USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 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 57 GLN : amide:sc= -1.06 X(o=-0.86,f=-0.5) USER MOD Set 1.2: A 59 TYR OH : rot 84:sc= 0.205 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.181 (180deg=-1.47!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.041) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 13 ASN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 16 GLN : amide:sc= 0.00866 K(o=0.0087,f=-3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.607 K(o=-0.61,f=-2!) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= -1.46 (180deg=-1.59) USER MOD Single : A 27 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.77) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0537 F(o=-0.94,f=-0.054) USER MOD Single : A 33 TYR OH : rot 120:sc= -2.28! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -4.42! C(o=-5.1!,f=-4.4!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 31:sc= 1.57 USER MOD Single : A 94 GLN : amide:sc= -0.767! X(o=-0.77!,f=-0.69) USER MOD Single : A 100 ASN : amide:sc= -0.0693 K(o=-0.069,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.984 -15.422 2.411 1.00 0.00 N ATOM 2 CA MET A 1 -6.938 -14.019 2.915 1.00 0.00 C ATOM 3 C MET A 1 -5.530 -13.441 2.750 1.00 0.00 C ATOM 4 O MET A 1 -4.542 -14.130 2.907 1.00 0.00 O ATOM 5 CB MET A 1 -7.306 -14.118 4.396 1.00 0.00 C ATOM 6 CG MET A 1 -6.211 -14.879 5.144 1.00 0.00 C ATOM 7 SD MET A 1 -6.774 -15.255 6.822 1.00 0.00 S ATOM 8 CE MET A 1 -5.623 -14.166 7.695 1.00 0.00 C ATOM 0 H1 MET A 1 -7.541 -16.008 3.066 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.426 -15.438 1.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.017 -15.799 2.346 1.00 0.00 H new ATOM 0 HA MET A 1 -7.615 -13.363 2.369 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.425 -13.121 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.262 -14.629 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.968 -15.801 4.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.299 -14.283 5.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.796 -14.240 8.769 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.599 -14.464 7.471 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.780 -13.137 7.372 1.00 0.00 H new ATOM 20 N ARG A 2 -5.431 -12.178 2.437 1.00 0.00 N ATOM 21 CA ARG A 2 -4.089 -11.553 2.263 1.00 0.00 C ATOM 22 C ARG A 2 -4.141 -10.074 2.654 1.00 0.00 C ATOM 23 O ARG A 2 -5.119 -9.602 3.199 1.00 0.00 O ATOM 24 CB ARG A 2 -3.772 -11.703 0.775 1.00 0.00 C ATOM 25 CG ARG A 2 -2.441 -12.438 0.609 1.00 0.00 C ATOM 26 CD ARG A 2 -2.675 -13.948 0.686 1.00 0.00 C ATOM 27 NE ARG A 2 -1.804 -14.417 1.799 1.00 0.00 N ATOM 28 CZ ARG A 2 -0.908 -15.340 1.582 1.00 0.00 C ATOM 29 NH1 ARG A 2 -1.282 -16.568 1.348 1.00 0.00 N ATOM 30 NH2 ARG A 2 0.361 -15.036 1.597 1.00 0.00 N ATOM 0 H ARG A 2 -6.223 -11.551 2.294 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.331 -12.021 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.569 -12.255 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.719 -10.722 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.988 -12.178 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.743 -12.128 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.723 -14.175 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.413 -14.436 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.908 -14.016 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.274 -16.805 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.582 -17.291 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.653 -14.076 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.061 -15.759 1.427 1.00 0.00 H new ATOM 44 N ARG A 3 -3.097 -9.340 2.384 1.00 0.00 N ATOM 45 CA ARG A 3 -3.093 -7.892 2.745 1.00 0.00 C ATOM 46 C ARG A 3 -2.844 -7.032 1.503 1.00 0.00 C ATOM 47 O ARG A 3 -2.132 -7.422 0.598 1.00 0.00 O ATOM 48 CB ARG A 3 -1.944 -7.738 3.746 1.00 0.00 C ATOM 49 CG ARG A 3 -0.605 -7.770 3.002 1.00 0.00 C ATOM 50 CD ARG A 3 0.461 -8.408 3.893 1.00 0.00 C ATOM 51 NE ARG A 3 1.739 -7.765 3.482 1.00 0.00 N ATOM 52 CZ ARG A 3 2.756 -8.502 3.130 1.00 0.00 C ATOM 53 NH1 ARG A 3 3.586 -8.944 4.035 1.00 0.00 N ATOM 54 NH2 ARG A 3 2.943 -8.797 1.873 1.00 0.00 N ATOM 0 H ARG A 3 -2.248 -9.678 1.930 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.046 -7.569 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.046 -6.799 4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.981 -8.540 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.705 -8.336 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.306 -6.759 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.251 -8.231 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.499 -9.488 3.752 1.00 0.00 H new ATOM 0 HE ARG A 3 1.819 -6.748 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.439 -8.713 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.381 -9.520 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.294 -8.451 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.738 -9.373 1.597 1.00 0.00 H new ATOM 68 N TYR A 4 -3.426 -5.864 1.451 1.00 0.00 N ATOM 69 CA TYR A 4 -3.223 -4.986 0.274 1.00 0.00 C ATOM 70 C TYR A 4 -3.034 -3.544 0.732 1.00 0.00 C ATOM 71 O TYR A 4 -3.322 -3.195 1.860 1.00 0.00 O ATOM 72 CB TYR A 4 -4.505 -5.106 -0.537 1.00 0.00 C ATOM 73 CG TYR A 4 -4.652 -6.511 -1.066 1.00 0.00 C ATOM 74 CD1 TYR A 4 -3.538 -7.188 -1.577 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.903 -7.137 -1.047 1.00 0.00 C ATOM 76 CE1 TYR A 4 -3.677 -8.491 -2.070 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.043 -8.439 -1.540 1.00 0.00 C ATOM 78 CZ TYR A 4 -4.929 -9.117 -2.051 1.00 0.00 C ATOM 79 OH TYR A 4 -5.068 -10.401 -2.536 1.00 0.00 O ATOM 0 H TYR A 4 -4.034 -5.484 2.177 1.00 0.00 H new ATOM 0 HA TYR A 4 -2.343 -5.269 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.363 -4.851 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.489 -4.397 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.572 -6.705 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.762 -6.615 -0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.818 -9.013 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.009 -8.921 -1.527 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.002 -10.685 -2.447 1.00 0.00 H new ATOM 89 N GLU A 5 -2.570 -2.701 -0.138 1.00 0.00 N ATOM 90 CA GLU A 5 -2.382 -1.277 0.244 1.00 0.00 C ATOM 91 C GLU A 5 -3.412 -0.423 -0.496 1.00 0.00 C ATOM 92 O GLU A 5 -3.635 -0.588 -1.679 1.00 0.00 O ATOM 93 CB GLU A 5 -0.956 -0.929 -0.191 1.00 0.00 C ATOM 94 CG GLU A 5 -0.915 -0.687 -1.702 1.00 0.00 C ATOM 95 CD GLU A 5 0.529 -0.779 -2.195 1.00 0.00 C ATOM 96 OE1 GLU A 5 1.345 -1.336 -1.479 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.797 -0.290 -3.280 1.00 0.00 O ATOM 0 H GLU A 5 -2.312 -2.933 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.519 -1.098 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.612 -0.040 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.278 -1.740 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.533 -1.423 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.328 0.294 -1.935 1.00 0.00 H new ATOM 104 N VAL A 6 -4.050 0.480 0.190 1.00 0.00 N ATOM 105 CA VAL A 6 -5.074 1.328 -0.485 1.00 0.00 C ATOM 106 C VAL A 6 -4.500 2.707 -0.817 1.00 0.00 C ATOM 107 O VAL A 6 -4.109 3.457 0.055 1.00 0.00 O ATOM 108 CB VAL A 6 -6.216 1.448 0.523 1.00 0.00 C ATOM 109 CG1 VAL A 6 -5.722 2.177 1.772 1.00 0.00 C ATOM 110 CG2 VAL A 6 -7.367 2.235 -0.109 1.00 0.00 C ATOM 0 H VAL A 6 -3.910 0.669 1.183 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.405 0.895 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.564 0.453 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.538 2.262 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.901 1.617 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.374 3.173 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.184 2.323 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.019 3.230 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.719 1.713 -0.999 1.00 0.00 H new ATOM 120 N ASN A 7 -4.455 3.047 -2.078 1.00 0.00 N ATOM 121 CA ASN A 7 -3.914 4.379 -2.473 1.00 0.00 C ATOM 122 C ASN A 7 -5.047 5.408 -2.520 1.00 0.00 C ATOM 123 O ASN A 7 -5.760 5.515 -3.497 1.00 0.00 O ATOM 124 CB ASN A 7 -3.325 4.168 -3.868 1.00 0.00 C ATOM 125 CG ASN A 7 -1.921 4.771 -3.927 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.607 5.522 -4.830 1.00 0.00 O ATOM 127 ND2 ASN A 7 -1.057 4.474 -2.996 1.00 0.00 N ATOM 0 H ASN A 7 -4.769 2.460 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.170 4.752 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.285 3.104 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.964 4.634 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.118 4.872 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.320 3.844 -2.238 1.00 0.00 H new ATOM 134 N ILE A 8 -5.221 6.161 -1.469 1.00 0.00 N ATOM 135 CA ILE A 8 -6.311 7.179 -1.452 1.00 0.00 C ATOM 136 C ILE A 8 -5.765 8.549 -1.860 1.00 0.00 C ATOM 137 O ILE A 8 -4.797 9.032 -1.308 1.00 0.00 O ATOM 138 CB ILE A 8 -6.801 7.205 -0.002 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.694 5.990 0.254 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.603 8.484 0.250 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.170 5.223 1.467 1.00 0.00 C ATOM 0 H ILE A 8 -4.656 6.116 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.112 6.939 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.942 7.179 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.721 6.310 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.706 5.342 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.950 8.498 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.970 9.352 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.461 8.513 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.805 4.356 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.150 4.891 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.181 5.874 2.341 1.00 0.00 H new ATOM 153 N VAL A 9 -6.383 9.182 -2.819 1.00 0.00 N ATOM 154 CA VAL A 9 -5.902 10.523 -3.254 1.00 0.00 C ATOM 155 C VAL A 9 -6.897 11.602 -2.817 1.00 0.00 C ATOM 156 O VAL A 9 -8.095 11.399 -2.831 1.00 0.00 O ATOM 157 CB VAL A 9 -5.816 10.436 -4.782 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.894 11.838 -5.393 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.488 9.790 -5.174 1.00 0.00 C ATOM 0 H VAL A 9 -7.199 8.829 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.941 10.788 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.647 9.837 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.832 11.766 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.839 12.305 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.067 12.443 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.421 9.725 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.664 10.394 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.430 8.789 -4.747 1.00 0.00 H new ATOM 169 N LEU A 10 -6.410 12.747 -2.428 1.00 0.00 N ATOM 170 CA LEU A 10 -7.326 13.839 -1.989 1.00 0.00 C ATOM 171 C LEU A 10 -7.025 15.123 -2.763 1.00 0.00 C ATOM 172 O LEU A 10 -5.972 15.280 -3.347 1.00 0.00 O ATOM 173 CB LEU A 10 -7.054 14.040 -0.495 1.00 0.00 C ATOM 174 CG LEU A 10 -5.566 13.830 -0.194 1.00 0.00 C ATOM 175 CD1 LEU A 10 -4.745 14.905 -0.907 1.00 0.00 C ATOM 176 CD2 LEU A 10 -5.332 13.929 1.314 1.00 0.00 C ATOM 0 H LEU A 10 -5.416 12.975 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.370 13.587 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.355 15.044 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.653 13.340 0.088 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.260 12.845 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.687 14.756 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.911 14.836 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.051 15.890 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.274 13.780 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.638 14.914 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.917 13.164 1.824 1.00 0.00 H new ATOM 188 N ASN A 11 -7.948 16.044 -2.769 1.00 0.00 N ATOM 189 CA ASN A 11 -7.721 17.322 -3.506 1.00 0.00 C ATOM 190 C ASN A 11 -7.202 18.401 -2.549 1.00 0.00 C ATOM 191 O ASN A 11 -7.809 18.669 -1.531 1.00 0.00 O ATOM 192 CB ASN A 11 -9.095 17.713 -4.054 1.00 0.00 C ATOM 193 CG ASN A 11 -9.509 16.736 -5.155 1.00 0.00 C ATOM 194 OD1 ASN A 11 -10.328 15.866 -4.935 1.00 0.00 O ATOM 195 ND2 ASN A 11 -8.977 16.843 -6.342 1.00 0.00 N ATOM 0 H ASN A 11 -8.849 15.969 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.980 17.214 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.833 17.705 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.064 18.729 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.249 16.197 -7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.289 17.573 -6.529 1.00 0.00 H new ATOM 202 N PRO A 12 -6.093 18.991 -2.912 1.00 0.00 N ATOM 203 CA PRO A 12 -5.489 20.055 -2.080 1.00 0.00 C ATOM 204 C PRO A 12 -6.196 21.391 -2.321 1.00 0.00 C ATOM 205 O PRO A 12 -5.569 22.413 -2.522 1.00 0.00 O ATOM 206 CB PRO A 12 -4.045 20.110 -2.566 1.00 0.00 C ATOM 207 CG PRO A 12 -4.076 19.582 -3.969 1.00 0.00 C ATOM 208 CD PRO A 12 -5.308 18.720 -4.116 1.00 0.00 C ATOM 0 HA PRO A 12 -5.568 19.860 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.660 21.129 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.394 19.506 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.098 20.404 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.177 19.001 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.865 18.974 -5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.047 17.664 -4.190 1.00 0.00 H new ATOM 216 N ASN A 13 -7.496 21.385 -2.299 1.00 0.00 N ATOM 217 CA ASN A 13 -8.257 22.651 -2.521 1.00 0.00 C ATOM 218 C ASN A 13 -8.344 23.451 -1.217 1.00 0.00 C ATOM 219 O ASN A 13 -8.203 24.657 -1.207 1.00 0.00 O ATOM 220 CB ASN A 13 -9.650 22.203 -2.968 1.00 0.00 C ATOM 221 CG ASN A 13 -10.521 23.430 -3.245 1.00 0.00 C ATOM 222 OD1 ASN A 13 -11.668 23.479 -2.847 1.00 0.00 O ATOM 223 ND2 ASN A 13 -10.022 24.433 -3.918 1.00 0.00 N ATOM 0 H ASN A 13 -8.070 20.558 -2.137 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.780 23.296 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.575 21.588 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.109 21.586 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.595 25.255 -4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.059 24.394 -4.253 1.00 0.00 H new ATOM 230 N LEU A 14 -8.579 22.787 -0.117 1.00 0.00 N ATOM 231 CA LEU A 14 -8.679 23.509 1.186 1.00 0.00 C ATOM 232 C LEU A 14 -7.296 23.971 1.647 1.00 0.00 C ATOM 233 O LEU A 14 -6.282 23.561 1.117 1.00 0.00 O ATOM 234 CB LEU A 14 -9.255 22.479 2.159 1.00 0.00 C ATOM 235 CG LEU A 14 -10.676 22.883 2.572 1.00 0.00 C ATOM 236 CD1 LEU A 14 -11.452 23.386 1.351 1.00 0.00 C ATOM 237 CD2 LEU A 14 -11.397 21.668 3.158 1.00 0.00 C ATOM 0 H LEU A 14 -8.706 21.776 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.300 24.402 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.270 21.494 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.619 22.404 3.041 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.620 23.677 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.460 23.671 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.942 24.251 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.507 22.595 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.407 21.952 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.446 20.878 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.852 21.308 4.031 1.00 0.00 H new ATOM 249 N ASP A 15 -7.247 24.826 2.632 1.00 0.00 N ATOM 250 CA ASP A 15 -5.930 25.319 3.128 1.00 0.00 C ATOM 251 C ASP A 15 -5.274 24.267 4.028 1.00 0.00 C ATOM 252 O ASP A 15 -5.804 23.193 4.235 1.00 0.00 O ATOM 253 CB ASP A 15 -6.253 26.586 3.922 1.00 0.00 C ATOM 254 CG ASP A 15 -7.261 26.258 5.024 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.030 25.302 5.745 1.00 0.00 O ATOM 256 OD2 ASP A 15 -8.248 26.968 5.129 1.00 0.00 O ATOM 0 H ASP A 15 -8.062 25.205 3.115 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.231 25.517 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.342 26.996 4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.660 27.349 3.259 1.00 0.00 H new ATOM 261 N GLN A 16 -4.116 24.562 4.552 1.00 0.00 N ATOM 262 CA GLN A 16 -3.415 23.567 5.426 1.00 0.00 C ATOM 263 C GLN A 16 -4.281 23.181 6.629 1.00 0.00 C ATOM 264 O GLN A 16 -4.496 22.019 6.906 1.00 0.00 O ATOM 265 CB GLN A 16 -2.140 24.258 5.928 1.00 0.00 C ATOM 266 CG GLN A 16 -2.353 25.767 6.111 1.00 0.00 C ATOM 267 CD GLN A 16 -1.639 26.522 4.990 1.00 0.00 C ATOM 268 OE1 GLN A 16 -1.856 26.253 3.825 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.789 27.465 5.294 1.00 0.00 N ATOM 0 H GLN A 16 -3.623 25.444 4.416 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.201 22.656 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.834 23.815 6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.329 24.087 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.418 25.999 6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.968 26.084 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.606 27.691 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.307 27.976 4.554 1.00 0.00 H new ATOM 278 N SER A 17 -4.770 24.148 7.348 1.00 0.00 N ATOM 279 CA SER A 17 -5.610 23.844 8.537 1.00 0.00 C ATOM 280 C SER A 17 -6.802 22.973 8.138 1.00 0.00 C ATOM 281 O SER A 17 -7.103 21.984 8.776 1.00 0.00 O ATOM 282 CB SER A 17 -6.084 25.203 9.047 1.00 0.00 C ATOM 283 OG SER A 17 -6.887 25.013 10.203 1.00 0.00 O ATOM 0 H SER A 17 -4.624 25.140 7.163 1.00 0.00 H new ATOM 0 HA SER A 17 -5.059 23.293 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.228 25.835 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.655 25.716 8.273 1.00 0.00 H new ATOM 0 HG SER A 17 -7.193 25.883 10.535 1.00 0.00 H new ATOM 289 N GLN A 18 -7.479 23.328 7.082 1.00 0.00 N ATOM 290 CA GLN A 18 -8.648 22.517 6.637 1.00 0.00 C ATOM 291 C GLN A 18 -8.167 21.164 6.111 1.00 0.00 C ATOM 292 O GLN A 18 -8.778 20.140 6.346 1.00 0.00 O ATOM 293 CB GLN A 18 -9.292 23.333 5.517 1.00 0.00 C ATOM 294 CG GLN A 18 -10.020 24.538 6.117 1.00 0.00 C ATOM 295 CD GLN A 18 -11.527 24.373 5.916 1.00 0.00 C ATOM 296 OE1 GLN A 18 -12.044 24.648 4.851 1.00 0.00 O ATOM 297 NE2 GLN A 18 -12.261 23.931 6.902 1.00 0.00 N ATOM 0 H GLN A 18 -7.274 24.145 6.507 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.351 22.316 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.530 23.668 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.993 22.713 4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.791 24.623 7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.677 25.457 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.828 23.700 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.267 23.817 6.778 1.00 0.00 H new ATOM 306 N LEU A 19 -7.069 21.155 5.408 1.00 0.00 N ATOM 307 CA LEU A 19 -6.537 19.872 4.872 1.00 0.00 C ATOM 308 C LEU A 19 -6.153 18.950 6.030 1.00 0.00 C ATOM 309 O LEU A 19 -6.299 17.747 5.956 1.00 0.00 O ATOM 310 CB LEU A 19 -5.301 20.268 4.063 1.00 0.00 C ATOM 311 CG LEU A 19 -4.605 19.012 3.538 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.157 18.660 2.156 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.099 19.274 3.432 1.00 0.00 C ATOM 0 H LEU A 19 -6.517 21.982 5.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.264 19.336 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.589 20.910 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.615 20.842 4.686 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.786 18.183 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.660 17.765 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.229 18.477 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.976 19.488 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.600 18.380 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.921 20.103 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.703 19.526 4.416 1.00 0.00 H new ATOM 325 N ALA A 20 -5.656 19.507 7.100 1.00 0.00 N ATOM 326 CA ALA A 20 -5.260 18.668 8.258 1.00 0.00 C ATOM 327 C ALA A 20 -6.488 17.992 8.877 1.00 0.00 C ATOM 328 O ALA A 20 -6.450 16.836 9.250 1.00 0.00 O ATOM 329 CB ALA A 20 -4.630 19.641 9.254 1.00 0.00 C ATOM 0 H ALA A 20 -5.508 20.509 7.219 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.574 17.872 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.310 19.096 10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.768 20.125 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.362 20.397 9.537 1.00 0.00 H new ATOM 335 N LEU A 21 -7.573 18.709 9.001 1.00 0.00 N ATOM 336 CA LEU A 21 -8.795 18.118 9.609 1.00 0.00 C ATOM 337 C LEU A 21 -9.325 16.957 8.758 1.00 0.00 C ATOM 338 O LEU A 21 -9.873 16.003 9.272 1.00 0.00 O ATOM 339 CB LEU A 21 -9.801 19.279 9.682 1.00 0.00 C ATOM 340 CG LEU A 21 -10.665 19.342 8.416 1.00 0.00 C ATOM 341 CD1 LEU A 21 -11.905 18.463 8.596 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.102 20.789 8.176 1.00 0.00 C ATOM 0 H LEU A 21 -7.663 19.681 8.706 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.604 17.693 10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.440 19.156 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.266 20.220 9.808 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.088 18.984 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.518 18.509 7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.598 17.432 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.484 18.821 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.716 20.839 7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.680 21.141 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.221 21.419 8.049 1.00 0.00 H new ATOM 354 N GLU A 22 -9.170 17.029 7.465 1.00 0.00 N ATOM 355 CA GLU A 22 -9.676 15.923 6.598 1.00 0.00 C ATOM 356 C GLU A 22 -8.838 14.658 6.809 1.00 0.00 C ATOM 357 O GLU A 22 -9.281 13.558 6.542 1.00 0.00 O ATOM 358 CB GLU A 22 -9.544 16.437 5.161 1.00 0.00 C ATOM 359 CG GLU A 22 -8.081 16.381 4.716 1.00 0.00 C ATOM 360 CD GLU A 22 -7.931 15.381 3.569 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.648 14.395 3.571 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.100 15.619 2.707 1.00 0.00 O ATOM 0 H GLU A 22 -8.718 17.799 6.972 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.707 15.657 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.159 15.834 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.913 17.461 5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.750 17.369 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.447 16.088 5.553 1.00 0.00 H new ATOM 369 N LYS A 23 -7.633 14.801 7.291 1.00 0.00 N ATOM 370 CA LYS A 23 -6.777 13.604 7.525 1.00 0.00 C ATOM 371 C LYS A 23 -7.346 12.775 8.680 1.00 0.00 C ATOM 372 O LYS A 23 -7.306 11.560 8.668 1.00 0.00 O ATOM 373 CB LYS A 23 -5.401 14.163 7.888 1.00 0.00 C ATOM 374 CG LYS A 23 -4.379 13.732 6.830 1.00 0.00 C ATOM 375 CD LYS A 23 -4.582 14.558 5.557 1.00 0.00 C ATOM 376 CE LYS A 23 -4.375 13.667 4.330 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.585 12.800 4.274 1.00 0.00 N ATOM 0 H LYS A 23 -7.205 15.695 7.533 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.729 12.950 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.443 15.251 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.098 13.802 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.367 13.871 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.493 12.671 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.585 14.985 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.880 15.392 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.274 14.262 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.467 13.072 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.548 12.208 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.615 12.191 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.437 13.395 4.246 1.00 0.00 H new ATOM 391 N GLU A 24 -7.876 13.427 9.680 1.00 0.00 N ATOM 392 CA GLU A 24 -8.451 12.687 10.841 1.00 0.00 C ATOM 393 C GLU A 24 -9.742 11.971 10.433 1.00 0.00 C ATOM 394 O GLU A 24 -9.994 10.852 10.831 1.00 0.00 O ATOM 395 CB GLU A 24 -8.743 13.763 11.888 1.00 0.00 C ATOM 396 CG GLU A 24 -7.991 13.441 13.182 1.00 0.00 C ATOM 397 CD GLU A 24 -7.702 14.738 13.939 1.00 0.00 C ATOM 398 OE1 GLU A 24 -8.650 15.376 14.366 1.00 0.00 O ATOM 399 OE2 GLU A 24 -6.537 15.072 14.080 1.00 0.00 O ATOM 0 H GLU A 24 -7.936 14.443 9.743 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.773 11.921 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.440 14.741 11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.814 13.814 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.584 12.769 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.059 12.924 12.955 1.00 0.00 H new ATOM 406 N ILE A 25 -10.566 12.610 9.646 1.00 0.00 N ATOM 407 CA ILE A 25 -11.839 11.965 9.219 1.00 0.00 C ATOM 408 C ILE A 25 -11.550 10.767 8.309 1.00 0.00 C ATOM 409 O ILE A 25 -12.145 9.716 8.447 1.00 0.00 O ATOM 410 CB ILE A 25 -12.591 13.057 8.458 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.191 14.049 9.459 1.00 0.00 C ATOM 412 CG2 ILE A 25 -13.712 12.428 7.632 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.239 13.338 10.317 1.00 0.00 C ATOM 0 H ILE A 25 -10.412 13.550 9.281 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.416 11.583 10.061 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.902 13.578 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.406 14.462 10.093 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.646 14.886 8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.247 13.208 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.287 11.719 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.403 11.907 8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.666 14.044 11.029 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.029 12.947 9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.770 12.516 10.858 1.00 0.00 H new ATOM 425 N ILE A 26 -10.640 10.910 7.385 1.00 0.00 N ATOM 426 CA ILE A 26 -10.318 9.773 6.477 1.00 0.00 C ATOM 427 C ILE A 26 -9.849 8.567 7.295 1.00 0.00 C ATOM 428 O ILE A 26 -10.330 7.464 7.125 1.00 0.00 O ATOM 429 CB ILE A 26 -9.193 10.287 5.578 1.00 0.00 C ATOM 430 CG1 ILE A 26 -9.742 11.375 4.652 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.643 9.135 4.734 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.810 10.774 3.736 1.00 0.00 C ATOM 0 H ILE A 26 -10.106 11.763 7.220 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.181 9.448 5.896 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.394 10.698 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.168 12.188 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.935 11.802 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.841 9.503 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.255 8.356 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.441 8.724 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.201 11.548 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.369 9.976 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.621 10.368 4.340 1.00 0.00 H new ATOM 444 N GLN A 27 -8.922 8.770 8.190 1.00 0.00 N ATOM 445 CA GLN A 27 -8.434 7.634 9.022 1.00 0.00 C ATOM 446 C GLN A 27 -9.612 6.978 9.744 1.00 0.00 C ATOM 447 O GLN A 27 -9.696 5.770 9.854 1.00 0.00 O ATOM 448 CB GLN A 27 -7.473 8.264 10.033 1.00 0.00 C ATOM 449 CG GLN A 27 -6.283 8.881 9.295 1.00 0.00 C ATOM 450 CD GLN A 27 -5.521 9.812 10.242 1.00 0.00 C ATOM 451 OE1 GLN A 27 -5.510 9.604 11.439 1.00 0.00 O ATOM 452 NE2 GLN A 27 -4.879 10.838 9.753 1.00 0.00 N ATOM 0 H GLN A 27 -8.482 9.670 8.381 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.947 6.862 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.990 9.028 10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.125 7.509 10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.621 8.096 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.630 9.436 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.888 11.013 8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.369 11.464 10.376 1.00 0.00 H new ATOM 461 N ARG A 28 -10.527 7.770 10.233 1.00 0.00 N ATOM 462 CA ARG A 28 -11.707 7.203 10.945 1.00 0.00 C ATOM 463 C ARG A 28 -12.657 6.531 9.948 1.00 0.00 C ATOM 464 O ARG A 28 -13.344 5.584 10.274 1.00 0.00 O ATOM 465 CB ARG A 28 -12.386 8.406 11.604 1.00 0.00 C ATOM 466 CG ARG A 28 -11.462 8.995 12.672 1.00 0.00 C ATOM 467 CD ARG A 28 -12.065 8.758 14.059 1.00 0.00 C ATOM 468 NE ARG A 28 -11.393 9.747 14.947 1.00 0.00 N ATOM 469 CZ ARG A 28 -10.091 9.752 15.051 1.00 0.00 C ATOM 470 NH1 ARG A 28 -9.405 8.697 14.706 1.00 0.00 N ATOM 471 NH2 ARG A 28 -9.477 10.813 15.501 1.00 0.00 N ATOM 0 H ARG A 28 -10.508 8.788 10.170 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.423 6.443 11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.619 9.161 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.331 8.102 12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.476 8.534 12.609 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.326 10.063 12.501 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.145 8.906 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.886 7.738 14.398 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.949 10.420 15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.886 7.869 14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.388 8.701 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.014 11.637 15.771 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.460 10.818 15.583 1.00 0.00 H new ATOM 485 N ALA A 29 -12.705 7.017 8.737 1.00 0.00 N ATOM 486 CA ALA A 29 -13.612 6.413 7.728 1.00 0.00 C ATOM 487 C ALA A 29 -13.228 4.959 7.481 1.00 0.00 C ATOM 488 O ALA A 29 -14.073 4.086 7.438 1.00 0.00 O ATOM 489 CB ALA A 29 -13.422 7.250 6.463 1.00 0.00 C ATOM 0 H ALA A 29 -12.153 7.808 8.405 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.652 6.413 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.062 6.862 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.688 8.287 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.380 7.199 6.146 1.00 0.00 H new ATOM 495 N LEU A 30 -11.963 4.679 7.341 1.00 0.00 N ATOM 496 CA LEU A 30 -11.565 3.261 7.127 1.00 0.00 C ATOM 497 C LEU A 30 -12.157 2.469 8.275 1.00 0.00 C ATOM 498 O LEU A 30 -12.683 1.384 8.117 1.00 0.00 O ATOM 499 CB LEU A 30 -10.029 3.232 7.177 1.00 0.00 C ATOM 500 CG LEU A 30 -9.430 4.414 6.399 1.00 0.00 C ATOM 501 CD1 LEU A 30 -8.081 4.001 5.812 1.00 0.00 C ATOM 502 CD2 LEU A 30 -10.367 4.830 5.262 1.00 0.00 C ATOM 0 H LEU A 30 -11.200 5.356 7.365 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.911 2.844 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.695 3.268 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.666 2.294 6.757 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.300 5.256 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.653 4.837 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.405 3.715 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.221 3.155 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.930 5.668 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.508 3.991 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.331 5.128 5.675 1.00 0.00 H new ATOM 514 N GLU A 31 -12.093 3.049 9.431 1.00 0.00 N ATOM 515 CA GLU A 31 -12.665 2.411 10.636 1.00 0.00 C ATOM 516 C GLU A 31 -14.193 2.406 10.535 1.00 0.00 C ATOM 517 O GLU A 31 -14.854 1.496 10.992 1.00 0.00 O ATOM 518 CB GLU A 31 -12.203 3.281 11.805 1.00 0.00 C ATOM 519 CG GLU A 31 -10.815 2.827 12.259 1.00 0.00 C ATOM 520 CD GLU A 31 -10.891 1.385 12.766 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.309 1.197 13.896 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.530 0.494 12.014 1.00 0.00 O ATOM 0 H GLU A 31 -11.659 3.958 9.595 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.345 1.376 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.175 4.328 11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.911 3.205 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.109 2.896 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.446 3.482 13.048 1.00 0.00 H new ATOM 529 N ASN A 32 -14.760 3.427 9.939 1.00 0.00 N ATOM 530 CA ASN A 32 -16.237 3.491 9.808 1.00 0.00 C ATOM 531 C ASN A 32 -16.742 2.267 9.055 1.00 0.00 C ATOM 532 O ASN A 32 -17.775 1.710 9.367 1.00 0.00 O ATOM 533 CB ASN A 32 -16.502 4.758 8.997 1.00 0.00 C ATOM 534 CG ASN A 32 -17.975 5.149 9.123 1.00 0.00 C ATOM 535 OD1 ASN A 32 -18.891 4.358 8.634 1.00 0.00 O flip ATOM 536 ND2 ASN A 32 -18.296 6.185 9.670 1.00 0.00 N flip ATOM 0 H ASN A 32 -14.256 4.218 9.538 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.742 3.509 10.774 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.868 5.570 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.248 4.592 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.580 6.803 10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.281 6.437 9.747 1.00 0.00 H new ATOM 543 N TYR A 33 -16.016 1.851 8.060 1.00 0.00 N ATOM 544 CA TYR A 33 -16.430 0.678 7.273 1.00 0.00 C ATOM 545 C TYR A 33 -15.994 -0.608 7.992 1.00 0.00 C ATOM 546 O TYR A 33 -16.246 -1.705 7.533 1.00 0.00 O ATOM 547 CB TYR A 33 -15.710 0.869 5.933 1.00 0.00 C ATOM 548 CG TYR A 33 -15.296 -0.465 5.371 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.184 -1.115 5.904 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.025 -1.053 4.332 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.793 -2.354 5.403 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.633 -2.296 3.826 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.516 -2.950 4.362 1.00 0.00 C ATOM 554 OH TYR A 33 -14.130 -4.178 3.867 1.00 0.00 O ATOM 0 H TYR A 33 -15.143 2.284 7.760 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.508 0.590 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.366 1.381 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -14.833 1.502 6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.625 -0.657 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.888 -0.549 3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.931 -2.856 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.191 -2.752 3.022 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.859 -4.822 3.985 1.00 0.00 H new ATOM 564 N GLY A 34 -15.342 -0.478 9.115 1.00 0.00 N ATOM 565 CA GLY A 34 -14.892 -1.677 9.862 1.00 0.00 C ATOM 566 C GLY A 34 -13.787 -2.394 9.082 1.00 0.00 C ATOM 567 O GLY A 34 -13.879 -3.572 8.800 1.00 0.00 O ATOM 0 H GLY A 34 -15.102 0.415 9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.524 -1.386 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.732 -2.352 10.023 1.00 0.00 H new ATOM 571 N ALA A 35 -12.738 -1.696 8.741 1.00 0.00 N ATOM 572 CA ALA A 35 -11.624 -2.344 7.989 1.00 0.00 C ATOM 573 C ALA A 35 -10.480 -2.679 8.947 1.00 0.00 C ATOM 574 O ALA A 35 -10.058 -1.855 9.734 1.00 0.00 O ATOM 575 CB ALA A 35 -11.177 -1.303 6.962 1.00 0.00 C ATOM 0 H ALA A 35 -12.604 -0.707 8.950 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.929 -3.275 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.357 -1.707 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.013 -1.056 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.842 -0.403 7.478 1.00 0.00 H new ATOM 581 N ARG A 36 -9.979 -3.883 8.897 1.00 0.00 N ATOM 582 CA ARG A 36 -8.875 -4.264 9.815 1.00 0.00 C ATOM 583 C ARG A 36 -7.555 -3.649 9.373 1.00 0.00 C ATOM 584 O ARG A 36 -7.208 -3.627 8.209 1.00 0.00 O ATOM 585 CB ARG A 36 -8.824 -5.786 9.757 1.00 0.00 C ATOM 586 CG ARG A 36 -7.433 -6.302 10.149 1.00 0.00 C ATOM 587 CD ARG A 36 -7.196 -6.052 11.639 1.00 0.00 C ATOM 588 NE ARG A 36 -7.653 -7.300 12.311 1.00 0.00 N ATOM 589 CZ ARG A 36 -7.335 -7.525 13.555 1.00 0.00 C ATOM 590 NH1 ARG A 36 -7.014 -6.530 14.338 1.00 0.00 N ATOM 591 NH2 ARG A 36 -7.335 -8.745 14.018 1.00 0.00 N ATOM 0 H ARG A 36 -10.288 -4.617 8.260 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.044 -3.902 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.574 -6.205 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.072 -6.124 8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.354 -7.367 9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.667 -5.799 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.144 -5.854 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.757 -5.186 11.989 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.215 -7.979 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.012 -5.576 13.976 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.765 -6.707 15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.584 -9.523 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.086 -8.921 14.991 1.00 0.00 H new ATOM 605 N VAL A 37 -6.820 -3.163 10.320 1.00 0.00 N ATOM 606 CA VAL A 37 -5.497 -2.546 10.017 1.00 0.00 C ATOM 607 C VAL A 37 -4.381 -3.343 10.692 1.00 0.00 C ATOM 608 O VAL A 37 -4.347 -3.478 11.899 1.00 0.00 O ATOM 609 CB VAL A 37 -5.574 -1.131 10.589 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.241 -0.414 10.359 1.00 0.00 C ATOM 611 CG2 VAL A 37 -6.695 -0.360 9.887 1.00 0.00 C ATOM 0 H VAL A 37 -7.077 -3.164 11.307 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.279 -2.536 8.949 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.779 -1.181 11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.296 0.595 10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.442 -0.964 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.035 -0.363 9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.752 0.650 10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.488 -0.310 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.644 -0.870 10.049 1.00 0.00 H new ATOM 621 N GLU A 38 -3.465 -3.871 9.930 1.00 0.00 N ATOM 622 CA GLU A 38 -2.356 -4.653 10.545 1.00 0.00 C ATOM 623 C GLU A 38 -1.082 -3.807 10.597 1.00 0.00 C ATOM 624 O GLU A 38 -0.196 -4.052 11.393 1.00 0.00 O ATOM 625 CB GLU A 38 -2.166 -5.864 9.631 1.00 0.00 C ATOM 626 CG GLU A 38 -2.578 -7.135 10.376 1.00 0.00 C ATOM 627 CD GLU A 38 -3.214 -8.119 9.393 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.984 -7.677 8.556 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.922 -9.299 9.495 1.00 0.00 O ATOM 0 H GLU A 38 -3.435 -3.796 8.913 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.579 -4.953 11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.765 -5.749 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.125 -5.936 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.708 -7.589 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.283 -6.891 11.171 1.00 0.00 H new ATOM 636 N LYS A 39 -0.984 -2.810 9.759 1.00 0.00 N ATOM 637 CA LYS A 39 0.235 -1.951 9.767 1.00 0.00 C ATOM 638 C LYS A 39 -0.016 -0.648 8.999 1.00 0.00 C ATOM 639 O LYS A 39 -0.809 -0.599 8.079 1.00 0.00 O ATOM 640 CB LYS A 39 1.310 -2.783 9.066 1.00 0.00 C ATOM 641 CG LYS A 39 2.182 -3.481 10.111 1.00 0.00 C ATOM 642 CD LYS A 39 1.912 -4.988 10.079 1.00 0.00 C ATOM 643 CE LYS A 39 2.380 -5.622 11.391 1.00 0.00 C ATOM 644 NZ LYS A 39 2.749 -7.020 11.031 1.00 0.00 N ATOM 0 H LYS A 39 -1.693 -2.554 9.072 1.00 0.00 H new ATOM 0 HA LYS A 39 0.527 -1.668 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.844 -3.522 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.925 -2.143 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.235 -3.285 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.967 -3.084 11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.848 -5.174 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.434 -5.443 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.231 -5.084 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.591 -5.603 12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.081 -7.521 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.918 -7.509 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.507 -7.007 10.319 1.00 0.00 H new ATOM 658 N VAL A 40 0.658 0.406 9.372 1.00 0.00 N ATOM 659 CA VAL A 40 0.472 1.709 8.673 1.00 0.00 C ATOM 660 C VAL A 40 1.834 2.294 8.289 1.00 0.00 C ATOM 661 O VAL A 40 2.759 2.298 9.077 1.00 0.00 O ATOM 662 CB VAL A 40 -0.233 2.605 9.692 1.00 0.00 C ATOM 663 CG1 VAL A 40 -1.716 2.236 9.758 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.399 2.417 11.074 1.00 0.00 C ATOM 0 H VAL A 40 1.334 0.420 10.136 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.104 1.612 7.753 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.128 3.646 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.218 2.875 10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.170 2.376 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.818 1.194 10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.107 3.058 11.796 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.300 1.376 11.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.455 2.683 11.030 1.00 0.00 H new ATOM 674 N GLU A 41 1.971 2.784 7.086 1.00 0.00 N ATOM 675 CA GLU A 41 3.280 3.358 6.664 1.00 0.00 C ATOM 676 C GLU A 41 3.179 4.880 6.528 1.00 0.00 C ATOM 677 O GLU A 41 2.445 5.391 5.706 1.00 0.00 O ATOM 678 CB GLU A 41 3.573 2.713 5.309 1.00 0.00 C ATOM 679 CG GLU A 41 5.069 2.408 5.198 1.00 0.00 C ATOM 680 CD GLU A 41 5.641 3.107 3.964 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.282 2.716 2.866 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.428 4.023 4.139 1.00 0.00 O ATOM 0 H GLU A 41 1.235 2.811 6.380 1.00 0.00 H new ATOM 0 HA GLU A 41 4.069 3.162 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.995 1.795 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.267 3.380 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.588 2.747 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.227 1.332 5.126 1.00 0.00 H new ATOM 689 N GLU A 42 3.914 5.606 7.327 1.00 0.00 N ATOM 690 CA GLU A 42 3.861 7.094 7.239 1.00 0.00 C ATOM 691 C GLU A 42 4.931 7.603 6.271 1.00 0.00 C ATOM 692 O GLU A 42 6.115 7.457 6.504 1.00 0.00 O ATOM 693 CB GLU A 42 4.148 7.587 8.659 1.00 0.00 C ATOM 694 CG GLU A 42 3.006 7.171 9.590 1.00 0.00 C ATOM 695 CD GLU A 42 3.319 7.630 11.016 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.414 7.353 11.479 1.00 0.00 O ATOM 697 OE2 GLU A 42 2.461 8.251 11.620 1.00 0.00 O ATOM 0 H GLU A 42 4.547 5.234 8.035 1.00 0.00 H new ATOM 0 HA GLU A 42 2.900 7.451 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.090 7.171 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.257 8.672 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.068 7.612 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.877 6.089 9.565 1.00 0.00 H new ATOM 704 N LEU A 43 4.521 8.203 5.187 1.00 0.00 N ATOM 705 CA LEU A 43 5.516 8.728 4.203 1.00 0.00 C ATOM 706 C LEU A 43 5.872 10.185 4.536 1.00 0.00 C ATOM 707 O LEU A 43 6.618 10.449 5.459 1.00 0.00 O ATOM 708 CB LEU A 43 4.845 8.617 2.824 1.00 0.00 C ATOM 709 CG LEU A 43 3.385 9.070 2.902 1.00 0.00 C ATOM 710 CD1 LEU A 43 3.025 9.866 1.646 1.00 0.00 C ATOM 711 CD2 LEU A 43 2.478 7.843 3.005 1.00 0.00 C ATOM 0 H LEU A 43 3.543 8.353 4.939 1.00 0.00 H new ATOM 0 HA LEU A 43 6.449 8.165 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.384 9.229 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.894 7.587 2.471 1.00 0.00 H new ATOM 0 HG LEU A 43 3.248 9.701 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.985 10.187 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.671 10.741 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.162 9.238 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.438 8.163 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.617 7.213 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.732 7.277 3.901 1.00 0.00 H new ATOM 723 N GLY A 44 5.352 11.132 3.800 1.00 0.00 N ATOM 724 CA GLY A 44 5.673 12.558 4.089 1.00 0.00 C ATOM 725 C GLY A 44 5.199 13.434 2.928 1.00 0.00 C ATOM 726 O GLY A 44 5.443 13.139 1.775 1.00 0.00 O ATOM 0 H GLY A 44 4.721 10.979 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.190 12.870 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.747 12.678 4.234 1.00 0.00 H new ATOM 730 N LEU A 45 4.521 14.509 3.223 1.00 0.00 N ATOM 731 CA LEU A 45 4.029 15.406 2.137 1.00 0.00 C ATOM 732 C LEU A 45 5.138 15.657 1.110 1.00 0.00 C ATOM 733 O LEU A 45 6.283 15.866 1.457 1.00 0.00 O ATOM 734 CB LEU A 45 3.654 16.709 2.843 1.00 0.00 C ATOM 735 CG LEU A 45 2.149 16.734 3.111 1.00 0.00 C ATOM 736 CD1 LEU A 45 1.866 16.147 4.495 1.00 0.00 C ATOM 737 CD2 LEU A 45 1.649 18.179 3.062 1.00 0.00 C ATOM 0 H LEU A 45 4.286 14.806 4.170 1.00 0.00 H new ATOM 0 HA LEU A 45 3.187 14.974 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.202 16.796 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.938 17.562 2.227 1.00 0.00 H new ATOM 0 HG LEU A 45 1.635 16.142 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.793 16.165 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.224 15.118 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.379 16.739 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.576 18.199 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.164 18.768 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.850 18.601 2.077 1.00 0.00 H new ATOM 749 N ARG A 46 4.802 15.647 -0.152 1.00 0.00 N ATOM 750 CA ARG A 46 5.835 15.893 -1.201 1.00 0.00 C ATOM 751 C ARG A 46 5.933 17.392 -1.492 1.00 0.00 C ATOM 752 O ARG A 46 6.938 18.022 -1.231 1.00 0.00 O ATOM 753 CB ARG A 46 5.335 15.137 -2.435 1.00 0.00 C ATOM 754 CG ARG A 46 6.338 14.041 -2.806 1.00 0.00 C ATOM 755 CD ARG A 46 6.267 13.771 -4.310 1.00 0.00 C ATOM 756 NE ARG A 46 7.237 12.666 -4.546 1.00 0.00 N ATOM 757 CZ ARG A 46 7.246 12.036 -5.689 1.00 0.00 C ATOM 758 NH1 ARG A 46 7.218 12.710 -6.806 1.00 0.00 N ATOM 759 NH2 ARG A 46 7.284 10.731 -5.715 1.00 0.00 N ATOM 0 H ARG A 46 3.859 15.479 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 46 6.827 15.559 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.358 14.697 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.208 15.826 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.347 14.347 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.118 13.129 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.260 13.484 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.532 14.659 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 46 7.895 12.401 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.189 13.729 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.225 12.217 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.307 10.204 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.291 10.239 -6.608 1.00 0.00 H new ATOM 773 N ARG A 47 4.890 17.969 -2.025 1.00 0.00 N ATOM 774 CA ARG A 47 4.916 19.429 -2.326 1.00 0.00 C ATOM 775 C ARG A 47 6.191 19.797 -3.090 1.00 0.00 C ATOM 776 O ARG A 47 7.147 20.286 -2.523 1.00 0.00 O ATOM 777 CB ARG A 47 4.894 20.113 -0.958 1.00 0.00 C ATOM 778 CG ARG A 47 3.530 19.891 -0.299 1.00 0.00 C ATOM 779 CD ARG A 47 3.608 20.267 1.183 1.00 0.00 C ATOM 780 NE ARG A 47 3.416 21.743 1.215 1.00 0.00 N ATOM 781 CZ ARG A 47 4.377 22.517 1.642 1.00 0.00 C ATOM 782 NH1 ARG A 47 4.524 22.727 2.921 1.00 0.00 N ATOM 783 NH2 ARG A 47 5.189 23.081 0.789 1.00 0.00 N ATOM 0 H ARG A 47 4.021 17.492 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 47 4.077 19.735 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.685 19.711 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.087 21.180 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.771 20.494 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.229 18.849 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.838 19.756 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.569 19.984 1.612 1.00 0.00 H new ATOM 0 HE ARG A 47 2.534 22.150 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.889 22.287 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.274 23.331 3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.073 22.917 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.940 23.686 1.123 1.00 0.00 H new ATOM 797 N LEU A 48 6.211 19.571 -4.376 1.00 0.00 N ATOM 798 CA LEU A 48 7.424 19.914 -5.174 1.00 0.00 C ATOM 799 C LEU A 48 7.482 21.426 -5.411 1.00 0.00 C ATOM 800 O LEU A 48 6.509 22.040 -5.799 1.00 0.00 O ATOM 801 CB LEU A 48 7.253 19.167 -6.498 1.00 0.00 C ATOM 802 CG LEU A 48 7.317 17.659 -6.250 1.00 0.00 C ATOM 803 CD1 LEU A 48 5.966 17.029 -6.589 1.00 0.00 C ATOM 804 CD2 LEU A 48 8.402 17.041 -7.135 1.00 0.00 C ATOM 0 H LEU A 48 5.441 19.164 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 48 8.348 19.634 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.299 19.430 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.034 19.464 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 48 7.553 17.474 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.011 15.954 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.192 17.468 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.731 17.215 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.447 15.966 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.166 17.227 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.366 17.489 -6.895 1.00 0.00 H new ATOM 816 N ALA A 49 8.613 22.033 -5.176 1.00 0.00 N ATOM 817 CA ALA A 49 8.725 23.507 -5.384 1.00 0.00 C ATOM 818 C ALA A 49 8.787 23.833 -6.879 1.00 0.00 C ATOM 819 O ALA A 49 9.485 23.190 -7.637 1.00 0.00 O ATOM 820 CB ALA A 49 10.030 23.904 -4.693 1.00 0.00 C ATOM 0 H ALA A 49 9.464 21.574 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 49 7.868 24.046 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.187 24.977 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.973 23.650 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.862 23.368 -5.151 1.00 0.00 H new ATOM 826 N TYR A 50 8.059 24.828 -7.308 1.00 0.00 N ATOM 827 CA TYR A 50 8.076 25.195 -8.753 1.00 0.00 C ATOM 828 C TYR A 50 7.756 23.968 -9.608 1.00 0.00 C ATOM 829 O TYR A 50 7.701 22.862 -9.109 1.00 0.00 O ATOM 830 CB TYR A 50 9.501 25.679 -9.022 1.00 0.00 C ATOM 831 CG TYR A 50 9.577 27.169 -8.790 1.00 0.00 C ATOM 832 CD1 TYR A 50 8.576 28.008 -9.290 1.00 0.00 C ATOM 833 CD2 TYR A 50 10.650 27.710 -8.073 1.00 0.00 C ATOM 834 CE1 TYR A 50 8.646 29.390 -9.072 1.00 0.00 C ATOM 835 CE2 TYR A 50 10.722 29.090 -7.855 1.00 0.00 C ATOM 836 CZ TYR A 50 9.720 29.931 -8.355 1.00 0.00 C ATOM 837 OH TYR A 50 9.789 31.291 -8.140 1.00 0.00 O ATOM 0 H TYR A 50 7.454 25.402 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 50 7.335 25.957 -8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.202 25.162 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.789 25.444 -10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.749 27.590 -9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.423 27.062 -7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.872 30.038 -9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 50 11.550 29.507 -7.301 1.00 0.00 H new ATOM 0 HH TYR A 50 10.596 31.500 -7.625 1.00 0.00 H new ATOM 847 N PRO A 51 7.554 24.206 -10.874 1.00 0.00 N ATOM 848 CA PRO A 51 7.235 23.100 -11.813 1.00 0.00 C ATOM 849 C PRO A 51 8.440 22.165 -11.965 1.00 0.00 C ATOM 850 O PRO A 51 9.561 22.604 -12.121 1.00 0.00 O ATOM 851 CB PRO A 51 6.923 23.823 -13.122 1.00 0.00 C ATOM 852 CG PRO A 51 7.640 25.129 -13.012 1.00 0.00 C ATOM 853 CD PRO A 51 7.611 25.504 -11.555 1.00 0.00 C ATOM 0 HA PRO A 51 6.410 22.471 -11.478 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.270 23.252 -13.983 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.850 23.969 -13.248 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.666 25.041 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.154 25.892 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.497 26.071 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.746 26.122 -11.316 1.00 0.00 H new ATOM 861 N ILE A 52 8.217 20.879 -11.923 1.00 0.00 N ATOM 862 CA ILE A 52 9.346 19.918 -12.067 1.00 0.00 C ATOM 863 C ILE A 52 8.901 18.707 -12.891 1.00 0.00 C ATOM 864 O ILE A 52 8.040 17.953 -12.483 1.00 0.00 O ATOM 865 CB ILE A 52 9.674 19.491 -10.640 1.00 0.00 C ATOM 866 CG1 ILE A 52 9.777 20.727 -9.744 1.00 0.00 C ATOM 867 CG2 ILE A 52 11.005 18.738 -10.623 1.00 0.00 C ATOM 868 CD1 ILE A 52 10.350 20.325 -8.384 1.00 0.00 C ATOM 0 H ILE A 52 7.299 20.453 -11.795 1.00 0.00 H new ATOM 0 HA ILE A 52 10.204 20.357 -12.576 1.00 0.00 H new ATOM 0 HB ILE A 52 8.883 18.839 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.415 21.476 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.794 21.180 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.238 18.434 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.931 17.855 -11.257 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.796 19.388 -10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.423 21.205 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.695 19.591 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 52 11.341 19.892 -8.520 1.00 0.00 H new ATOM 880 N ALA A 53 9.482 18.512 -14.043 1.00 0.00 N ATOM 881 CA ALA A 53 9.090 17.343 -14.886 1.00 0.00 C ATOM 882 C ALA A 53 7.567 17.170 -14.880 1.00 0.00 C ATOM 883 O ALA A 53 7.060 16.081 -14.698 1.00 0.00 O ATOM 884 CB ALA A 53 9.769 16.142 -14.228 1.00 0.00 C ATOM 0 H ALA A 53 10.209 19.109 -14.438 1.00 0.00 H new ATOM 0 HA ALA A 53 9.389 17.464 -15.927 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.531 15.238 -14.788 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.849 16.292 -14.223 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.412 16.039 -13.203 1.00 0.00 H new ATOM 890 N LYS A 54 6.841 18.240 -15.074 1.00 0.00 N ATOM 891 CA LYS A 54 5.347 18.157 -15.077 1.00 0.00 C ATOM 892 C LYS A 54 4.863 17.166 -14.019 1.00 0.00 C ATOM 893 O LYS A 54 4.007 16.339 -14.267 1.00 0.00 O ATOM 894 CB LYS A 54 4.967 17.681 -16.482 1.00 0.00 C ATOM 895 CG LYS A 54 5.442 16.240 -16.688 1.00 0.00 C ATOM 896 CD LYS A 54 4.636 15.594 -17.819 1.00 0.00 C ATOM 897 CE LYS A 54 4.863 14.079 -17.811 1.00 0.00 C ATOM 898 NZ LYS A 54 3.634 13.506 -17.188 1.00 0.00 N ATOM 0 H LYS A 54 7.220 19.174 -15.232 1.00 0.00 H new ATOM 0 HA LYS A 54 4.887 19.116 -14.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.887 17.740 -16.616 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.417 18.333 -17.231 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.505 16.227 -16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.319 15.670 -15.767 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.576 15.814 -17.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.938 16.012 -18.779 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.008 13.697 -18.821 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.754 13.817 -17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.716 12.470 -17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.525 13.882 -16.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.803 13.766 -17.757 1.00 0.00 H new ATOM 912 N ASP A 55 5.403 17.249 -12.838 1.00 0.00 N ATOM 913 CA ASP A 55 4.977 16.317 -11.754 1.00 0.00 C ATOM 914 C ASP A 55 4.274 17.093 -10.638 1.00 0.00 C ATOM 915 O ASP A 55 4.898 17.845 -9.915 1.00 0.00 O ATOM 916 CB ASP A 55 6.272 15.686 -11.238 1.00 0.00 C ATOM 917 CG ASP A 55 6.462 14.312 -11.885 1.00 0.00 C ATOM 918 OD1 ASP A 55 5.506 13.809 -12.451 1.00 0.00 O ATOM 919 OD2 ASP A 55 7.560 13.787 -11.804 1.00 0.00 O ATOM 0 H ASP A 55 6.122 17.922 -12.573 1.00 0.00 H new ATOM 0 HA ASP A 55 4.273 15.564 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.121 16.330 -11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.234 15.587 -10.153 1.00 0.00 H new ATOM 924 N PRO A 56 2.990 16.885 -10.538 1.00 0.00 N ATOM 925 CA PRO A 56 2.184 17.576 -9.503 1.00 0.00 C ATOM 926 C PRO A 56 2.444 16.966 -8.124 1.00 0.00 C ATOM 927 O PRO A 56 3.142 15.981 -7.989 1.00 0.00 O ATOM 928 CB PRO A 56 0.745 17.325 -9.942 1.00 0.00 C ATOM 929 CG PRO A 56 0.799 16.071 -10.757 1.00 0.00 C ATOM 930 CD PRO A 56 2.173 15.996 -11.373 1.00 0.00 C ATOM 0 HA PRO A 56 2.421 18.636 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.085 17.208 -9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.360 18.160 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.610 15.198 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.031 16.082 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.558 14.976 -11.365 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.162 16.324 -12.412 1.00 0.00 H new ATOM 938 N GLN A 57 1.882 17.545 -7.099 1.00 0.00 N ATOM 939 CA GLN A 57 2.087 17.003 -5.725 1.00 0.00 C ATOM 940 C GLN A 57 1.019 15.949 -5.416 1.00 0.00 C ATOM 941 O GLN A 57 0.347 15.458 -6.301 1.00 0.00 O ATOM 942 CB GLN A 57 1.934 18.213 -4.802 1.00 0.00 C ATOM 943 CG GLN A 57 0.571 18.866 -5.043 1.00 0.00 C ATOM 944 CD GLN A 57 -0.054 19.252 -3.701 1.00 0.00 C ATOM 945 OE1 GLN A 57 0.379 20.190 -3.062 1.00 0.00 O ATOM 946 NE2 GLN A 57 -1.064 18.564 -3.244 1.00 0.00 N ATOM 0 H GLN A 57 1.288 18.372 -7.153 1.00 0.00 H new ATOM 0 HA GLN A 57 3.056 16.519 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.022 17.904 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.732 18.931 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.685 19.750 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.084 18.178 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.429 17.776 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.489 18.814 -2.351 1.00 0.00 H new ATOM 955 N GLY A 58 0.853 15.598 -4.170 1.00 0.00 N ATOM 956 CA GLY A 58 -0.178 14.578 -3.819 1.00 0.00 C ATOM 957 C GLY A 58 0.289 13.761 -2.614 1.00 0.00 C ATOM 958 O GLY A 58 1.397 13.265 -2.578 1.00 0.00 O ATOM 0 H GLY A 58 1.383 15.971 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.125 15.068 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.355 13.920 -4.669 1.00 0.00 H new ATOM 962 N TYR A 59 -0.553 13.616 -1.625 1.00 0.00 N ATOM 963 CA TYR A 59 -0.164 12.831 -0.419 1.00 0.00 C ATOM 964 C TYR A 59 -0.882 11.477 -0.419 1.00 0.00 C ATOM 965 O TYR A 59 -2.094 11.409 -0.389 1.00 0.00 O ATOM 966 CB TYR A 59 -0.622 13.678 0.771 1.00 0.00 C ATOM 967 CG TYR A 59 -0.295 15.132 0.523 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.996 15.505 0.130 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.287 16.108 0.682 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.296 16.852 -0.102 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.987 17.455 0.448 1.00 0.00 C ATOM 972 CZ TYR A 59 0.304 17.827 0.055 1.00 0.00 C ATOM 973 OH TYR A 59 0.599 19.155 -0.175 1.00 0.00 O ATOM 0 H TYR A 59 -1.494 14.008 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 59 0.906 12.627 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.695 13.558 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.131 13.336 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.761 14.753 0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.283 15.821 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.293 17.139 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.752 18.208 0.571 1.00 0.00 H new ATOM 0 HH TYR A 59 0.522 19.346 -1.133 1.00 0.00 H new ATOM 983 N PHE A 60 -0.146 10.399 -0.455 1.00 0.00 N ATOM 984 CA PHE A 60 -0.791 9.056 -0.462 1.00 0.00 C ATOM 985 C PHE A 60 -0.534 8.328 0.860 1.00 0.00 C ATOM 986 O PHE A 60 0.529 8.432 1.440 1.00 0.00 O ATOM 987 CB PHE A 60 -0.130 8.309 -1.621 1.00 0.00 C ATOM 988 CG PHE A 60 1.348 8.156 -1.345 1.00 0.00 C ATOM 989 CD1 PHE A 60 1.809 7.072 -0.587 1.00 0.00 C ATOM 990 CD2 PHE A 60 2.257 9.095 -1.848 1.00 0.00 C ATOM 991 CE1 PHE A 60 3.179 6.929 -0.332 1.00 0.00 C ATOM 992 CE2 PHE A 60 3.626 8.952 -1.593 1.00 0.00 C ATOM 993 CZ PHE A 60 4.087 7.869 -0.835 1.00 0.00 C ATOM 0 H PHE A 60 0.874 10.391 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.873 9.122 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.591 7.329 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.282 8.854 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.109 6.347 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.902 9.930 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.535 6.094 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.326 9.677 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.143 7.758 -0.638 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.498 7.591 1.340 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.307 6.855 2.625 1.00 0.00 C ATOM 1005 C LEU A 61 -1.257 5.342 2.376 1.00 0.00 C ATOM 1006 O LEU A 61 -1.916 4.827 1.495 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.524 7.217 3.479 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.805 6.789 2.759 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.471 5.650 3.535 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -4.764 7.977 2.680 1.00 0.00 C ATOM 0 H LEU A 61 -2.409 7.466 0.899 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.371 7.125 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.459 6.725 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.542 8.291 3.667 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.560 6.449 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.383 5.345 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.788 4.803 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.717 5.990 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.677 7.674 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.008 8.315 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.291 8.790 2.129 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.479 4.630 3.148 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.385 3.151 2.961 1.00 0.00 C ATOM 1024 C TRP A 62 -0.902 2.440 4.214 1.00 0.00 C ATOM 1025 O TRP A 62 -0.477 2.727 5.316 1.00 0.00 O ATOM 1026 CB TRP A 62 1.108 2.879 2.764 1.00 0.00 C ATOM 1027 CG TRP A 62 1.313 1.467 2.314 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.381 1.064 1.024 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.482 0.267 3.125 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.583 -0.304 0.992 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.651 -0.840 2.261 1.00 0.00 C ATOM 1032 CE3 TRP A 62 1.504 0.036 4.512 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 1.837 -2.131 2.755 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 1.691 -1.263 5.014 1.00 0.00 C ATOM 1035 CH2 TRP A 62 1.857 -2.344 4.136 1.00 0.00 C ATOM 0 H TRP A 62 0.096 5.008 3.901 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.978 2.792 2.120 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.518 3.568 2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.645 3.054 3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.292 1.706 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.671 -0.850 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 62 1.376 0.862 5.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.965 -2.960 2.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.707 -1.430 6.081 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.000 -3.341 4.527 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.816 1.521 4.065 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.347 0.812 5.260 1.00 0.00 C ATOM 1048 C TYR A 63 -2.406 -0.691 5.001 1.00 0.00 C ATOM 1049 O TYR A 63 -2.695 -1.130 3.906 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.755 1.375 5.457 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.716 2.489 6.474 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.080 3.697 6.165 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.320 2.315 7.724 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.046 4.730 7.107 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -4.286 3.347 8.668 1.00 0.00 C ATOM 1056 CZ TYR A 63 -3.649 4.555 8.359 1.00 0.00 C ATOM 1057 OH TYR A 63 -3.617 5.574 9.290 1.00 0.00 O ATOM 0 H TYR A 63 -2.215 1.232 3.172 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.720 0.958 6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.145 1.747 4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.429 0.587 5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.616 3.831 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.813 1.383 7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.555 5.662 6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.750 3.212 9.634 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.082 5.288 10.104 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.149 -1.484 6.001 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.208 -2.957 5.804 1.00 0.00 C ATOM 1069 C GLN A 64 -3.606 -3.449 6.171 1.00 0.00 C ATOM 1070 O GLN A 64 -4.129 -3.136 7.221 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.159 -3.537 6.753 1.00 0.00 C ATOM 1072 CG GLN A 64 0.064 -3.988 5.952 1.00 0.00 C ATOM 1073 CD GLN A 64 0.543 -5.343 6.478 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.629 -5.400 7.201 1.00 0.00 O flip ATOM 1075 NE2 GLN A 64 -0.076 -6.359 6.231 1.00 0.00 N flip ATOM 0 H GLN A 64 -1.902 -1.178 6.942 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.011 -3.256 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.868 -2.789 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.578 -4.380 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.188 -4.064 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.861 -3.250 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.924 -6.315 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.253 -7.256 6.588 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.228 -4.187 5.299 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.604 -4.663 5.577 1.00 0.00 C ATOM 1086 C VAL A 65 -5.711 -6.179 5.403 1.00 0.00 C ATOM 1087 O VAL A 65 -4.785 -6.834 4.972 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.441 -3.945 4.524 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.143 -2.451 4.573 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.070 -4.466 3.136 1.00 0.00 C ATOM 0 H VAL A 65 -3.840 -4.481 4.403 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.923 -4.458 6.599 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.498 -4.125 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.741 -1.936 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.390 -2.063 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.085 -2.284 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.668 -3.953 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.013 -4.280 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.264 -5.537 3.086 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.846 -6.735 5.724 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.033 -8.205 5.560 1.00 0.00 C ATOM 1102 C GLU A 66 -8.425 -8.486 4.991 1.00 0.00 C ATOM 1103 O GLU A 66 -9.313 -8.946 5.681 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.900 -8.799 6.959 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.222 -10.290 6.887 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.140 -10.675 8.048 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.171 -9.939 9.022 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -8.795 -11.699 7.946 1.00 0.00 O ATOM 0 H GLU A 66 -7.654 -6.234 6.094 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.304 -8.637 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.890 -8.648 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.579 -8.298 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.704 -10.523 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.302 -10.873 6.929 1.00 0.00 H new ATOM 1115 N MET A 67 -8.616 -8.205 3.735 1.00 0.00 N ATOM 1116 CA MET A 67 -9.943 -8.442 3.096 1.00 0.00 C ATOM 1117 C MET A 67 -9.751 -9.030 1.697 1.00 0.00 C ATOM 1118 O MET A 67 -8.710 -8.867 1.094 1.00 0.00 O ATOM 1119 CB MET A 67 -10.598 -7.062 3.012 1.00 0.00 C ATOM 1120 CG MET A 67 -11.356 -6.777 4.310 1.00 0.00 C ATOM 1121 SD MET A 67 -13.024 -7.469 4.204 1.00 0.00 S ATOM 1122 CE MET A 67 -13.109 -8.112 5.893 1.00 0.00 C ATOM 0 H MET A 67 -7.904 -7.817 3.116 1.00 0.00 H new ATOM 0 HA MET A 67 -10.554 -9.147 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.839 -6.297 2.846 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.281 -7.023 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.824 -7.212 5.156 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.408 -5.702 4.484 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.075 -8.592 6.052 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.313 -8.841 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.991 -7.292 6.601 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.769 -9.693 1.225 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.714 -10.312 -0.122 1.00 0.00 C ATOM 1134 C PRO A 68 -10.688 -9.225 -1.202 1.00 0.00 C ATOM 1135 O PRO A 68 -11.018 -8.081 -0.953 1.00 0.00 O ATOM 1136 CB PRO A 68 -11.997 -11.136 -0.190 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.922 -10.482 0.785 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.058 -9.925 1.886 1.00 0.00 C ATOM 0 HA PRO A 68 -9.824 -10.919 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.416 -11.133 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.813 -12.177 0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.496 -9.690 0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.640 -11.201 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.472 -9.003 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.963 -10.626 2.716 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.284 -9.568 -2.394 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.221 -8.551 -3.483 1.00 0.00 C ATOM 1148 C GLU A 69 -11.627 -8.183 -3.969 1.00 0.00 C ATOM 1149 O GLU A 69 -11.832 -7.139 -4.556 1.00 0.00 O ATOM 1150 CB GLU A 69 -9.426 -9.222 -4.602 1.00 0.00 C ATOM 1151 CG GLU A 69 -10.095 -10.544 -4.982 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.253 -10.620 -6.502 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.254 -10.481 -7.189 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -11.368 -10.818 -6.953 1.00 0.00 O ATOM 0 H GLU A 69 -9.995 -10.509 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.758 -7.623 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.375 -8.565 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.401 -9.401 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.496 -11.382 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.070 -10.622 -4.500 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.595 -9.026 -3.735 1.00 0.00 N ATOM 1162 CA ASP A 70 -13.978 -8.706 -4.196 1.00 0.00 C ATOM 1163 C ASP A 70 -14.507 -7.467 -3.468 1.00 0.00 C ATOM 1164 O ASP A 70 -15.266 -6.692 -4.013 1.00 0.00 O ATOM 1165 CB ASP A 70 -14.818 -9.939 -3.855 1.00 0.00 C ATOM 1166 CG ASP A 70 -14.612 -10.320 -2.386 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -14.838 -9.475 -1.537 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -14.240 -11.455 -2.137 1.00 0.00 O ATOM 0 H ASP A 70 -12.491 -9.916 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.012 -8.483 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.872 -9.735 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.535 -10.772 -4.499 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.114 -7.277 -2.238 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.590 -6.098 -1.475 1.00 0.00 C ATOM 1175 C ARG A 71 -13.882 -4.831 -1.960 1.00 0.00 C ATOM 1176 O ARG A 71 -14.180 -3.737 -1.524 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.218 -6.396 -0.023 1.00 0.00 C ATOM 1178 CG ARG A 71 -14.604 -5.207 0.861 1.00 0.00 C ATOM 1179 CD ARG A 71 -13.418 -4.244 0.972 1.00 0.00 C ATOM 1180 NE ARG A 71 -12.581 -4.788 2.076 1.00 0.00 N ATOM 1181 CZ ARG A 71 -11.349 -4.378 2.222 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -10.508 -4.471 1.227 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -10.959 -3.876 3.361 1.00 0.00 N ATOM 0 H ARG A 71 -13.480 -7.894 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.660 -5.929 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.730 -7.296 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.148 -6.589 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.466 -4.691 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.896 -5.557 1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.858 -4.199 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.752 -3.230 1.193 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.969 -5.480 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.813 -4.864 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.546 -4.151 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.616 -3.803 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.997 -3.556 3.475 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.938 -4.969 -2.853 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.206 -3.771 -3.353 1.00 0.00 C ATOM 1199 C VAL A 72 -13.178 -2.770 -3.980 1.00 0.00 C ATOM 1200 O VAL A 72 -13.112 -1.584 -3.723 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.228 -4.315 -4.397 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.969 -4.644 -5.694 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.161 -3.262 -4.681 1.00 0.00 C ATOM 0 H VAL A 72 -12.643 -5.858 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.691 -3.238 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.764 -5.223 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.263 -5.030 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.733 -5.395 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.440 -3.741 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.461 -3.644 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.635 -2.357 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.623 -3.032 -3.761 1.00 0.00 H new ATOM 1213 N ASN A 73 -14.086 -3.233 -4.790 1.00 0.00 N ATOM 1214 CA ASN A 73 -15.061 -2.300 -5.420 1.00 0.00 C ATOM 1215 C ASN A 73 -15.922 -1.650 -4.336 1.00 0.00 C ATOM 1216 O ASN A 73 -16.252 -0.483 -4.405 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.921 -3.175 -6.334 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.831 -2.286 -7.186 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -16.477 -1.910 -8.285 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -17.999 -1.930 -6.720 1.00 0.00 N ATOM 0 H ASN A 73 -14.196 -4.215 -5.043 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.573 -1.498 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.284 -3.783 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.521 -3.862 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.612 -1.337 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.297 -2.245 -5.797 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.286 -2.401 -3.336 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.124 -1.847 -2.244 1.00 0.00 C ATOM 1229 C ASP A 74 -16.368 -0.752 -1.487 1.00 0.00 C ATOM 1230 O ASP A 74 -16.878 0.326 -1.258 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.396 -3.038 -1.329 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.417 -2.640 -0.262 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.022 -1.994 0.695 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.575 -2.988 -0.420 1.00 0.00 O ATOM 0 H ASP A 74 -16.035 -3.384 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.041 -1.390 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.772 -3.879 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.470 -3.366 -0.857 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.159 -1.030 -1.086 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.368 -0.031 -0.335 1.00 0.00 C ATOM 1241 C LEU A 75 -14.045 1.187 -1.210 1.00 0.00 C ATOM 1242 O LEU A 75 -14.091 2.314 -0.759 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.084 -0.778 0.043 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.585 -0.290 1.403 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -12.821 1.211 1.500 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.357 -1.002 2.517 1.00 0.00 C ATOM 0 H LEU A 75 -14.685 -1.918 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.904 0.354 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.273 -1.851 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.319 -0.614 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.522 -0.507 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.469 1.573 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.277 1.717 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.886 1.419 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.001 -0.654 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.420 -0.782 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.200 -2.078 2.438 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.726 0.971 -2.454 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.408 2.116 -3.356 1.00 0.00 C ATOM 1260 C ALA A 76 -14.656 2.963 -3.536 1.00 0.00 C ATOM 1261 O ALA A 76 -14.619 4.176 -3.572 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.995 1.482 -4.684 1.00 0.00 C ATOM 0 H ALA A 76 -13.671 0.050 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.621 2.759 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.746 2.266 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.125 0.844 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.819 0.884 -5.073 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.763 2.302 -3.651 1.00 0.00 N ATOM 1269 CA ARG A 77 -17.054 2.992 -3.837 1.00 0.00 C ATOM 1270 C ARG A 77 -17.312 3.963 -2.673 1.00 0.00 C ATOM 1271 O ARG A 77 -17.691 5.097 -2.874 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.046 1.820 -3.866 1.00 0.00 C ATOM 1273 CG ARG A 77 -19.248 2.089 -2.960 1.00 0.00 C ATOM 1274 CD ARG A 77 -20.071 3.248 -3.530 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.344 2.868 -4.944 1.00 0.00 N ATOM 1276 CZ ARG A 77 -21.154 1.880 -5.212 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.771 0.648 -5.010 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -22.346 2.124 -5.681 1.00 0.00 N ATOM 0 H ARG A 77 -15.827 1.284 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.117 3.612 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.388 1.655 -4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.544 0.907 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.866 1.194 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.910 2.331 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.997 3.386 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.522 4.188 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.897 3.381 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.839 0.457 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.404 -0.124 -5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.645 3.086 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.979 1.352 -5.891 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.112 3.524 -1.460 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.355 4.422 -0.294 1.00 0.00 C ATOM 1294 C GLU A 78 -16.362 5.587 -0.292 1.00 0.00 C ATOM 1295 O GLU A 78 -16.732 6.730 -0.114 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.142 3.541 0.937 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.852 2.202 0.735 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.673 1.870 1.983 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.218 2.790 2.569 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.742 0.702 2.331 1.00 0.00 O ATOM 0 H GLU A 78 -16.792 2.584 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.353 4.860 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.077 3.379 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.529 4.040 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.501 2.250 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.122 1.415 0.546 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.101 5.307 -0.478 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.087 6.400 -0.475 1.00 0.00 C ATOM 1309 C LEU A 79 -14.371 7.406 -1.596 1.00 0.00 C ATOM 1310 O LEU A 79 -14.304 8.603 -1.398 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.748 5.697 -0.717 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.069 5.384 0.620 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -12.010 6.648 1.475 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.867 4.309 1.360 1.00 0.00 C ATOM 0 H LEU A 79 -14.729 4.370 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.096 6.962 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.908 4.776 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.100 6.330 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.057 5.024 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.526 6.422 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.440 7.415 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.021 7.010 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.383 4.087 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.879 4.669 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.908 3.404 0.754 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.674 6.934 -2.773 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.944 7.867 -3.906 1.00 0.00 C ATOM 1328 C ARG A 80 -16.181 8.730 -3.624 1.00 0.00 C ATOM 1329 O ARG A 80 -16.314 9.822 -4.141 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.187 6.958 -5.112 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.732 7.787 -6.276 1.00 0.00 C ATOM 1332 CD ARG A 80 -17.137 7.298 -6.633 1.00 0.00 C ATOM 1333 NE ARG A 80 -17.867 8.518 -7.072 1.00 0.00 N ATOM 1334 CZ ARG A 80 -18.462 8.539 -8.232 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -17.752 8.545 -9.328 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -19.765 8.554 -8.299 1.00 0.00 N ATOM 0 H ARG A 80 -14.747 5.942 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.118 8.559 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.258 6.468 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.894 6.171 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.760 8.842 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.073 7.698 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.106 6.550 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.624 6.834 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.902 9.338 -6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.733 8.533 -9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.216 8.561 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.320 8.549 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.229 8.570 -9.207 1.00 0.00 H new ATOM 1350 N ILE A 81 -17.090 8.250 -2.821 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.318 9.043 -2.525 1.00 0.00 C ATOM 1352 C ILE A 81 -17.991 10.266 -1.657 1.00 0.00 C ATOM 1353 O ILE A 81 -18.735 11.226 -1.627 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.236 8.073 -1.775 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.905 7.139 -2.784 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.311 8.854 -1.016 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.914 6.239 -2.065 1.00 0.00 C ATOM 0 H ILE A 81 -17.036 7.343 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.781 9.433 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.648 7.493 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.408 7.722 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.152 6.530 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.960 8.158 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.836 9.525 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.904 9.437 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.389 5.575 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.399 5.645 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.674 6.855 -1.585 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.896 10.245 -0.946 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.562 11.419 -0.084 1.00 0.00 C ATOM 1371 C ARG A 82 -16.154 12.618 -0.931 1.00 0.00 C ATOM 1372 O ARG A 82 -15.798 12.504 -2.086 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.404 10.974 0.800 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.046 12.083 1.792 1.00 0.00 C ATOM 1375 CD ARG A 82 -16.138 12.179 2.861 1.00 0.00 C ATOM 1376 NE ARG A 82 -16.299 13.637 3.125 1.00 0.00 N ATOM 1377 CZ ARG A 82 -16.097 14.107 4.324 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -14.890 14.417 4.710 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -17.105 14.266 5.139 1.00 0.00 N ATOM 0 H ARG A 82 -16.225 9.477 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.423 11.730 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.675 10.066 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.538 10.732 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.083 11.873 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.947 13.035 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.071 11.737 2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.851 11.644 3.766 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.567 14.266 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.103 14.292 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.733 14.785 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.048 14.023 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.949 14.634 6.078 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.217 13.769 -0.340 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.850 15.025 -1.062 1.00 0.00 C ATOM 1395 C ASP A 83 -14.334 15.131 -1.272 1.00 0.00 C ATOM 1396 O ASP A 83 -13.870 15.454 -2.347 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.341 16.156 -0.156 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.500 17.438 -0.977 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -15.503 18.108 -1.191 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -17.616 17.729 -1.375 1.00 0.00 O ATOM 0 H ASP A 83 -16.511 13.903 0.628 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.297 15.059 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.293 15.883 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.633 16.318 0.657 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.562 14.891 -0.245 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.078 15.008 -0.383 1.00 0.00 C ATOM 1407 C ASN A 84 -11.501 13.862 -1.216 1.00 0.00 C ATOM 1408 O ASN A 84 -10.531 14.032 -1.927 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.542 14.941 1.047 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.028 16.158 1.835 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -12.922 16.052 2.650 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.470 17.319 1.625 1.00 0.00 N ATOM 0 H ASN A 84 -13.892 14.620 0.681 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.798 15.929 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.880 14.024 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.452 14.913 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.785 18.138 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.719 17.408 0.940 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.074 12.696 -1.131 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.537 11.550 -1.912 1.00 0.00 C ATOM 1421 C VAL A 85 -12.061 11.590 -3.350 1.00 0.00 C ATOM 1422 O VAL A 85 -13.251 11.657 -3.586 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.050 10.315 -1.179 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.540 9.061 -1.880 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.541 10.335 0.266 1.00 0.00 C ATOM 0 H VAL A 85 -12.890 12.487 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.449 11.564 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.140 10.315 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.906 8.177 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.899 9.048 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.450 9.060 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.906 9.453 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.451 10.333 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.903 11.233 0.767 1.00 0.00 H new ATOM 1435 N ARG A 86 -11.180 11.554 -4.314 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.629 11.592 -5.737 1.00 0.00 C ATOM 1437 C ARG A 86 -11.602 10.188 -6.345 1.00 0.00 C ATOM 1438 O ARG A 86 -12.446 9.830 -7.142 1.00 0.00 O ATOM 1439 CB ARG A 86 -10.623 12.500 -6.445 1.00 0.00 C ATOM 1440 CG ARG A 86 -11.373 13.495 -7.334 1.00 0.00 C ATOM 1441 CD ARG A 86 -10.928 13.315 -8.787 1.00 0.00 C ATOM 1442 NE ARG A 86 -12.187 13.077 -9.546 1.00 0.00 N ATOM 1443 CZ ARG A 86 -12.219 12.172 -10.484 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -12.266 10.907 -10.169 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -12.207 12.532 -11.737 1.00 0.00 N ATOM 0 H ARG A 86 -10.170 11.500 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.651 11.958 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.020 13.034 -5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.938 11.903 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.448 13.337 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.174 14.515 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.407 14.200 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.241 12.475 -8.889 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.023 13.621 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.278 10.626 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.291 10.199 -10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.173 13.521 -11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.232 11.824 -12.471 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.639 9.386 -5.977 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.563 8.006 -6.536 1.00 0.00 C ATOM 1461 C ARG A 87 -9.865 7.072 -5.546 1.00 0.00 C ATOM 1462 O ARG A 87 -9.270 7.506 -4.580 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.737 8.137 -7.813 1.00 0.00 C ATOM 1464 CG ARG A 87 -10.460 9.054 -8.799 1.00 0.00 C ATOM 1465 CD ARG A 87 -9.897 8.837 -10.203 1.00 0.00 C ATOM 1466 NE ARG A 87 -9.794 10.202 -10.790 1.00 0.00 N ATOM 1467 CZ ARG A 87 -9.393 10.353 -12.021 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -10.123 9.906 -13.006 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -8.259 10.953 -12.267 1.00 0.00 N ATOM 0 H ARG A 87 -9.902 9.627 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.551 7.588 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.751 8.541 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.582 7.155 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.530 8.846 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.335 10.095 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.924 8.348 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.552 8.200 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.037 11.018 -10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.008 9.438 -12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.808 10.025 -13.969 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.689 11.302 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.943 11.072 -13.230 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.929 5.791 -5.782 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.268 4.827 -4.857 1.00 0.00 C ATOM 1485 C VAL A 88 -8.411 3.835 -5.648 1.00 0.00 C ATOM 1486 O VAL A 88 -8.895 3.131 -6.512 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.419 4.107 -4.154 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.862 2.976 -3.287 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.173 5.102 -3.271 1.00 0.00 C ATOM 0 H VAL A 88 -10.411 5.369 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.602 5.321 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.098 3.691 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.683 2.463 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.322 2.268 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.184 3.390 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.995 4.592 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.493 5.516 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.570 5.908 -3.888 1.00 0.00 H new ATOM 1499 N MET A 89 -7.141 3.772 -5.356 1.00 0.00 N ATOM 1500 CA MET A 89 -6.256 2.824 -6.090 1.00 0.00 C ATOM 1501 C MET A 89 -5.900 1.637 -5.192 1.00 0.00 C ATOM 1502 O MET A 89 -5.268 1.792 -4.166 1.00 0.00 O ATOM 1503 CB MET A 89 -5.006 3.633 -6.437 1.00 0.00 C ATOM 1504 CG MET A 89 -4.764 3.574 -7.946 1.00 0.00 C ATOM 1505 SD MET A 89 -3.333 4.595 -8.373 1.00 0.00 S ATOM 1506 CE MET A 89 -3.110 3.975 -10.058 1.00 0.00 C ATOM 0 H MET A 89 -6.678 4.335 -4.642 1.00 0.00 H new ATOM 0 HA MET A 89 -6.733 2.417 -6.981 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.129 4.668 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.143 3.235 -5.903 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.593 2.543 -8.257 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.647 3.926 -8.480 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.262 4.479 -10.522 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.923 2.902 -10.029 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.011 4.171 -10.640 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.299 0.454 -5.570 1.00 0.00 N ATOM 1517 CA VAL A 90 -5.983 -0.742 -4.737 1.00 0.00 C ATOM 1518 C VAL A 90 -4.852 -1.546 -5.384 1.00 0.00 C ATOM 1519 O VAL A 90 -4.946 -1.960 -6.524 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.278 -1.554 -4.701 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.469 -2.283 -6.033 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -7.205 -2.575 -3.565 1.00 0.00 C ATOM 0 H VAL A 90 -6.830 0.263 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.648 -0.476 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.121 -0.883 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.393 -2.860 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.523 -1.555 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.627 -2.954 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.127 -3.155 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.360 -3.244 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.075 -2.055 -2.616 1.00 0.00 H new ATOM 1532 N VAL A 91 -3.783 -1.766 -4.671 1.00 0.00 N ATOM 1533 CA VAL A 91 -2.647 -2.539 -5.253 1.00 0.00 C ATOM 1534 C VAL A 91 -2.299 -3.724 -4.350 1.00 0.00 C ATOM 1535 O VAL A 91 -2.524 -3.692 -3.157 1.00 0.00 O ATOM 1536 CB VAL A 91 -1.468 -1.560 -5.322 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -0.518 -1.992 -6.441 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.969 -0.140 -5.609 1.00 0.00 C ATOM 0 H VAL A 91 -3.645 -1.445 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.894 -2.940 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.948 -1.566 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.321 -1.299 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.147 -2.996 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.051 -1.989 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.121 0.543 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.498 -0.126 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.645 0.175 -4.814 1.00 0.00 H new ATOM 1548 N LYS A 92 -1.750 -4.768 -4.908 1.00 0.00 N ATOM 1549 CA LYS A 92 -1.386 -5.949 -4.075 1.00 0.00 C ATOM 1550 C LYS A 92 -0.045 -5.708 -3.379 1.00 0.00 C ATOM 1551 O LYS A 92 0.787 -4.963 -3.855 1.00 0.00 O ATOM 1552 CB LYS A 92 -1.279 -7.113 -5.061 1.00 0.00 C ATOM 1553 CG LYS A 92 -0.030 -6.938 -5.926 1.00 0.00 C ATOM 1554 CD LYS A 92 -0.333 -7.379 -7.360 1.00 0.00 C ATOM 1555 CE LYS A 92 0.764 -6.869 -8.297 1.00 0.00 C ATOM 1556 NZ LYS A 92 0.179 -5.669 -8.958 1.00 0.00 N ATOM 0 H LYS A 92 -1.538 -4.854 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.119 -6.146 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.230 -8.058 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.168 -7.152 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.289 -5.896 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.792 -7.527 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.393 -8.466 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.302 -6.991 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.668 -6.614 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.042 -7.627 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.873 -5.263 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.676 -5.944 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.069 -4.962 -8.237 1.00 0.00 H new ATOM 1570 N SER A 93 0.170 -6.330 -2.253 1.00 0.00 N ATOM 1571 CA SER A 93 1.458 -6.130 -1.530 1.00 0.00 C ATOM 1572 C SER A 93 2.609 -6.763 -2.318 1.00 0.00 C ATOM 1573 O SER A 93 2.774 -7.966 -2.338 1.00 0.00 O ATOM 1574 CB SER A 93 1.275 -6.834 -0.185 1.00 0.00 C ATOM 1575 OG SER A 93 1.091 -8.226 -0.405 1.00 0.00 O ATOM 0 H SER A 93 -0.488 -6.966 -1.803 1.00 0.00 H new ATOM 0 HA SER A 93 1.701 -5.075 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.146 -6.666 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.415 -6.420 0.341 1.00 0.00 H new ATOM 0 HG SER A 93 1.581 -8.498 -1.209 1.00 0.00 H new ATOM 1581 N GLN A 94 3.404 -5.959 -2.969 1.00 0.00 N ATOM 1582 CA GLN A 94 4.542 -6.512 -3.759 1.00 0.00 C ATOM 1583 C GLN A 94 5.848 -6.383 -2.972 1.00 0.00 C ATOM 1584 O GLN A 94 5.898 -5.760 -1.930 1.00 0.00 O ATOM 1585 CB GLN A 94 4.594 -5.655 -5.024 1.00 0.00 C ATOM 1586 CG GLN A 94 4.783 -4.187 -4.637 1.00 0.00 C ATOM 1587 CD GLN A 94 5.895 -3.572 -5.489 1.00 0.00 C ATOM 1588 OE1 GLN A 94 5.695 -3.284 -6.652 1.00 0.00 O ATOM 1589 NE2 GLN A 94 7.066 -3.356 -4.955 1.00 0.00 N ATOM 0 H GLN A 94 3.315 -4.943 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 94 4.412 -7.570 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.413 -5.982 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.674 -5.776 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.853 -3.639 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.035 -4.109 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.234 -3.598 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.814 -2.945 -5.514 1.00 0.00 H new ATOM 1598 N GLU A 95 6.908 -6.964 -3.466 1.00 0.00 N ATOM 1599 CA GLU A 95 8.211 -6.870 -2.749 1.00 0.00 C ATOM 1600 C GLU A 95 8.682 -5.412 -2.708 1.00 0.00 C ATOM 1601 O GLU A 95 8.782 -4.765 -3.732 1.00 0.00 O ATOM 1602 CB GLU A 95 9.179 -7.726 -3.568 1.00 0.00 C ATOM 1603 CG GLU A 95 9.182 -9.156 -3.024 1.00 0.00 C ATOM 1604 CD GLU A 95 10.444 -9.384 -2.190 1.00 0.00 C ATOM 1605 OE1 GLU A 95 10.696 -8.586 -1.302 1.00 0.00 O ATOM 1606 OE2 GLU A 95 11.136 -10.354 -2.450 1.00 0.00 O ATOM 0 H GLU A 95 6.928 -7.499 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 95 8.143 -7.213 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.883 -7.725 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.183 -7.305 -3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.295 -9.326 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.144 -9.869 -3.847 1.00 0.00 H new ATOM 1613 N PRO A 96 8.951 -4.942 -1.519 1.00 0.00 N ATOM 1614 CA PRO A 96 9.410 -3.542 -1.342 1.00 0.00 C ATOM 1615 C PRO A 96 10.846 -3.373 -1.844 1.00 0.00 C ATOM 1616 O PRO A 96 11.698 -4.206 -1.614 1.00 0.00 O ATOM 1617 CB PRO A 96 9.334 -3.330 0.169 1.00 0.00 C ATOM 1618 CG PRO A 96 9.446 -4.699 0.757 1.00 0.00 C ATOM 1619 CD PRO A 96 8.855 -5.658 -0.244 1.00 0.00 C ATOM 0 HA PRO A 96 8.811 -2.824 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.139 -2.683 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.396 -2.853 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.488 -4.947 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.913 -4.756 1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.407 -6.597 -0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.821 -5.903 -0.000 1.00 0.00 H new ATOM 1627 N PHE A 97 11.117 -2.294 -2.528 1.00 0.00 N ATOM 1628 CA PHE A 97 12.494 -2.060 -3.046 1.00 0.00 C ATOM 1629 C PHE A 97 13.006 -0.699 -2.564 1.00 0.00 C ATOM 1630 O PHE A 97 12.236 0.194 -2.271 1.00 0.00 O ATOM 1631 CB PHE A 97 12.354 -2.076 -4.569 1.00 0.00 C ATOM 1632 CG PHE A 97 12.955 -3.349 -5.116 1.00 0.00 C ATOM 1633 CD1 PHE A 97 14.326 -3.594 -4.969 1.00 0.00 C ATOM 1634 CD2 PHE A 97 12.144 -4.284 -5.769 1.00 0.00 C ATOM 1635 CE1 PHE A 97 14.884 -4.773 -5.473 1.00 0.00 C ATOM 1636 CE2 PHE A 97 12.701 -5.464 -6.274 1.00 0.00 C ATOM 1637 CZ PHE A 97 14.073 -5.710 -6.127 1.00 0.00 C ATOM 0 H PHE A 97 10.441 -1.563 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 97 13.204 -2.811 -2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 97 11.303 -2.008 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 97 12.856 -1.210 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 97 14.953 -2.872 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 97 11.087 -4.095 -5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 97 15.941 -4.962 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 97 12.074 -6.185 -6.777 1.00 0.00 H new ATOM 0 HZ PHE A 97 14.504 -6.620 -6.517 1.00 0.00 H new ATOM 1647 N LEU A 98 14.298 -0.535 -2.473 1.00 0.00 N ATOM 1648 CA LEU A 98 14.853 0.768 -2.005 1.00 0.00 C ATOM 1649 C LEU A 98 15.307 1.616 -3.198 1.00 0.00 C ATOM 1650 O LEU A 98 15.940 1.128 -4.112 1.00 0.00 O ATOM 1651 CB LEU A 98 16.046 0.396 -1.125 1.00 0.00 C ATOM 1652 CG LEU A 98 15.927 1.103 0.225 1.00 0.00 C ATOM 1653 CD1 LEU A 98 15.997 2.618 0.016 1.00 0.00 C ATOM 1654 CD2 LEU A 98 14.589 0.740 0.870 1.00 0.00 C ATOM 0 H LEU A 98 14.993 -1.246 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 98 14.114 1.359 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 98 16.081 -0.684 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 98 16.976 0.682 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 98 16.744 0.788 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.912 3.122 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 98 16.949 2.878 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.180 2.934 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.501 1.243 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.774 1.057 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 98 14.537 -0.339 1.018 1.00 0.00 H new ATOM 1666 N ALA A 99 14.989 2.882 -3.194 1.00 0.00 N ATOM 1667 CA ALA A 99 15.404 3.760 -4.325 1.00 0.00 C ATOM 1668 C ALA A 99 15.345 5.232 -3.906 1.00 0.00 C ATOM 1669 O ALA A 99 16.316 5.794 -3.439 1.00 0.00 O ATOM 1670 CB ALA A 99 14.392 3.480 -5.435 1.00 0.00 C ATOM 0 H ALA A 99 14.460 3.346 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 99 16.427 3.563 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.629 4.090 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 99 14.434 2.426 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.390 3.724 -5.083 1.00 0.00 H new ATOM 1676 N ASN A 100 14.213 5.860 -4.070 1.00 0.00 N ATOM 1677 CA ASN A 100 14.092 7.294 -3.682 1.00 0.00 C ATOM 1678 C ASN A 100 12.936 7.482 -2.697 1.00 0.00 C ATOM 1679 O ASN A 100 11.780 7.424 -3.065 1.00 0.00 O ATOM 1680 CB ASN A 100 13.808 8.037 -4.989 1.00 0.00 C ATOM 1681 CG ASN A 100 15.112 8.209 -5.771 1.00 0.00 C ATOM 1682 OD1 ASN A 100 16.186 8.108 -5.213 1.00 0.00 O ATOM 1683 ND2 ASN A 100 15.063 8.467 -7.050 1.00 0.00 N ATOM 0 H ASN A 100 13.366 5.442 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 100 14.991 7.664 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.084 7.482 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.367 9.011 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.927 8.584 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.161 8.552 -7.519 1.00 0.00 H new ATOM 1690 N ALA A 101 13.238 7.707 -1.449 1.00 0.00 N ATOM 1691 CA ALA A 101 12.155 7.900 -0.444 1.00 0.00 C ATOM 1692 C ALA A 101 12.055 9.376 -0.051 1.00 0.00 C ATOM 1693 O ALA A 101 12.885 10.146 -0.508 1.00 0.00 O ATOM 1694 CB ALA A 101 12.571 7.052 0.757 1.00 0.00 C ATOM 1695 OXT ALA A 101 11.153 9.710 0.697 1.00 0.00 O ATOM 0 H ALA A 101 14.188 7.766 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 101 11.178 7.607 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.821 7.142 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.656 6.008 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.533 7.400 1.132 1.00 0.00 H new TER 1701 ALA A 101