 -8.379 1.00 0.00 N ATOM 65 CA THR A 5 3.917 -11.687 -9.662 1.00 0.00 C ATOM 66 C THR A 5 3.460 -13.101 -10.005 1.00 0.00 C ATOM 67 O THR A 5 3.542 -14.007 -9.176 1.00 0.00 O ATOM 68 CB THR A 5 5.447 -11.639 -9.610 1.00 0.00 C ATOM 69 OG1 THR A 5 5.869 -10.314 -9.323 1.00 0.00 O ATOM 70 CG2 THR A 5 6.020 -12.080 -10.957 1.00 0.00 C ATOM 0 H THR A 5 3.564 -11.896 -7.602 1.00 0.00 H new ATOM 0 HA THR A 5 3.558 -11.006 -10.434 1.00 0.00 H new ATOM 0 HB THR A 5 5.805 -12.310 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.848 -10.283 -9.288 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.109 -12.045 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.697 -13.098 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.663 -11.411 -11.741 1.00 0.00 H new ATOM 78 N SER A 6 2.982 -13.286 -11.231 1.00 0.00 N ATOM 79 CA SER A 6 2.518 -14.598 -11.669 1.00 0.00 C ATOM 80 C SER A 6 3.208 -15.000 -12.970 1.00 0.00 C ATOM 81 O SER A 6 3.574 -14.146 -13.778 1.00 0.00 O ATOM 82 CB SER A 6 1.004 -14.576 -11.876 1.00 0.00 C ATOM 83 OG SER A 6 0.366 -14.275 -10.641 1.00 0.00 O ATOM 0 H SER A 6 2.906 -12.551 -11.934 1.00 0.00 H new ATOM 0 HA SER A 6 2.765 -15.327 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.739 -13.832 -12.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.662 -15.541 -12.250 1.00 0.00 H new ATOM 0 HG SER A 6 -0.605 -14.258 -10.770 1.00 0.00 H new ATOM 89 N ILE A 7 3.375 -16.303 -13.168 1.00 0.00 N ATOM 90 CA ILE A 7 4.014 -16.817 -14.375 1.00 0.00 C ATOM 91 C ILE A 7 3.298 -18.084 -14.832 1.00 0.00 C ATOM 92 O ILE A 7 2.651 -18.756 -14.030 1.00 0.00 O ATOM 93 CB ILE A 7 5.485 -17.129 -14.095 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.014 -16.172 -13.024 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.296 -16.954 -15.377 1.00 0.00 C ATOM 96 CD1 ILE A 7 5.865 -16.816 -11.645 1.00 0.00 C ATOM 0 H ILE A 7 3.077 -17.022 -12.509 1.00 0.00 H new ATOM 0 HA ILE A 7 3.954 -16.063 -15.160 1.00 0.00 H new ATOM 0 HB ILE A 7 5.578 -18.157 -13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.061 -15.937 -13.216 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.465 -15.231 -13.059 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.344 -17.176 -15.178 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.920 -17.634 -16.141 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.204 -15.926 -15.729 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.242 -16.134 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.813 -17.028 -11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.434 -17.745 -11.614 1.00 0.00 H new ATOM 108 N VAL A 8 3.412 -18.416 -16.117 1.00 0.00 N ATOM 109 CA VAL A 8 2.758 -19.614 -16.624 1.00 0.00 C ATOM 110 C VAL A 8 3.678 -20.823 -16.488 1.00 0.00 C ATOM 111 O VAL A 8 4.627 -20.990 -17.253 1.00 0.00 O ATOM 112 CB VAL A 8 2.379 -19.427 -18.094 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.725 -20.706 -18.618 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.396 -18.263 -18.224 1.00 0.00 C ATOM 0 H VAL A 8 3.939 -17.884 -16.810 1.00 0.00 H new ATOM 0 HA VAL A 8 1.856 -19.785 -16.037 1.00 0.00 H new ATOM 0 HB VAL A 8 3.276 -19.212 -18.675 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.455 -20.574 -19.666 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.425 -21.537 -18.526 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.829 -20.921 -18.036 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.126 -18.130 -19.272 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.499 -18.477 -17.643 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.861 -17.351 -17.850 1.00 0.00 H new ATOM 124 N THR A 9 3.370 -21.662 -15.510 1.00 0.00 N ATOM 125 CA THR A 9 4.142 -22.872 -15.256 1.00 0.00 C ATOM 126 C THR A 9 3.244 -23.915 -14.612 1.00 0.00 C ATOM 127 O THR A 9 2.410 -23.570 -13.775 1.00 0.00 O ATOM 128 CB THR A 9 5.310 -22.560 -14.320 1.00 0.00 C ATOM 129 OG1 THR A 9 6.480 -22.310 -15.085 1.00 0.00 O ATOM 130 CG2 THR A 9 5.541 -23.745 -13.383 1.00 0.00 C ATOM 0 H THR A 9 2.584 -21.526 -14.874 1.00 0.00 H new ATOM 0 HA THR A 9 4.533 -23.253 -16.200 1.00 0.00 H new ATOM 0 HB THR A 9 5.077 -21.675 -13.728 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.235 -21.859 -15.920 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.374 -23.524 -12.715 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.641 -23.924 -12.794 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.773 -24.633 -13.970 1.00 0.00 H new ATOM 138 N THR A 10 3.401 -25.187 -14.965 1.00 0.00 N ATOM 139 CA THR A 10 2.555 -26.187 -14.335 1.00 0.00 C ATOM 140 C THR A 10 3.365 -27.286 -13.669 1.00 0.00 C ATOM 141 O THR A 10 3.774 -28.255 -14.305 1.00 0.00 O ATOM 142 CB THR A 10 1.622 -26.805 -15.374 1.00 0.00 C ATOM 143 OG1 THR A 10 1.433 -28.183 -15.077 1.00 0.00 O ATOM 144 CG2 THR A 10 2.235 -26.659 -16.766 1.00 0.00 C ATOM 0 H THR A 10 4.072 -25.536 -15.650 1.00 0.00 H new ATOM 0 HA THR A 10 1.977 -25.682 -13.561 1.00 0.00 H new ATOM 0 HB THR A 10 0.660 -26.292 -15.350 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.271 -28.668 -15.227 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.567 -27.101 -17.506 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.378 -25.602 -16.992 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.198 -27.170 -16.795 1.00 0.00 H new ATOM 152 N ASN A 11 3.596 -27.107 -12.374 1.00 0.00 N ATOM 153 CA ASN A 11 4.366 -28.075 -11.612 1.00 0.00 C ATOM 154 C ASN A 11 3.845 -28.199 -10.192 1.00 0.00 C ATOM 155 O ASN A 11 4.581 -27.996 -9.225 1.00 0.00 O ATOM 156 CB ASN A 11 5.832 -27.650 -11.589 1.00 0.00 C ATOM 157 CG ASN A 11 6.721 -28.882 -11.584 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.992 -29.456 -10.529 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.170 -29.339 -12.718 1.00 0.00 N ATOM 0 H ASN A 11 3.263 -26.307 -11.836 1.00 0.00 H new ATOM 0 HA ASN A 11 4.268 -29.048 -12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.055 -27.032 -12.459 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.031 -27.042 -10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.750 -30.178 -12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.941 -28.858 -13.588 1.00 0.00 H new ATOM 246 N GLU A 18 2.590 -24.275 -2.287 1.00 0.00 N ATOM 247 CA GLU A 18 2.375 -23.293 -3.345 1.00 0.00 C ATOM 248 C GLU A 18 0.925 -23.359 -3.803 1.00 0.00 C ATOM 249 O GLU A 18 0.327 -24.437 -3.816 1.00 0.00 O ATOM 250 CB GLU A 18 3.301 -23.563 -4.536 1.00 0.00 C ATOM 251 CG GLU A 18 4.607 -22.782 -4.366 1.00 0.00 C ATOM 252 CD GLU A 18 5.552 -23.538 -3.439 1.00 0.00 C ATOM 253 OE1 GLU A 18 5.396 -24.742 -3.317 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.421 -22.901 -2.866 1.00 0.00 O ATOM 0 HA GLU A 18 2.599 -22.301 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.512 -24.630 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.810 -23.270 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.080 -22.633 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.398 -21.793 -3.958 1.00 0.00 H new ATOM 261 N PHE A 19 0.352 -22.222 -4.180 1.00 0.00 N ATOM 262 CA PHE A 19 -1.032 -22.206 -4.630 1.00 0.00 C ATOM 263 C PHE A 19 -1.088 -21.984 -6.138 1.00 0.00 C ATOM 264 O PHE A 19 -0.441 -21.078 -6.666 1.00 0.00 O ATOM 265 CB PHE A 19 -1.805 -21.098 -3.912 1.00 0.00 C ATOM 266 CG PHE A 19 -3.248 -21.135 -4.348 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.136 -22.032 -3.744 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.698 -20.275 -5.357 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.475 -22.070 -4.149 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.036 -20.313 -5.760 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.926 -21.211 -5.157 1.00 0.00 C ATOM 0 H PHE A 19 0.816 -21.314 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.490 -23.167 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.736 -21.231 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.368 -20.126 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.788 -22.695 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.012 -19.583 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.160 -22.763 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.384 -19.649 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.959 -21.240 -5.470 1.00 0.00 H new ATOM 281 N TYR A 20 -1.863 -22.814 -6.827 1.00 0.00 N ATOM 282 CA TYR A 20 -1.989 -22.694 -8.275 1.00 0.00 C ATOM 283 C TYR A 20 -3.456 -22.660 -8.691 1.00 0.00 C ATOM 284 O TYR A 20 -4.272 -23.420 -8.168 1.00 0.00 O ATOM 285 CB TYR A 20 -1.314 -23.889 -8.953 1.00 0.00 C ATOM 286 CG TYR A 20 0.155 -23.916 -8.608 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.076 -23.238 -9.415 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.597 -24.622 -7.484 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.438 -23.266 -9.097 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.960 -24.651 -7.166 1.00 0.00 C ATOM 291 CZ TYR A 20 2.880 -23.974 -7.973 1.00 0.00 C ATOM 292 OH TYR A 20 4.225 -24.002 -7.660 1.00 0.00 O ATOM 0 H TYR A 20 -2.408 -23.570 -6.412 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.509 -21.765 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.789 -24.816 -8.631 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.441 -23.824 -10.034 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.735 -22.693 -10.283 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.114 -25.145 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.149 -22.741 -9.719 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.301 -25.196 -6.298 1.00 0.00 H new ATOM 0 HH TYR A 20 4.361 -24.536 -6.850 1.00 0.00 H new ATOM 302 N VAL A 21 -3.786 -21.791 -9.641 1.00 0.00 N ATOM 303 CA VAL A 21 -5.160 -21.696 -10.117 1.00 0.00 C ATOM 304 C VAL A 21 -5.359 -22.623 -11.311 1.00 0.00 C ATOM 305 O VAL A 21 -4.722 -22.457 -12.351 1.00 0.00 O ATOM 306 CB VAL A 21 -5.485 -20.258 -10.536 1.00 0.00 C ATOM 307 CG1 VAL A 21 -6.905 -20.204 -11.105 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.395 -19.330 -9.321 1.00 0.00 C ATOM 0 H VAL A 21 -3.131 -21.151 -10.091 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.827 -21.990 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.770 -19.935 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.139 -19.182 -11.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.975 -20.861 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.614 -20.531 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.627 -18.309 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.108 -19.654 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.386 -19.366 -8.910 1.00 0.00 H new ATOM 318 N GLU A 22 -6.247 -23.597 -11.154 1.00 0.00 N ATOM 319 CA GLU A 22 -6.523 -24.542 -12.227 1.00 0.00 C ATOM 320 C GLU A 22 -7.282 -23.852 -13.350 1.00 0.00 C ATOM 321 O GLU A 22 -8.230 -23.108 -13.101 1.00 0.00 O ATOM 322 CB GLU A 22 -7.349 -25.713 -11.691 1.00 0.00 C ATOM 323 CG GLU A 22 -7.561 -26.742 -12.803 1.00 0.00 C ATOM 324 CD GLU A 22 -8.338 -27.938 -12.263 1.00 0.00 C ATOM 325 OE1 GLU A 22 -8.584 -28.854 -13.030 1.00 0.00 O ATOM 326 OE2 GLU A 22 -8.675 -27.919 -11.091 1.00 0.00 O ATOM 0 H GLU A 22 -6.784 -23.752 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.577 -24.918 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.838 -26.175 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.311 -25.355 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.105 -26.288 -13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.598 -27.070 -13.195 1.00 0.00 H new ATOM 333 N ALA A 23 -6.864 -24.088 -14.589 1.00 0.00 N ATOM 334 CA ALA A 23 -7.530 -23.461 -15.720 1.00 0.00 C ATOM 335 C ALA A 23 -9.037 -23.521 -15.518 1.00 0.00 C ATOM 336 O ALA A 23 -9.598 -24.587 -15.267 1.00 0.00 O ATOM 337 CB ALA A 23 -7.152 -24.177 -17.016 1.00 0.00 C ATOM 0 H ALA A 23 -6.082 -24.697 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.214 -22.420 -15.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.656 -23.699 -17.856 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.073 -24.121 -17.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.457 -25.222 -16.957 1.00 0.00 H new ATOM 343 N GLY A 24 -9.684 -22.366 -15.613 1.00 0.00 N ATOM 344 CA GLY A 24 -11.127 -22.297 -15.419 1.00 0.00 C ATOM 345 C GLY A 24 -11.468 -22.278 -13.931 1.00 0.00 C ATOM 346 O GLY A 24 -12.628 -22.429 -13.547 1.00 0.00 O ATOM 0 H GLY A 24 -9.238 -21.473 -15.821 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.522 -21.402 -15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.605 -23.152 -15.896 1.00 0.00 H new ATOM 350 N GLN A 25 -10.445 -22.093 -13.097 1.00 0.00 N ATOM 351 CA GLN A 25 -10.641 -22.056 -11.651 1.00 0.00 C ATOM 352 C GLN A 25 -10.501 -20.632 -11.128 1.00 0.00 C ATOM 353 O GLN A 25 -9.595 -19.901 -11.530 1.00 0.00 O ATOM 354 CB GLN A 25 -9.625 -22.960 -10.959 1.00 0.00 C ATOM 355 CG GLN A 25 -9.881 -22.937 -9.454 1.00 0.00 C ATOM 356 CD GLN A 25 -8.918 -23.879 -8.750 1.00 0.00 C ATOM 357 OE1 GLN A 25 -7.703 -23.692 -8.812 1.00 0.00 O ATOM 358 NE2 GLN A 25 -9.392 -24.895 -8.087 1.00 0.00 N ATOM 0 H GLN A 25 -9.478 -21.967 -13.397 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.647 -22.414 -11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.707 -23.978 -11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.612 -22.620 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.758 -21.924 -9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.909 -23.233 -9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.399 -25.047 -8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.756 -25.539 -7.617 1.00 0.00 H new ATOM 367 N GLN A 26 -11.404 -20.240 -10.235 1.00 0.00 N ATOM 368 CA GLN A 26 -11.364 -18.894 -9.675 1.00 0.00 C ATOM 369 C GLN A 26 -10.388 -18.818 -8.509 1.00 0.00 C ATOM 370 O GLN A 26 -10.531 -19.526 -7.511 1.00 0.00 O ATOM 371 CB GLN A 26 -12.754 -18.478 -9.197 1.00 0.00 C ATOM 372 CG GLN A 26 -12.704 -17.038 -8.683 1.00 0.00 C ATOM 373 CD GLN A 26 -14.100 -16.584 -8.270 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.070 -17.323 -8.438 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.262 -15.404 -7.737 1.00 0.00 N ATOM 0 H GLN A 26 -12.163 -20.826 -9.887 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.029 -18.216 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.471 -18.560 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.094 -19.147 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.024 -16.969 -7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.313 -16.379 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.458 -14.792 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.193 -15.093 -7.459 1.00 0.00 H new ATOM 384 N PHE A 27 -9.398 -17.948 -8.647 1.00 0.00 N ATOM 385 CA PHE A 27 -8.391 -17.768 -7.610 1.00 0.00 C ATOM 386 C PHE A 27 -9.040 -17.321 -6.303 1.00 0.00 C ATOM 387 O PHE A 27 -9.853 -16.396 -6.288 1.00 0.00 O ATOM 388 CB PHE A 27 -7.371 -16.725 -8.064 1.00 0.00 C ATOM 389 CG PHE A 27 -6.385 -16.463 -6.952 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.501 -15.303 -6.177 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.356 -17.376 -6.700 1.00 0.00 C ATOM 392 CE1 PHE A 27 -5.585 -15.055 -5.149 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.440 -17.128 -5.672 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.555 -15.966 -4.898 1.00 0.00 C ATOM 0 H PHE A 27 -9.270 -17.355 -9.467 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.889 -18.720 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.847 -17.077 -8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.879 -15.800 -8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.297 -14.600 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.269 -18.271 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.674 -14.161 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.645 -17.832 -5.475 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.847 -15.774 -4.106 1.00 0.00 H new ATOM 404 N ASP A 28 -8.669 -17.977 -5.207 1.00 0.00 N ATOM 405 CA ASP A 28 -9.216 -17.632 -3.900 1.00 0.00 C ATOM 406 C ASP A 28 -8.313 -16.625 -3.198 1.00 0.00 C ATOM 407 O ASP A 28 -7.294 -16.993 -2.615 1.00 0.00 O ATOM 408 CB ASP A 28 -9.350 -18.889 -3.039 1.00 0.00 C ATOM 409 CG ASP A 28 -9.958 -18.531 -1.687 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.135 -17.351 -1.433 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.236 -19.442 -0.925 1.00 0.00 O ATOM 0 H ASP A 28 -7.997 -18.744 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.201 -17.187 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.977 -19.622 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.372 -19.349 -2.897 1.00 0.00 H new ATOM 416 N ASP A 29 -8.693 -15.354 -3.260 1.00 0.00 N ATOM 417 CA ASP A 29 -7.905 -14.304 -2.626 1.00 0.00 C ATOM 418 C ASP A 29 -8.101 -14.312 -1.114 1.00 0.00 C ATOM 419 O ASP A 29 -7.291 -13.755 -0.374 1.00 0.00 O ATOM 420 CB ASP A 29 -8.313 -12.940 -3.186 1.00 0.00 C ATOM 421 CG ASP A 29 -9.781 -12.668 -2.877 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.394 -13.500 -2.226 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.272 -11.632 -3.293 1.00 0.00 O ATOM 0 H ASP A 29 -9.533 -15.028 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.853 -14.491 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.690 -12.158 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.149 -12.916 -4.263 1.00 0.00 H new ATOM 428 N SER A 30 -9.177 -14.947 -0.658 1.00 0.00 N ATOM 429 CA SER A 30 -9.455 -15.014 0.771 1.00 0.00 C ATOM 430 C SER A 30 -8.384 -15.823 1.499 1.00 0.00 C ATOM 431 O SER A 30 -7.917 -15.431 2.567 1.00 0.00 O ATOM 432 CB SER A 30 -10.823 -15.652 1.005 1.00 0.00 C ATOM 433 OG SER A 30 -11.833 -14.805 0.475 1.00 0.00 O ATOM 0 H SER A 30 -9.862 -15.417 -1.250 1.00 0.00 H new ATOM 0 HA SER A 30 -9.451 -13.998 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.867 -16.631 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.986 -15.809 2.071 1.00 0.00 H new ATOM 0 HG SER A 30 -12.712 -15.212 0.622 1.00 0.00 H new ATOM 439 N ALA A 31 -8.005 -16.955 0.912 1.00 0.00 N ATOM 440 CA ALA A 31 -6.993 -17.817 1.513 1.00 0.00 C ATOM 441 C ALA A 31 -5.643 -17.117 1.573 1.00 0.00 C ATOM 442 O ALA A 31 -4.903 -17.255 2.545 1.00 0.00 O ATOM 443 CB ALA A 31 -6.866 -19.118 0.724 1.00 0.00 C ATOM 0 H ALA A 31 -8.381 -17.295 0.027 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.310 -18.044 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.107 -19.750 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.823 -19.640 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.577 -18.894 -0.303 1.00 0.00 H new ATOM 449 N TYR A 32 -5.327 -16.367 0.526 1.00 0.00 N ATOM 450 CA TYR A 32 -4.064 -15.649 0.474 1.00 0.00 C ATOM 451 C TYR A 32 -3.959 -14.687 1.647 1.00 0.00 C ATOM 452 O TYR A 32 -2.884 -14.499 2.214 1.00 0.00 O ATOM 453 CB TYR A 32 -3.945 -14.882 -0.842 1.00 0.00 C ATOM 454 CG TYR A 32 -3.281 -15.760 -1.875 1.00 0.00 C ATOM 455 CD1 TYR A 32 -3.878 -16.967 -2.260 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.067 -15.365 -2.450 1.00 0.00 C ATOM 457 CE1 TYR A 32 -3.259 -17.778 -3.220 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.449 -16.175 -3.407 1.00 0.00 C ATOM 459 CZ TYR A 32 -2.044 -17.381 -3.793 1.00 0.00 C ATOM 460 OH TYR A 32 -1.435 -18.179 -4.740 1.00 0.00 O ATOM 0 H TYR A 32 -5.923 -16.241 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.250 -16.371 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.932 -14.577 -1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.364 -13.972 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.815 -17.272 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.608 -14.434 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.718 -18.709 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.512 -15.870 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.508 -18.353 -4.474 1.00 0.00 H new ATOM 470 N GLU A 33 -5.083 -14.081 2.009 1.00 0.00 N ATOM 471 CA GLU A 33 -5.094 -13.146 3.122 1.00 0.00 C ATOM 472 C GLU A 33 -4.706 -13.871 4.402 1.00 0.00 C ATOM 473 O GLU A 33 -3.920 -13.366 5.201 1.00 0.00 O ATOM 474 CB GLU A 33 -6.490 -12.546 3.281 1.00 0.00 C ATOM 475 CG GLU A 33 -6.802 -11.677 2.066 1.00 0.00 C ATOM 476 CD GLU A 33 -8.195 -11.072 2.198 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.548 -10.260 1.359 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.888 -11.430 3.136 1.00 0.00 O ATOM 0 H GLU A 33 -5.986 -14.218 1.554 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.379 -12.347 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.231 -13.339 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.542 -11.950 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.060 -10.884 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.741 -12.275 1.157 1.00 0.00 H new ATOM 485 N GLU A 34 -5.251 -15.068 4.578 1.00 0.00 N ATOM 486 CA GLU A 34 -4.945 -15.875 5.750 1.00 0.00 C ATOM 487 C GLU A 34 -3.660 -16.663 5.528 1.00 0.00 C ATOM 488 O GLU A 34 -3.018 -17.111 6.478 1.00 0.00 O ATOM 489 CB GLU A 34 -6.100 -16.839 6.031 1.00 0.00 C ATOM 490 CG GLU A 34 -6.227 -17.836 4.879 1.00 0.00 C ATOM 491 CD GLU A 34 -7.406 -18.770 5.127 1.00 0.00 C ATOM 492 OE1 GLU A 34 -8.051 -18.620 6.151 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.649 -19.621 4.286 1.00 0.00 O ATOM 0 H GLU A 34 -5.905 -15.500 3.925 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.809 -15.214 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.925 -17.370 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.030 -16.283 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.366 -17.302 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.308 -18.414 4.784 1.00 0.00 H new ATOM 500 N ALA A 35 -3.298 -16.832 4.260 1.00 0.00 N ATOM 501 CA ALA A 35 -2.096 -17.576 3.906 1.00 0.00 C ATOM 502 C ALA A 35 -0.849 -16.699 4.002 1.00 0.00 C ATOM 503 O ALA A 35 0.229 -17.181 4.349 1.00 0.00 O ATOM 504 CB ALA A 35 -2.225 -18.123 2.484 1.00 0.00 C ATOM 0 H ALA A 35 -3.819 -16.465 3.463 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.991 -18.399 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.324 -18.678 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.089 -18.785 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.355 -17.296 1.786 1.00 0.00 H new ATOM 510 N TYR A 36 -0.994 -15.413 3.691 1.00 0.00 N ATOM 511 CA TYR A 36 0.138 -14.495 3.746 1.00 0.00 C ATOM 512 C TYR A 36 -0.150 -13.342 4.702 1.00 0.00 C ATOM 513 O TYR A 36 0.714 -12.501 4.950 1.00 0.00 O ATOM 514 CB TYR A 36 0.422 -13.941 2.348 1.00 0.00 C ATOM 515 CG TYR A 36 0.741 -15.081 1.410 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.276 -15.654 0.635 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.051 -15.564 1.313 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.018 -16.710 -0.236 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.345 -16.621 0.443 1.00 0.00 C ATOM 520 CZ TYR A 36 1.329 -17.194 -0.332 1.00 0.00 C ATOM 521 OH TYR A 36 1.618 -18.235 -1.190 1.00 0.00 O ATOM 0 H TYR A 36 -1.875 -14.988 3.401 1.00 0.00 H new ATOM 0 HA TYR A 36 1.009 -15.041 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.442 -13.386 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.257 -13.242 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.287 -15.281 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.835 -15.121 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.766 -17.151 -0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.356 -16.995 0.370 1.00 0.00 H new ATOM 0 HH TYR A 36 2.573 -18.448 -1.136 1.00 0.00 H new ATOM 531 N GLY A 37 -1.362 -13.317 5.244 1.00 0.00 N ATOM 532 CA GLY A 37 -1.744 -12.269 6.182 1.00 0.00 C ATOM 533 C GLY A 37 -1.763 -10.900 5.508 1.00 0.00 C ATOM 534 O GLY A 37 -1.513 -9.884 6.154 1.00 0.00 O ATOM 0 H GLY A 37 -2.091 -14.004 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.730 -12.488 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.046 -12.255 7.019 1.00 0.00 H new ATOM 538 N VAL A 38 -2.051 -10.871 4.208 1.00 0.00 N ATOM 539 CA VAL A 38 -2.084 -9.606 3.480 1.00 0.00 C ATOM 540 C VAL A 38 -3.359 -9.485 2.648 1.00 0.00 C ATOM 541 O VAL A 38 -4.007 -10.479 2.334 1.00 0.00 O ATOM 542 CB VAL A 38 -0.865 -9.504 2.562 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.413 -9.548 3.401 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.870 -10.676 1.580 1.00 0.00 C ATOM 0 H VAL A 38 -2.262 -11.695 3.645 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.067 -8.795 4.208 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.903 -8.565 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.281 -9.475 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.417 -8.714 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.453 -10.487 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.002 -10.605 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.832 -11.614 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.780 -10.645 0.981 1.00 0.00 H new ATOM 554 N SER A 39 -3.707 -8.254 2.295 1.00 0.00 N ATOM 555 CA SER A 39 -4.905 -8.007 1.498 1.00 0.00 C ATOM 556 C SER A 39 -4.607 -8.152 0.008 1.00 0.00 C ATOM 557 O SER A 39 -3.704 -7.504 -0.522 1.00 0.00 O ATOM 558 CB SER A 39 -5.438 -6.600 1.778 1.00 0.00 C ATOM 559 OG SER A 39 -5.859 -6.519 3.135 1.00 0.00 O ATOM 0 H SER A 39 -3.182 -7.416 2.545 1.00 0.00 H new ATOM 0 HA SER A 39 -5.657 -8.745 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.663 -5.859 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.271 -6.375 1.112 1.00 0.00 H new ATOM 0 HG SER A 39 -6.199 -5.619 3.319 1.00 0.00 H new ATOM 565 N VAL A 40 -5.376 -9.008 -0.663 1.00 0.00 N ATOM 566 CA VAL A 40 -5.191 -9.237 -2.093 1.00 0.00 C ATOM 567 C VAL A 40 -6.250 -8.486 -2.895 1.00 0.00 C ATOM 568 O VAL A 40 -7.437 -8.811 -2.825 1.00 0.00 O ATOM 569 CB VAL A 40 -5.287 -10.732 -2.399 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.074 -10.966 -3.895 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.214 -11.485 -1.607 1.00 0.00 C ATOM 0 H VAL A 40 -6.129 -9.551 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.205 -8.870 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.274 -11.096 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.143 -12.032 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.838 -10.432 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.088 -10.601 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.282 -12.551 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.228 -11.119 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.368 -11.322 -0.540 1.00 0.00 H new ATOM 581 N PRO A 41 -5.848 -7.491 -3.637 1.00 0.00 N ATOM 582 CA PRO A 41 -6.784 -6.666 -4.464 1.00 0.00 C ATOM 583 C PRO A 41 -7.577 -7.505 -5.465 1.00 0.00 C ATOM 584 O PRO A 41 -7.022 -8.366 -6.148 1.00 0.00 O ATOM 585 CB PRO A 41 -5.851 -5.695 -5.198 1.00 0.00 C ATOM 586 CG PRO A 41 -4.614 -5.641 -4.368 1.00 0.00 C ATOM 587 CD PRO A 41 -4.457 -7.035 -3.775 1.00 0.00 C ATOM 0 HA PRO A 41 -7.538 -6.173 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.633 -6.045 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.305 -4.709 -5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.748 -5.373 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.701 -4.889 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.880 -7.689 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.943 -7.010 -2.814 1.00 0.00 H new ATOM 595 N SER A 42 -8.882 -7.255 -5.533 1.00 0.00 N ATOM 596 CA SER A 42 -9.760 -7.995 -6.436 1.00 0.00 C ATOM 597 C SER A 42 -9.342 -7.821 -7.894 1.00 0.00 C ATOM 598 O SER A 42 -9.434 -8.760 -8.686 1.00 0.00 O ATOM 599 CB SER A 42 -11.202 -7.518 -6.262 1.00 0.00 C ATOM 600 OG SER A 42 -11.655 -7.864 -4.959 1.00 0.00 O ATOM 0 H SER A 42 -9.355 -6.545 -4.974 1.00 0.00 H new ATOM 0 HA SER A 42 -9.682 -9.052 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.261 -6.439 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.842 -7.975 -7.016 1.00 0.00 H new ATOM 0 HG SER A 42 -12.579 -7.559 -4.842 1.00 0.00 H new ATOM 606 N ALA A 43 -8.899 -6.621 -8.254 1.00 0.00 N ATOM 607 CA ALA A 43 -8.493 -6.363 -9.631 1.00 0.00 C ATOM 608 C ALA A 43 -7.365 -7.306 -10.035 1.00 0.00 C ATOM 609 O ALA A 43 -7.363 -7.846 -11.141 1.00 0.00 O ATOM 610 CB ALA A 43 -8.025 -4.913 -9.774 1.00 0.00 C ATOM 0 H ALA A 43 -8.813 -5.824 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.349 -6.533 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.723 -4.728 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.840 -4.240 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.178 -4.737 -9.111 1.00 0.00 H new ATOM 616 N VAL A 44 -6.421 -7.522 -9.127 1.00 0.00 N ATOM 617 CA VAL A 44 -5.310 -8.426 -9.397 1.00 0.00 C ATOM 618 C VAL A 44 -5.835 -9.845 -9.593 1.00 0.00 C ATOM 619 O VAL A 44 -5.392 -10.574 -10.482 1.00 0.00 O ATOM 620 CB VAL A 44 -4.316 -8.399 -8.236 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.278 -9.508 -8.424 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.610 -7.041 -8.203 1.00 0.00 C ATOM 0 H VAL A 44 -6.402 -7.087 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.803 -8.101 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.849 -8.557 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.570 -9.488 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.780 -10.475 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.744 -9.352 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.901 -7.020 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.078 -6.885 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.348 -6.250 -8.068 1.00 0.00 H new ATOM 632 N VAL A 45 -6.782 -10.224 -8.741 1.00 0.00 N ATOM 633 CA VAL A 45 -7.384 -11.552 -8.788 1.00 0.00 C ATOM 634 C VAL A 45 -8.098 -11.796 -10.115 1.00 0.00 C ATOM 635 O VAL A 45 -8.029 -12.893 -10.668 1.00 0.00 O ATOM 636 CB VAL A 45 -8.383 -11.701 -7.640 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.169 -13.000 -7.812 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.628 -11.732 -6.310 1.00 0.00 C ATOM 0 H VAL A 45 -7.152 -9.624 -8.003 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.586 -12.288 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.073 -10.857 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.881 -13.106 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.707 -12.977 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.481 -13.845 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.339 -11.838 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.938 -12.575 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.069 -10.804 -6.187 1.00 0.00 H new ATOM 648 N GLU A 46 -8.796 -10.787 -10.623 1.00 0.00 N ATOM 649 CA GLU A 46 -9.509 -10.954 -11.884 1.00 0.00 C ATOM 650 C GLU A 46 -8.527 -11.264 -13.012 1.00 0.00 C ATOM 651 O GLU A 46 -8.759 -12.167 -13.815 1.00 0.00 O ATOM 652 CB GLU A 46 -10.289 -9.682 -12.218 1.00 0.00 C ATOM 653 CG GLU A 46 -11.462 -9.532 -11.248 1.00 0.00 C ATOM 654 CD GLU A 46 -12.141 -8.181 -11.453 1.00 0.00 C ATOM 655 OE1 GLU A 46 -11.568 -7.352 -12.140 1.00 0.00 O ATOM 656 OE2 GLU A 46 -13.223 -7.998 -10.921 1.00 0.00 O ATOM 0 H GLU A 46 -8.883 -9.866 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.205 -11.786 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.634 -8.813 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.655 -9.726 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.180 -10.337 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.108 -9.618 -10.221 1.00 0.00 H new ATOM 663 N GLU A 47 -7.439 -10.500 -13.079 1.00 0.00 N ATOM 664 CA GLU A 47 -6.444 -10.698 -14.128 1.00 0.00 C ATOM 665 C GLU A 47 -5.854 -12.102 -14.064 1.00 0.00 C ATOM 666 O GLU A 47 -5.724 -12.774 -15.088 1.00 0.00 O ATOM 667 CB GLU A 47 -5.323 -9.667 -13.984 1.00 0.00 C ATOM 668 CG GLU A 47 -4.302 -9.859 -15.107 1.00 0.00 C ATOM 669 CD GLU A 47 -3.200 -8.812 -14.991 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.302 -8.832 -15.818 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.269 -8.007 -14.077 1.00 0.00 O ATOM 0 H GLU A 47 -7.226 -9.746 -12.426 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.938 -10.572 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.735 -8.659 -14.022 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.837 -9.776 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.872 -10.859 -15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.794 -9.776 -16.076 1.00 0.00 H new ATOM 678 N MET A 48 -5.504 -12.550 -12.863 1.00 0.00 N ATOM 679 CA MET A 48 -4.938 -13.883 -12.708 1.00 0.00 C ATOM 680 C MET A 48 -6.002 -14.934 -13.010 1.00 0.00 C ATOM 681 O MET A 48 -5.721 -15.954 -13.638 1.00 0.00 O ATOM 682 CB MET A 48 -4.393 -14.071 -11.289 1.00 0.00 C ATOM 683 CG MET A 48 -5.537 -14.029 -10.280 1.00 0.00 C ATOM 684 SD MET A 48 -4.858 -14.152 -8.610 1.00 0.00 S ATOM 685 CE MET A 48 -4.247 -15.850 -8.746 1.00 0.00 C ATOM 0 H MET A 48 -5.600 -12.020 -11.997 1.00 0.00 H new ATOM 0 HA MET A 48 -4.113 -14.000 -13.411 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.867 -15.023 -11.216 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.669 -13.289 -11.062 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.101 -13.103 -10.389 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.232 -14.849 -10.465 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.841 -16.169 -7.786 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.066 -16.510 -9.031 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.464 -15.896 -9.503 1.00 0.00 H new ATOM 695 N ASN A 49 -7.231 -14.663 -12.579 1.00 0.00 N ATOM 696 CA ASN A 49 -8.337 -15.578 -12.833 1.00 0.00 C ATOM 697 C ASN A 49 -8.625 -15.661 -14.327 1.00 0.00 C ATOM 698 O ASN A 49 -8.915 -16.734 -14.857 1.00 0.00 O ATOM 699 CB ASN A 49 -9.591 -15.110 -12.094 1.00 0.00 C ATOM 700 CG ASN A 49 -9.427 -15.346 -10.600 1.00 0.00 C ATOM 701 OD1 ASN A 49 -8.581 -16.139 -10.189 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.191 -14.708 -9.756 1.00 0.00 N ATOM 0 H ASN A 49 -7.484 -13.824 -12.057 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.055 -16.566 -12.470 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.764 -14.051 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.464 -15.649 -12.463 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.087 -14.866 -8.754 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.892 -14.051 -10.099 1.00 0.00 H new ATOM 709 N ALA A 50 -8.543 -14.516 -14.999 1.00 0.00 N ATOM 710 CA ALA A 50 -8.795 -14.470 -16.434 1.00 0.00 C ATOM 711 C ALA A 50 -7.790 -15.342 -17.174 1.00 0.00 C ATOM 712 O ALA A 50 -8.148 -16.072 -18.099 1.00 0.00 O ATOM 713 CB ALA A 50 -8.693 -13.030 -16.938 1.00 0.00 C ATOM 0 H ALA A 50 -8.307 -13.618 -14.578 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.800 -14.847 -16.623 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.883 -13.006 -18.011 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.430 -12.412 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.693 -12.644 -16.738 1.00 0.00 H new ATOM 719 N LYS A 51 -6.530 -15.256 -16.764 1.00 0.00 N ATOM 720 CA LYS A 51 -5.483 -16.042 -17.403 1.00 0.00 C ATOM 721 C LYS A 51 -5.767 -17.530 -17.246 1.00 0.00 C ATOM 722 O LYS A 51 -5.600 -18.302 -18.188 1.00 0.00 O ATOM 723 CB LYS A 51 -4.125 -15.711 -16.779 1.00 0.00 C ATOM 724 CG LYS A 51 -3.704 -14.298 -17.187 1.00 0.00 C ATOM 725 CD LYS A 51 -2.281 -14.028 -16.696 1.00 0.00 C ATOM 726 CE LYS A 51 -2.278 -13.924 -15.169 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.903 -13.601 -14.695 1.00 0.00 N ATOM 0 H LYS A 51 -6.212 -14.658 -16.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.463 -15.795 -18.464 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.185 -15.784 -15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.377 -16.433 -17.107 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.753 -14.191 -18.271 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.391 -13.566 -16.763 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.616 -14.829 -17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.903 -13.105 -17.135 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.976 -13.152 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.614 -14.863 -14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.957 -13.125 -13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.353 -14.479 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.438 -12.973 -15.381 1.00 0.00 H new ATOM 741 N ALA A 52 -6.210 -17.927 -16.057 1.00 0.00 N ATOM 742 CA ALA A 52 -6.524 -19.325 -15.788 1.00 0.00 C ATOM 743 C ALA A 52 -7.643 -19.816 -16.700 1.00 0.00 C ATOM 744 O ALA A 52 -7.626 -20.958 -17.160 1.00 0.00 O ATOM 745 CB ALA A 52 -6.943 -19.494 -14.327 1.00 0.00 C ATOM 0 H ALA A 52 -6.359 -17.301 -15.266 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.631 -19.918 -15.983 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.176 -20.541 -14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.128 -19.178 -13.676 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.824 -18.884 -14.128 1.00 0.00 H new ATOM 751 N ALA A 53 -8.611 -18.944 -16.958 1.00 0.00 N ATOM 752 CA ALA A 53 -9.735 -19.293 -17.819 1.00 0.00 C ATOM 753 C ALA A 53 -9.254 -19.635 -19.225 1.00 0.00 C ATOM 754 O ALA A 53 -9.781 -20.542 -19.871 1.00 0.00 O ATOM 755 CB ALA A 53 -10.723 -18.126 -17.885 1.00 0.00 C ATOM 0 H ALA A 53 -8.641 -17.995 -16.586 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.231 -20.168 -17.398 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.560 -18.394 -18.530 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.093 -17.905 -16.884 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.221 -17.247 -18.289 1.00 0.00 H new ATOM 761 N GLN A 54 -8.248 -18.903 -19.694 1.00 0.00 N ATOM 762 CA GLN A 54 -7.703 -19.137 -21.027 1.00 0.00 C ATOM 763 C GLN A 54 -6.700 -20.289 -21.006 1.00 0.00 C ATOM 764 O GLN A 54 -6.315 -20.806 -22.055 1.00 0.00 O ATOM 765 CB GLN A 54 -7.020 -17.867 -21.537 1.00 0.00 C ATOM 766 CG GLN A 54 -8.051 -16.742 -21.647 1.00 0.00 C ATOM 767 CD GLN A 54 -7.376 -15.461 -22.123 1.00 0.00 C ATOM 768 OE1 GLN A 54 -6.077 -15.414 -22.220 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -8.054 -14.473 -22.413 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.797 -18.149 -19.176 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.523 -19.403 -21.694 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.218 -17.575 -20.859 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.563 -18.052 -22.509 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.840 -17.027 -22.343 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.524 -16.575 -20.679 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.070 -14.512 -22.336 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.599 -13.617 -22.729 1.00 0.00 H new ATOM 778 N LEU A 55 -6.281 -20.685 -19.808 1.00 0.00 N ATOM 779 CA LEU A 55 -5.322 -21.776 -19.666 1.00 0.00 C ATOM 780 C LEU A 55 -5.958 -23.123 -19.991 1.00 0.00 C ATOM 781 O LEU A 55 -7.097 -23.396 -19.612 1.00 0.00 O ATOM 782 CB LEU A 55 -4.764 -21.809 -18.242 1.00 0.00 C ATOM 783 CG LEU A 55 -3.787 -20.650 -18.044 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.445 -20.514 -16.559 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.506 -20.929 -18.834 1.00 0.00 C ATOM 0 H LEU A 55 -6.587 -20.271 -18.928 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.513 -21.596 -20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.578 -21.738 -17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.259 -22.758 -18.061 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.244 -19.726 -18.397 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.748 -19.687 -16.420 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.356 -20.320 -15.992 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.987 -21.438 -16.205 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.806 -20.105 -18.696 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.053 -21.854 -18.477 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.746 -21.028 -19.893 1.00 0.00 H new ATOM 797 N LYS A 56 -5.198 -23.962 -20.686 1.00 0.00 N ATOM 798 CA LYS A 56 -5.667 -25.292 -21.057 1.00 0.00 C ATOM 799 C LYS A 56 -5.333 -26.283 -19.949 1.00 0.00 C ATOM 800 O LYS A 56 -4.658 -25.934 -18.980 1.00 0.00 O ATOM 801 CB LYS A 56 -5.005 -25.735 -22.364 1.00 0.00 C ATOM 802 CG LYS A 56 -5.458 -24.818 -23.502 1.00 0.00 C ATOM 803 CD LYS A 56 -4.800 -25.262 -24.810 1.00 0.00 C ATOM 804 CE LYS A 56 -5.254 -24.343 -25.946 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.608 -24.769 -27.220 1.00 0.00 N ATOM 0 H LYS A 56 -4.254 -23.744 -21.004 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.747 -25.261 -21.199 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.920 -25.700 -22.265 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.272 -26.768 -22.587 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.543 -24.851 -23.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.189 -23.785 -23.280 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.715 -25.230 -24.713 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.069 -26.294 -25.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.339 -24.380 -26.046 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.990 -23.310 -25.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.917 -24.144 -27.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.574 -24.712 -27.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.881 -25.749 -27.437 1.00 0.00 H new ATOM 819 N ASP A 57 -5.800 -27.519 -20.089 1.00 0.00 N ATOM 820 CA ASP A 57 -5.528 -28.536 -19.082 1.00 0.00 C ATOM 821 C ASP A 57 -4.036 -28.851 -19.047 1.00 0.00 C ATOM 822 O ASP A 57 -3.328 -28.653 -20.035 1.00 0.00 O ATOM 823 CB ASP A 57 -6.315 -29.810 -19.398 1.00 0.00 C ATOM 824 CG ASP A 57 -5.815 -30.422 -20.702 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.381 -31.419 -21.120 1.00 0.00 O ATOM 826 OD2 ASP A 57 -4.875 -29.886 -21.263 1.00 0.00 O ATOM 0 H ASP A 57 -6.361 -27.837 -20.879 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.837 -28.156 -18.108 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.204 -30.527 -18.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.378 -29.580 -19.478 1.00 0.00 H new ATOM 831 N GLY A 58 -3.563 -29.339 -17.907 1.00 0.00 N ATOM 832 CA GLY A 58 -2.150 -29.671 -17.761 1.00 0.00 C ATOM 833 C GLY A 58 -1.317 -28.414 -17.535 1.00 0.00 C ATOM 834 O GLY A 58 -0.092 -28.441 -17.655 1.00 0.00 O ATOM 0 H GLY A 58 -4.130 -29.513 -17.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.018 -30.355 -16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.800 -30.189 -18.654 1.00 0.00 H new ATOM 838 N GLU A 59 -1.988 -27.315 -17.203 1.00 0.00 N ATOM 839 CA GLU A 59 -1.296 -26.054 -16.959 1.00 0.00 C ATOM 840 C GLU A 59 -1.722 -25.451 -15.625 1.00 0.00 C ATOM 841 O GLU A 59 -2.863 -25.618 -15.192 1.00 0.00 O ATOM 842 CB GLU A 59 -1.590 -25.064 -18.085 1.00 0.00 C ATOM 843 CG GLU A 59 -0.903 -25.540 -19.365 1.00 0.00 C ATOM 844 CD GLU A 59 -1.304 -24.648 -20.535 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.690 -24.768 -21.583 1.00 0.00 O ATOM 846 OE2 GLU A 59 -2.218 -23.858 -20.367 1.00 0.00 O ATOM 0 H GLU A 59 -3.002 -27.272 -17.097 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.226 -26.257 -16.926 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.665 -24.984 -18.243 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.233 -24.070 -17.814 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.179 -25.520 -19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.180 -26.573 -19.573 1.00 0.00 H new ATOM 853 N TRP A 60 -0.800 -24.744 -14.980 1.00 0.00 N ATOM 854 CA TRP A 60 -1.089 -24.111 -13.701 1.00 0.00 C ATOM 855 C TRP A 60 -0.529 -22.695 -13.672 1.00 0.00 C ATOM 856 O TRP A 60 0.484 -22.403 -14.309 1.00 0.00 O ATOM 857 CB TRP A 60 -0.486 -24.924 -12.553 1.00 0.00 C ATOM 858 CG TRP A 60 -1.076 -26.298 -12.546 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.513 -27.389 -13.113 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.326 -26.747 -11.946 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.339 -28.478 -12.905 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.469 -28.134 -12.190 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.339 -26.094 -11.223 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.579 -28.846 -11.733 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.456 -26.807 -10.761 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.576 -28.181 -11.015 1.00 0.00 C ATOM 0 H TRP A 60 0.150 -24.596 -15.321 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.171 -24.070 -13.578 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.597 -24.983 -12.665 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.681 -24.429 -11.602 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.428 -27.407 -13.642 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.138 -29.421 -13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.257 -25.036 -11.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.667 -29.904 -11.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.228 -26.294 -10.206 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.438 -28.724 -10.656 1.00 0.00 H new ATOM 877 N LEU A 61 -1.186 -21.826 -12.920 1.00 0.00 N ATOM 878 CA LEU A 61 -0.746 -20.442 -12.799 1.00 0.00 C ATOM 879 C LEU A 61 -0.048 -20.247 -11.459 1.00 0.00 C ATOM 880 O LEU A 61 -0.469 -20.806 -10.447 1.00 0.00 O ATOM 881 CB LEU A 61 -1.947 -19.499 -12.908 1.00 0.00 C ATOM 882 CG LEU A 61 -1.463 -18.052 -12.858 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.536 -17.793 -14.047 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.667 -17.109 -12.933 1.00 0.00 C ATOM 0 H LEU A 61 -2.024 -22.052 -12.385 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.048 -20.214 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.484 -19.682 -13.839 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.647 -19.688 -12.094 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.924 -17.876 -11.927 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.186 -16.761 -14.018 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.319 -18.467 -13.996 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.079 -17.966 -14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.322 -16.075 -12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.206 -17.280 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.331 -17.299 -12.090 1.00 0.00 H new ATOM 896 N ASN A 62 1.020 -19.456 -11.449 1.00 0.00 N ATOM 897 CA ASN A 62 1.758 -19.210 -10.216 1.00 0.00 C ATOM 898 C ASN A 62 1.457 -17.819 -9.667 1.00 0.00 C ATOM 899 O ASN A 62 1.476 -16.833 -10.402 1.00 0.00 O ATOM 900 CB ASN A 62 3.260 -19.345 -10.473 1.00 0.00 C ATOM 901 CG ASN A 62 3.735 -20.739 -10.081 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.025 -21.566 -10.946 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.834 -21.050 -8.817 1.00 0.00 N ATOM 0 H ASN A 62 1.390 -18.979 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 62 1.444 -19.949 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.475 -19.162 -11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.804 -18.593 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.152 -21.980 -8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.593 -20.363 -8.102 1.00 0.00 H new ATOM 910 N VAL A 63 1.177 -17.751 -8.368 1.00 0.00 N ATOM 911 CA VAL A 63 0.874 -16.477 -7.727 1.00 0.00 C ATOM 912 C VAL A 63 1.868 -16.194 -6.606 1.00 0.00 C ATOM 913 O VAL A 63 2.063 -17.020 -5.716 1.00 0.00 O ATOM 914 CB VAL A 63 -0.544 -16.505 -7.158 1.00 0.00 C ATOM 915 CG1 VAL A 63 -0.846 -15.174 -6.467 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.542 -16.728 -8.297 1.00 0.00 C ATOM 0 H VAL A 63 1.154 -18.557 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 63 0.950 -15.687 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.630 -17.315 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.858 -15.196 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.134 -15.015 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.762 -14.362 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.555 -16.749 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.455 -15.917 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.327 -17.677 -8.788 1.00 0.00 H new ATOM 926 N SER A 64 2.493 -15.020 -6.654 1.00 0.00 N ATOM 927 CA SER A 64 3.465 -14.638 -5.637 1.00 0.00 C ATOM 928 C SER A 64 3.266 -13.177 -5.242 1.00 0.00 C ATOM 929 O SER A 64 2.528 -12.444 -5.901 1.00 0.00 O ATOM 930 CB SER A 64 4.884 -14.839 -6.168 1.00 0.00 C ATOM 931 OG SER A 64 5.074 -16.210 -6.491 1.00 0.00 O ATOM 0 H SER A 64 2.344 -14.322 -7.382 1.00 0.00 H new ATOM 0 HA SER A 64 3.318 -15.267 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.046 -14.220 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.612 -14.525 -5.420 1.00 0.00 H new ATOM 0 HG SER A 64 5.983 -16.343 -6.833 1.00 0.00 H new ATOM 937 N HIS A 65 3.927 -12.758 -4.169 1.00 0.00 N ATOM 938 CA HIS A 65 3.811 -11.380 -3.706 1.00 0.00 C ATOM 939 C HIS A 65 5.156 -10.882 -3.188 1.00 0.00 C ATOM 940 O HIS A 65 6.029 -11.681 -2.849 1.00 0.00 O ATOM 941 CB HIS A 65 2.770 -11.290 -2.588 1.00 0.00 C ATOM 942 CG HIS A 65 3.277 -12.016 -1.371 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.839 -11.566 -0.203 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 3.233 -13.398 -1.262 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 4.141 -12.648 0.619 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 3.756 -13.727 -0.067 1.00 0.00 N flip ATOM 0 H HIS A 65 4.543 -13.346 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 65 3.498 -10.757 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.571 -10.246 -2.345 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.827 -11.726 -2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.849 -14.085 -2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.590 -12.621 1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.847 -14.684 0.274 1.00 0.00 H new ATOM 954 N GLU A 66 5.327 -9.563 -3.129 1.00 0.00 N ATOM 955 CA GLU A 66 6.579 -8.986 -2.653 1.00 0.00 C ATOM 956 C GLU A 66 6.379 -8.320 -1.296 1.00 0.00 C ATOM 957 O GLU A 66 5.453 -7.532 -1.112 1.00 0.00 O ATOM 958 CB GLU A 66 7.090 -7.953 -3.660 1.00 0.00 C ATOM 959 CG GLU A 66 8.382 -7.325 -3.134 1.00 0.00 C ATOM 960 CD GLU A 66 9.465 -8.391 -3.001 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.418 -8.151 -2.279 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.324 -9.431 -3.624 1.00 0.00 O ATOM 0 H GLU A 66 4.620 -8.880 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 66 7.312 -9.786 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.270 -8.428 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.337 -7.182 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.716 -6.539 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.201 -6.857 -2.167 1.00 0.00 H new