USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.788) USER MOD Single : A 5 GLN : amide:sc= -2.18! C(o=-2.2!,f=-3.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 179:sc= -0.344 (180deg=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= -11.8! (180deg=-17.3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.656! USER MOD Single : A 33 ASN : amide:sc= 0.0766 K(o=0.077,f=-3.2!) USER MOD Single : A 34 TYR OH : rot 75:sc= 0.0055 USER MOD Single : A 35 SER OG : rot 180:sc= -0.732! USER MOD Single : A 36 SER OG : rot -19:sc= 0.748 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 46 ASN : amide:sc= -3.12 X(o=-3.1,f=-3.6!) USER MOD Single : A 48 SER OG : rot -90:sc= 0.00104 USER MOD Single : A 50 CYS SG : rot 180:sc= -2.11! USER MOD Single : A 51 SER OG : rot 180:sc= -0.759 USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= -0.218 (180deg=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= -0.0121 (180deg=-1.21!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.577 K(o=0.58,f=-5.5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -21.055 -20.156 -8.223 1.00 0.00 N ATOM 2 CA ILE A -2 -21.572 -19.645 -6.926 1.00 0.00 C ATOM 3 C ILE A -2 -21.955 -18.171 -7.023 1.00 0.00 C ATOM 4 O ILE A -2 -22.849 -17.704 -6.316 1.00 0.00 O ATOM 5 CB ILE A -2 -20.534 -19.827 -5.795 1.00 0.00 C ATOM 6 CG1 ILE A -2 -21.129 -19.400 -4.449 1.00 0.00 C ATOM 7 CG2 ILE A -2 -19.265 -19.041 -6.097 1.00 0.00 C ATOM 8 CD1 ILE A -2 -21.140 -20.505 -3.415 1.00 0.00 C ATOM 0 H1 ILE A -2 -20.787 -21.156 -8.120 1.00 0.00 H new ATOM 0 H2 ILE A -2 -21.793 -20.068 -8.950 1.00 0.00 H new ATOM 0 H3 ILE A -2 -20.222 -19.602 -8.507 1.00 0.00 H new ATOM 0 HA ILE A -2 -22.461 -20.229 -6.690 1.00 0.00 H new ATOM 0 HB ILE A -2 -20.272 -20.883 -5.735 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -20.559 -18.556 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -22.149 -19.051 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -18.548 -19.183 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -18.832 -19.395 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -19.506 -17.982 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -21.575 -20.131 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -21.734 -21.342 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -20.119 -20.839 -3.229 1.00 0.00 H new ATOM 22 N SER A -1 -21.280 -17.444 -7.911 1.00 0.00 N ATOM 23 CA SER A -1 -21.551 -16.022 -8.105 1.00 0.00 C ATOM 24 C SER A -1 -21.104 -15.216 -6.890 1.00 0.00 C ATOM 25 O SER A -1 -21.345 -15.610 -5.750 1.00 0.00 O ATOM 26 CB SER A -1 -23.042 -15.789 -8.374 1.00 0.00 C ATOM 27 OG SER A -1 -23.260 -15.364 -9.707 1.00 0.00 O ATOM 0 H SER A -1 -20.541 -17.817 -8.508 1.00 0.00 H new ATOM 0 HA SER A -1 -20.983 -15.685 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A -1 -23.596 -16.709 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A -1 -23.426 -15.039 -7.683 1.00 0.00 H new ATOM 0 HG SER A -1 -24.219 -15.224 -9.853 1.00 0.00 H new ATOM 33 N SER A 2 -20.446 -14.090 -7.142 1.00 0.00 N ATOM 34 CA SER A 2 -19.963 -13.235 -6.066 1.00 0.00 C ATOM 35 C SER A 2 -20.055 -11.760 -6.454 1.00 0.00 C ATOM 36 O SER A 2 -19.476 -11.340 -7.456 1.00 0.00 O ATOM 37 CB SER A 2 -18.516 -13.591 -5.719 1.00 0.00 C ATOM 38 OG SER A 2 -17.891 -12.546 -4.992 1.00 0.00 O ATOM 0 H SER A 2 -20.236 -13.749 -8.080 1.00 0.00 H new ATOM 0 HA SER A 2 -20.594 -13.401 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.495 -14.509 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.957 -13.786 -6.634 1.00 0.00 H new ATOM 0 HG SER A 2 -16.968 -12.800 -4.782 1.00 0.00 H new ATOM 44 N PRO A 3 -20.780 -10.945 -5.664 1.00 0.00 N ATOM 45 CA PRO A 3 -20.930 -9.523 -5.932 1.00 0.00 C ATOM 46 C PRO A 3 -19.802 -8.700 -5.319 1.00 0.00 C ATOM 47 O PRO A 3 -20.041 -7.660 -4.706 1.00 0.00 O ATOM 48 CB PRO A 3 -22.269 -9.175 -5.278 1.00 0.00 C ATOM 49 CG PRO A 3 -22.550 -10.258 -4.282 1.00 0.00 C ATOM 50 CD PRO A 3 -21.505 -11.337 -4.449 1.00 0.00 C ATOM 0 HA PRO A 3 -20.896 -9.302 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -22.221 -8.202 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.062 -9.119 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -22.525 -9.858 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -23.548 -10.668 -4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.841 -11.386 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -21.961 -12.321 -4.556 1.00 0.00 H new ATOM 58 N LYS A 4 -18.569 -9.175 -5.488 1.00 0.00 N ATOM 59 CA LYS A 4 -17.400 -8.489 -4.950 1.00 0.00 C ATOM 60 C LYS A 4 -17.543 -8.252 -3.450 1.00 0.00 C ATOM 61 O LYS A 4 -18.255 -7.344 -3.019 1.00 0.00 O ATOM 62 CB LYS A 4 -17.183 -7.155 -5.669 1.00 0.00 C ATOM 63 CG LYS A 4 -15.790 -6.577 -5.468 1.00 0.00 C ATOM 64 CD LYS A 4 -15.839 -5.083 -5.180 1.00 0.00 C ATOM 65 CE LYS A 4 -15.627 -4.793 -3.702 1.00 0.00 C ATOM 66 NZ LYS A 4 -16.881 -4.959 -2.915 1.00 0.00 N ATOM 0 H LYS A 4 -18.356 -10.034 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.533 -9.129 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.360 -7.293 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.921 -6.436 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.298 -7.091 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.189 -6.757 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.074 -4.573 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.802 -4.682 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.861 -5.460 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.256 -3.775 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.645 -5.106 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.467 -4.105 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.408 -5.782 -3.271 1.00 0.00 H new ATOM 80 N GLN A 5 -16.854 -9.066 -2.658 1.00 0.00 N ATOM 81 CA GLN A 5 -16.899 -8.933 -1.204 1.00 0.00 C ATOM 82 C GLN A 5 -15.835 -7.956 -0.712 1.00 0.00 C ATOM 83 O GLN A 5 -16.113 -6.771 -0.525 1.00 0.00 O ATOM 84 CB GLN A 5 -16.760 -10.300 -0.504 1.00 0.00 C ATOM 85 CG GLN A 5 -16.286 -11.438 -1.403 1.00 0.00 C ATOM 86 CD GLN A 5 -14.820 -11.338 -1.779 1.00 0.00 C ATOM 87 OE1 GLN A 5 -14.481 -10.976 -2.906 1.00 0.00 O ATOM 88 NE2 GLN A 5 -13.944 -11.659 -0.834 1.00 0.00 N ATOM 0 H GLN A 5 -16.259 -9.823 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.877 -8.530 -0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.061 -10.197 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.725 -10.572 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.460 -12.388 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.887 -11.447 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.271 -11.954 0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.944 -11.611 -1.028 1.00 0.00 H new ATOM 97 N GLU A 6 -14.618 -8.447 -0.510 1.00 0.00 N ATOM 98 CA GLU A 6 -13.527 -7.608 -0.052 1.00 0.00 C ATOM 99 C GLU A 6 -12.237 -8.408 0.069 1.00 0.00 C ATOM 100 O GLU A 6 -11.557 -8.358 1.094 1.00 0.00 O ATOM 101 CB GLU A 6 -13.869 -6.958 1.290 1.00 0.00 C ATOM 102 CG GLU A 6 -14.187 -7.960 2.386 1.00 0.00 C ATOM 103 CD GLU A 6 -14.811 -7.311 3.605 1.00 0.00 C ATOM 104 OE1 GLU A 6 -15.626 -6.380 3.429 1.00 0.00 O ATOM 105 OE2 GLU A 6 -14.487 -7.732 4.735 1.00 0.00 O ATOM 0 H GLU A 6 -14.366 -9.424 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.378 -6.823 -0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.031 -6.338 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.724 -6.295 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.866 -8.718 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.272 -8.473 2.681 1.00 0.00 H new ATOM 112 N GLU A 7 -11.899 -9.147 -0.987 1.00 0.00 N ATOM 113 CA GLU A 7 -10.684 -9.946 -0.998 1.00 0.00 C ATOM 114 C GLU A 7 -9.487 -9.075 -0.633 1.00 0.00 C ATOM 115 O GLU A 7 -9.645 -7.882 -0.395 1.00 0.00 O ATOM 116 CB GLU A 7 -10.471 -10.580 -2.378 1.00 0.00 C ATOM 117 CG GLU A 7 -10.478 -12.101 -2.361 1.00 0.00 C ATOM 118 CD GLU A 7 -9.267 -12.682 -1.659 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.214 -12.616 -0.413 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.368 -13.201 -2.355 1.00 0.00 O ATOM 0 H GLU A 7 -12.451 -9.206 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.784 -10.744 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.252 -10.230 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.520 -10.235 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.383 -12.451 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.512 -12.472 -3.385 1.00 0.00 H new ATOM 127 N TYR A 8 -8.296 -9.667 -0.611 1.00 0.00 N ATOM 128 CA TYR A 8 -7.071 -8.942 -0.284 1.00 0.00 C ATOM 129 C TYR A 8 -6.929 -7.654 -1.103 1.00 0.00 C ATOM 130 O TYR A 8 -6.003 -7.514 -1.903 1.00 0.00 O ATOM 131 CB TYR A 8 -5.861 -9.851 -0.525 1.00 0.00 C ATOM 132 CG TYR A 8 -5.568 -10.126 -1.989 1.00 0.00 C ATOM 133 CD1 TYR A 8 -6.559 -10.002 -2.959 1.00 0.00 C ATOM 134 CD2 TYR A 8 -4.299 -10.509 -2.399 1.00 0.00 C ATOM 135 CE1 TYR A 8 -6.291 -10.252 -4.289 1.00 0.00 C ATOM 136 CE2 TYR A 8 -4.024 -10.760 -3.731 1.00 0.00 C ATOM 137 CZ TYR A 8 -5.022 -10.630 -4.670 1.00 0.00 C ATOM 138 OH TYR A 8 -4.751 -10.881 -5.997 1.00 0.00 O ATOM 0 H TYR A 8 -8.153 -10.656 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.121 -8.656 0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.982 -9.394 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.027 -10.800 -0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.555 -9.705 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.513 -10.613 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.072 -10.152 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.030 -11.057 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.810 -11.135 -6.096 1.00 0.00 H new ATOM 148 N GLU A 9 -7.834 -6.705 -0.888 1.00 0.00 N ATOM 149 CA GLU A 9 -7.787 -5.437 -1.602 1.00 0.00 C ATOM 150 C GLU A 9 -6.785 -4.498 -0.944 1.00 0.00 C ATOM 151 O GLU A 9 -5.678 -4.320 -1.443 1.00 0.00 O ATOM 152 CB GLU A 9 -9.176 -4.783 -1.676 1.00 0.00 C ATOM 153 CG GLU A 9 -10.010 -4.915 -0.405 1.00 0.00 C ATOM 154 CD GLU A 9 -10.443 -3.572 0.154 1.00 0.00 C ATOM 155 OE1 GLU A 9 -9.900 -2.537 -0.289 1.00 0.00 O ATOM 156 OE2 GLU A 9 -11.324 -3.555 1.040 1.00 0.00 O ATOM 0 H GLU A 9 -8.606 -6.791 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.462 -5.637 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.053 -3.725 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.728 -5.227 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.893 -5.518 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.433 -5.449 0.350 1.00 0.00 H new ATOM 163 N VAL A 10 -7.172 -3.908 0.186 1.00 0.00 N ATOM 164 CA VAL A 10 -6.302 -2.992 0.917 1.00 0.00 C ATOM 165 C VAL A 10 -5.698 -1.940 -0.022 1.00 0.00 C ATOM 166 O VAL A 10 -6.336 -1.539 -0.996 1.00 0.00 O ATOM 167 CB VAL A 10 -5.196 -3.766 1.684 1.00 0.00 C ATOM 168 CG1 VAL A 10 -5.801 -4.963 2.394 1.00 0.00 C ATOM 169 CG2 VAL A 10 -4.068 -4.220 0.764 1.00 0.00 C ATOM 0 H VAL A 10 -8.086 -4.050 0.615 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.910 -2.467 1.654 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.765 -3.083 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.019 -5.501 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.557 -4.623 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.261 -5.626 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.318 -4.757 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.470 -4.878 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.609 -3.350 0.295 1.00 0.00 H new ATOM 179 N GLU A 11 -4.490 -1.472 0.279 1.00 0.00 N ATOM 180 CA GLU A 11 -3.845 -0.460 -0.545 1.00 0.00 C ATOM 181 C GLU A 11 -2.405 -0.850 -0.855 1.00 0.00 C ATOM 182 O GLU A 11 -1.475 -0.283 -0.283 1.00 0.00 O ATOM 183 CB GLU A 11 -3.871 0.895 0.167 1.00 0.00 C ATOM 184 CG GLU A 11 -5.190 1.196 0.859 1.00 0.00 C ATOM 185 CD GLU A 11 -5.467 2.684 0.960 1.00 0.00 C ATOM 186 OE1 GLU A 11 -4.737 3.470 0.318 1.00 0.00 O ATOM 187 OE2 GLU A 11 -6.413 3.065 1.681 1.00 0.00 O ATOM 0 H GLU A 11 -3.942 -1.777 1.084 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.395 -0.385 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.069 0.923 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.664 1.681 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.001 0.715 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.179 0.763 1.859 1.00 0.00 H new ATOM 194 N ARG A 12 -2.233 -1.824 -1.759 1.00 0.00 N ATOM 195 CA ARG A 12 -0.900 -2.308 -2.156 1.00 0.00 C ATOM 196 C ARG A 12 0.165 -1.233 -1.914 1.00 0.00 C ATOM 197 O ARG A 12 0.429 -0.394 -2.775 1.00 0.00 O ATOM 198 CB ARG A 12 -0.875 -2.742 -3.634 1.00 0.00 C ATOM 199 CG ARG A 12 -2.234 -3.112 -4.230 1.00 0.00 C ATOM 200 CD ARG A 12 -2.675 -4.509 -3.829 1.00 0.00 C ATOM 201 NE ARG A 12 -3.409 -5.178 -4.901 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.801 -6.450 -4.847 1.00 0.00 C ATOM 203 NH1 ARG A 12 -3.553 -7.182 -3.769 1.00 0.00 N ATOM 204 NH2 ARG A 12 -4.444 -6.990 -5.874 1.00 0.00 N ATOM 0 H ARG A 12 -3.004 -2.296 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.675 -3.177 -1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.445 -1.934 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.208 -3.599 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.981 -2.389 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.182 -3.047 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.801 -5.103 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.304 -4.450 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.634 -4.640 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.060 -6.771 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.855 -8.155 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.638 -6.431 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.744 -7.964 -5.833 1.00 0.00 H new ATOM 218 N ILE A 13 0.736 -1.247 -0.711 1.00 0.00 N ATOM 219 CA ILE A 13 1.737 -0.264 -0.307 1.00 0.00 C ATOM 220 C ILE A 13 1.189 1.163 -0.388 1.00 0.00 C ATOM 221 O ILE A 13 0.882 1.659 -1.468 1.00 0.00 O ATOM 222 CB ILE A 13 3.015 -0.305 -1.159 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.460 -1.723 -1.491 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.133 0.428 -0.427 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.811 -2.557 -0.282 1.00 0.00 C ATOM 0 H ILE A 13 0.518 -1.937 0.008 1.00 0.00 H new ATOM 0 HA ILE A 13 1.983 -0.534 0.720 1.00 0.00 H new ATOM 0 HB ILE A 13 2.790 0.186 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.665 -2.222 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.326 -1.676 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.041 0.401 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.840 1.464 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.319 -0.056 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.118 -3.552 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.628 -2.083 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.941 -2.638 0.369 1.00 0.00 H new ATOM 237 N VAL A 14 1.077 1.816 0.761 1.00 0.00 N ATOM 238 CA VAL A 14 0.582 3.191 0.818 1.00 0.00 C ATOM 239 C VAL A 14 1.718 4.177 1.091 1.00 0.00 C ATOM 240 O VAL A 14 1.552 5.385 0.918 1.00 0.00 O ATOM 241 CB VAL A 14 -0.520 3.365 1.894 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.211 2.514 3.098 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.675 4.820 2.325 1.00 0.00 C ATOM 0 H VAL A 14 1.321 1.418 1.668 1.00 0.00 H new ATOM 0 HA VAL A 14 0.148 3.405 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.461 3.045 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.992 2.645 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.165 1.466 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.749 2.814 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.458 4.894 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.266 5.178 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.944 5.428 1.462 1.00 0.00 H new ATOM 253 N ASP A 15 2.882 3.675 1.499 1.00 0.00 N ATOM 254 CA ASP A 15 4.013 4.557 1.772 1.00 0.00 C ATOM 255 C ASP A 15 5.306 3.765 1.882 1.00 0.00 C ATOM 256 O ASP A 15 5.289 2.538 1.878 1.00 0.00 O ATOM 257 CB ASP A 15 3.778 5.367 3.047 1.00 0.00 C ATOM 258 CG ASP A 15 4.324 6.777 2.944 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.051 7.448 1.927 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.028 7.210 3.881 1.00 0.00 O ATOM 0 H ASP A 15 3.065 2.682 1.645 1.00 0.00 H new ATOM 0 HA ASP A 15 4.104 5.249 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.709 5.409 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.248 4.859 3.889 1.00 0.00 H new ATOM 265 N GLU A 16 6.431 4.462 1.929 1.00 0.00 N ATOM 266 CA GLU A 16 7.721 3.795 1.999 1.00 0.00 C ATOM 267 C GLU A 16 8.772 4.657 2.697 1.00 0.00 C ATOM 268 O GLU A 16 8.770 5.883 2.584 1.00 0.00 O ATOM 269 CB GLU A 16 8.188 3.419 0.586 1.00 0.00 C ATOM 270 CG GLU A 16 7.405 4.118 -0.514 1.00 0.00 C ATOM 271 CD GLU A 16 7.499 5.630 -0.430 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.558 6.136 -0.004 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.514 6.307 -0.793 1.00 0.00 O ATOM 0 H GLU A 16 6.477 5.481 1.920 1.00 0.00 H new ATOM 0 HA GLU A 16 7.599 2.890 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.245 3.666 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.098 2.340 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.776 3.788 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.358 3.819 -0.455 1.00 0.00 H new ATOM 280 N LYS A 17 9.696 3.985 3.373 1.00 0.00 N ATOM 281 CA LYS A 17 10.798 4.630 4.059 1.00 0.00 C ATOM 282 C LYS A 17 12.109 4.075 3.546 1.00 0.00 C ATOM 283 O LYS A 17 12.385 2.862 3.675 1.00 0.00 O ATOM 284 CB LYS A 17 10.759 4.396 5.562 1.00 0.00 C ATOM 285 CG LYS A 17 10.067 5.498 6.352 1.00 0.00 C ATOM 286 CD LYS A 17 8.763 5.030 6.983 1.00 0.00 C ATOM 287 CE LYS A 17 8.723 3.520 7.179 1.00 0.00 C ATOM 288 NZ LYS A 17 8.405 2.815 5.904 1.00 0.00 N ATOM 0 H LYS A 17 9.697 2.969 3.458 1.00 0.00 H new ATOM 0 HA LYS A 17 10.709 5.699 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.251 3.452 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.780 4.290 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.737 5.857 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.866 6.342 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.631 5.522 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.927 5.334 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.685 3.175 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.976 3.269 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.656 2.113 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.079 3.505 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.257 2.334 5.551 1.00 0.00 H new ATOM 302 N LEU A 18 12.915 4.981 3.019 1.00 0.00 N ATOM 303 CA LEU A 18 14.228 4.648 2.521 1.00 0.00 C ATOM 304 C LEU A 18 15.270 5.151 3.498 1.00 0.00 C ATOM 305 O LEU A 18 14.978 5.983 4.357 1.00 0.00 O ATOM 306 CB LEU A 18 14.469 5.263 1.141 1.00 0.00 C ATOM 307 CG LEU A 18 13.285 5.199 0.177 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.663 5.807 -1.165 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.817 3.761 0.000 1.00 0.00 C ATOM 0 H LEU A 18 12.672 5.967 2.927 1.00 0.00 H new ATOM 0 HA LEU A 18 14.300 3.565 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.752 6.307 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.318 4.758 0.680 1.00 0.00 H new ATOM 0 HG LEU A 18 12.463 5.777 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.810 5.754 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.951 6.849 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.499 5.254 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.973 3.735 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.633 3.160 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.509 3.357 0.965 1.00 0.00 H new ATOM 321 N ASP A 19 16.482 4.652 3.366 1.00 0.00 N ATOM 322 CA ASP A 19 17.564 5.066 4.247 1.00 0.00 C ATOM 323 C ASP A 19 18.453 6.090 3.548 1.00 0.00 C ATOM 324 O ASP A 19 18.179 6.490 2.416 1.00 0.00 O ATOM 325 CB ASP A 19 18.376 3.843 4.685 1.00 0.00 C ATOM 326 CG ASP A 19 19.037 3.134 3.519 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.015 3.684 2.397 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.579 2.028 3.728 1.00 0.00 O ATOM 0 H ASP A 19 16.746 3.962 2.662 1.00 0.00 H new ATOM 0 HA ASP A 19 17.142 5.536 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.141 4.155 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.721 3.145 5.206 1.00 0.00 H new ATOM 333 N ARG A 20 19.527 6.497 4.213 1.00 0.00 N ATOM 334 CA ARG A 20 20.460 7.464 3.636 1.00 0.00 C ATOM 335 C ARG A 20 21.223 6.854 2.455 1.00 0.00 C ATOM 336 O ARG A 20 22.009 7.529 1.793 1.00 0.00 O ATOM 337 CB ARG A 20 21.444 7.965 4.697 1.00 0.00 C ATOM 338 CG ARG A 20 22.013 6.867 5.581 1.00 0.00 C ATOM 339 CD ARG A 20 21.633 7.067 7.037 1.00 0.00 C ATOM 340 NE ARG A 20 20.286 6.576 7.329 1.00 0.00 N ATOM 341 CZ ARG A 20 19.315 7.315 7.869 1.00 0.00 C ATOM 342 NH1 ARG A 20 19.524 8.589 8.178 1.00 0.00 N ATOM 343 NH2 ARG A 20 18.127 6.775 8.100 1.00 0.00 N ATOM 0 H ARG A 20 19.775 6.176 5.149 1.00 0.00 H new ATOM 0 HA ARG A 20 19.879 8.310 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.266 8.480 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.941 8.700 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.648 5.898 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.099 6.850 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.352 6.550 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.693 8.127 7.284 1.00 0.00 H new ATOM 0 HE ARG A 20 20.075 5.604 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.435 9.013 8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.774 9.143 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.957 5.797 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.383 7.337 8.513 1.00 0.00 H new ATOM 357 N ASN A 21 20.986 5.566 2.210 1.00 0.00 N ATOM 358 CA ASN A 21 21.633 4.848 1.137 1.00 0.00 C ATOM 359 C ASN A 21 20.707 4.726 -0.070 1.00 0.00 C ATOM 360 O ASN A 21 21.134 4.333 -1.156 1.00 0.00 O ATOM 361 CB ASN A 21 22.005 3.459 1.637 1.00 0.00 C ATOM 362 CG ASN A 21 23.200 3.471 2.564 1.00 0.00 C ATOM 363 OD1 ASN A 21 24.219 4.100 2.281 1.00 0.00 O ATOM 364 ND2 ASN A 21 23.074 2.774 3.686 1.00 0.00 N ATOM 0 H ASN A 21 20.337 4.999 2.756 1.00 0.00 H new ATOM 0 HA ASN A 21 22.525 5.393 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.152 3.024 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.219 2.816 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.842 2.744 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.209 2.268 3.878 1.00 0.00 H new ATOM 371 N GLY A 22 19.435 5.051 0.132 1.00 0.00 N ATOM 372 CA GLY A 22 18.463 4.955 -0.935 1.00 0.00 C ATOM 373 C GLY A 22 17.833 3.576 -0.989 1.00 0.00 C ATOM 374 O GLY A 22 17.174 3.216 -1.965 1.00 0.00 O ATOM 0 H GLY A 22 19.061 5.381 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.686 5.706 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.944 5.174 -1.888 1.00 0.00 H new ATOM 378 N ALA A 23 18.055 2.810 0.072 1.00 0.00 N ATOM 379 CA ALA A 23 17.537 1.469 0.190 1.00 0.00 C ATOM 380 C ALA A 23 16.239 1.479 0.975 1.00 0.00 C ATOM 381 O ALA A 23 16.080 2.232 1.934 1.00 0.00 O ATOM 382 CB ALA A 23 18.569 0.579 0.867 1.00 0.00 C ATOM 0 H ALA A 23 18.605 3.112 0.876 1.00 0.00 H new ATOM 0 HA ALA A 23 17.332 1.072 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.175 -0.433 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.482 0.563 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.791 0.969 1.860 1.00 0.00 H new ATOM 388 N VAL A 24 15.310 0.650 0.555 1.00 0.00 N ATOM 389 CA VAL A 24 14.012 0.569 1.201 1.00 0.00 C ATOM 390 C VAL A 24 14.098 -0.212 2.502 1.00 0.00 C ATOM 391 O VAL A 24 14.388 -1.408 2.502 1.00 0.00 O ATOM 392 CB VAL A 24 12.989 -0.081 0.262 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.585 -0.010 0.850 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.069 0.601 -1.099 1.00 0.00 C ATOM 0 H VAL A 24 15.427 0.017 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 24 13.686 1.583 1.432 1.00 0.00 H new ATOM 0 HB VAL A 24 13.221 -1.139 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.879 -0.478 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.564 -0.534 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.306 1.033 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.346 0.147 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.846 1.662 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.073 0.482 -1.507 1.00 0.00 H new ATOM 404 N LYS A 25 13.857 0.472 3.614 1.00 0.00 N ATOM 405 CA LYS A 25 13.926 -0.162 4.919 1.00 0.00 C ATOM 406 C LYS A 25 12.546 -0.527 5.445 1.00 0.00 C ATOM 407 O LYS A 25 12.421 -1.447 6.255 1.00 0.00 O ATOM 408 CB LYS A 25 14.631 0.751 5.926 1.00 0.00 C ATOM 409 CG LYS A 25 16.131 0.867 5.701 1.00 0.00 C ATOM 410 CD LYS A 25 16.876 -0.333 6.263 1.00 0.00 C ATOM 411 CE LYS A 25 16.891 -1.495 5.280 1.00 0.00 C ATOM 412 NZ LYS A 25 18.255 -2.075 5.125 1.00 0.00 N ATOM 0 H LYS A 25 13.613 1.462 3.636 1.00 0.00 H new ATOM 0 HA LYS A 25 14.499 -1.081 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.187 1.745 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.452 0.374 6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.334 0.954 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.501 1.778 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.900 -0.046 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.406 -0.650 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.204 -2.269 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.529 -1.154 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.222 -2.863 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.905 -1.343 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.591 -2.424 6.046 1.00 0.00 H new ATOM 426 N LEU A 26 11.504 0.179 5.004 1.00 0.00 N ATOM 427 CA LEU A 26 10.157 -0.136 5.500 1.00 0.00 C ATOM 428 C LEU A 26 9.054 0.373 4.576 1.00 0.00 C ATOM 429 O LEU A 26 9.296 1.204 3.721 1.00 0.00 O ATOM 430 CB LEU A 26 9.977 0.490 6.886 1.00 0.00 C ATOM 431 CG LEU A 26 10.022 -0.477 8.063 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.193 0.291 9.368 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.761 -1.321 8.106 1.00 0.00 C ATOM 0 H LEU A 26 11.556 0.944 4.331 1.00 0.00 H new ATOM 0 HA LEU A 26 10.070 -1.222 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.754 1.241 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.021 1.013 6.906 1.00 0.00 H new ATOM 0 HG LEU A 26 10.876 -1.142 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.224 -0.411 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.123 0.859 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.355 0.975 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.810 -2.006 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.892 -0.672 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.674 -1.892 7.182 1.00 0.00 H new ATOM 445 N TYR A 27 7.836 -0.141 4.747 1.00 0.00 N ATOM 446 CA TYR A 27 6.689 0.281 3.929 1.00 0.00 C ATOM 447 C TYR A 27 5.436 0.445 4.791 1.00 0.00 C ATOM 448 O TYR A 27 5.255 -0.261 5.784 1.00 0.00 O ATOM 449 CB TYR A 27 6.346 -0.754 2.849 1.00 0.00 C ATOM 450 CG TYR A 27 7.339 -0.885 1.722 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.478 0.100 0.761 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.101 -2.024 1.606 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.368 -0.047 -0.286 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.985 -2.195 0.568 1.00 0.00 C ATOM 455 CZ TYR A 27 9.122 -1.201 -0.380 1.00 0.00 C ATOM 456 OH TYR A 27 10.004 -1.363 -1.422 1.00 0.00 O ATOM 0 H TYR A 27 7.614 -0.851 5.444 1.00 0.00 H new ATOM 0 HA TYR A 27 6.979 1.226 3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.239 -1.727 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.375 -0.499 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.882 0.998 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.002 -2.802 2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.473 0.734 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.569 -3.101 0.494 1.00 0.00 H new ATOM 0 HH TYR A 27 10.455 -2.229 -1.338 1.00 0.00 H new ATOM 466 N ARG A 28 4.556 1.346 4.368 1.00 0.00 N ATOM 467 CA ARG A 28 3.289 1.589 5.045 1.00 0.00 C ATOM 468 C ARG A 28 2.170 0.991 4.221 1.00 0.00 C ATOM 469 O ARG A 28 2.123 1.210 2.997 1.00 0.00 O ATOM 470 CB ARG A 28 3.031 3.081 5.204 1.00 0.00 C ATOM 471 CG ARG A 28 1.714 3.409 5.884 1.00 0.00 C ATOM 472 CD ARG A 28 1.573 4.904 6.104 1.00 0.00 C ATOM 473 NE ARG A 28 0.245 5.400 5.753 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.156 6.651 5.974 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.664 7.525 6.544 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.378 7.028 5.627 1.00 0.00 N ATOM 0 H ARG A 28 4.702 1.929 3.544 1.00 0.00 H new ATOM 0 HA ARG A 28 3.332 1.132 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.845 3.521 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.047 3.549 4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.886 3.048 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.655 2.890 6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.779 5.135 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.321 5.427 5.509 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.411 4.753 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.605 7.240 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.353 8.482 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.013 6.360 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.684 7.986 5.797 1.00 0.00 H new ATOM 490 N ILE A 29 1.293 0.233 4.894 1.00 0.00 N ATOM 491 CA ILE A 29 0.164 -0.431 4.241 1.00 0.00 C ATOM 492 C ILE A 29 -1.169 -0.087 4.924 1.00 0.00 C ATOM 493 O ILE A 29 -1.388 -0.421 6.089 1.00 0.00 O ATOM 494 CB ILE A 29 0.373 -1.958 4.247 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.752 -2.279 3.641 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.756 -2.661 3.500 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.845 -3.605 2.918 1.00 0.00 C ATOM 0 H ILE A 29 1.348 0.066 5.899 1.00 0.00 H new ATOM 0 HA ILE A 29 0.118 -0.071 3.213 1.00 0.00 H new ATOM 0 HB ILE A 29 0.350 -2.329 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.019 -1.484 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.494 -2.266 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.588 -3.738 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.707 -2.435 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.780 -2.314 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.854 -3.737 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.615 -4.414 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.133 -3.620 2.093 1.00 0.00 H new ATOM 509 N ARG A 30 -2.062 0.566 4.177 1.00 0.00 N ATOM 510 CA ARG A 30 -3.375 0.956 4.693 1.00 0.00 C ATOM 511 C ARG A 30 -4.404 -0.149 4.485 1.00 0.00 C ATOM 512 O ARG A 30 -4.328 -0.904 3.516 1.00 0.00 O ATOM 513 CB ARG A 30 -3.858 2.234 4.002 1.00 0.00 C ATOM 514 CG ARG A 30 -3.209 3.505 4.527 1.00 0.00 C ATOM 515 CD ARG A 30 -4.131 4.258 5.472 1.00 0.00 C ATOM 516 NE ARG A 30 -5.232 4.904 4.762 1.00 0.00 N ATOM 517 CZ ARG A 30 -5.859 5.996 5.195 1.00 0.00 C ATOM 518 NH1 ARG A 30 -5.503 6.566 6.340 1.00 0.00 N ATOM 519 NH2 ARG A 30 -6.847 6.518 4.481 1.00 0.00 N ATOM 0 H ARG A 30 -1.898 0.837 3.207 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.269 1.134 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.662 2.153 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.938 2.314 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.283 3.254 5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.941 4.149 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.533 3.567 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.558 5.010 6.015 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.539 4.493 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.745 6.168 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.988 7.402 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.126 6.083 3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.328 7.354 4.811 1.00 0.00 H new ATOM 533 N TRP A 31 -5.364 -0.237 5.406 1.00 0.00 N ATOM 534 CA TRP A 31 -6.415 -1.245 5.326 1.00 0.00 C ATOM 535 C TRP A 31 -7.371 -1.174 6.515 1.00 0.00 C ATOM 536 O TRP A 31 -7.376 -2.064 7.365 1.00 0.00 O ATOM 537 CB TRP A 31 -5.844 -2.670 5.222 1.00 0.00 C ATOM 538 CG TRP A 31 -4.535 -2.889 5.927 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.806 -1.976 6.626 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.803 -4.115 5.993 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.650 -2.548 7.091 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.628 -3.866 6.721 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.027 -5.399 5.495 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.680 -4.854 6.965 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.088 -6.379 5.737 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.925 -6.102 6.466 1.00 0.00 C ATOM 0 H TRP A 31 -5.433 0.379 6.216 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.969 -1.021 4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.577 -3.368 5.626 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.716 -2.917 4.168 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.097 -0.949 6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.925 -2.070 7.625 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.920 -5.621 4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.783 -4.642 7.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.252 -7.377 5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.207 -6.891 6.637 1.00 0.00 H new ATOM 557 N LEU A 32 -8.210 -0.137 6.555 1.00 0.00 N ATOM 558 CA LEU A 32 -9.188 0.002 7.634 1.00 0.00 C ATOM 559 C LEU A 32 -9.936 -1.314 7.832 1.00 0.00 C ATOM 560 O LEU A 32 -10.271 -1.691 8.955 1.00 0.00 O ATOM 561 CB LEU A 32 -10.160 1.163 7.347 1.00 0.00 C ATOM 562 CG LEU A 32 -11.366 0.863 6.435 1.00 0.00 C ATOM 563 CD1 LEU A 32 -10.930 0.283 5.097 1.00 0.00 C ATOM 564 CD2 LEU A 32 -12.361 -0.058 7.128 1.00 0.00 C ATOM 0 H LEU A 32 -8.232 0.610 5.861 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.662 0.239 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.540 1.529 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.591 1.977 6.898 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.864 1.812 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.808 0.085 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.282 0.995 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.387 -0.647 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.201 -0.253 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.872 -0.999 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.723 0.418 8.039 1.00 0.00 H new ATOM 576 N ASN A 33 -10.178 -1.995 6.713 1.00 0.00 N ATOM 577 CA ASN A 33 -10.873 -3.285 6.705 1.00 0.00 C ATOM 578 C ASN A 33 -10.619 -4.042 8.009 1.00 0.00 C ATOM 579 O ASN A 33 -11.530 -4.631 8.589 1.00 0.00 O ATOM 580 CB ASN A 33 -10.408 -4.133 5.520 1.00 0.00 C ATOM 581 CG ASN A 33 -11.139 -3.811 4.244 1.00 0.00 C ATOM 582 OD1 ASN A 33 -11.224 -2.654 3.830 1.00 0.00 O ATOM 583 ND2 ASN A 33 -11.667 -4.844 3.613 1.00 0.00 N ATOM 0 H ASN A 33 -9.899 -1.670 5.787 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.942 -3.094 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.339 -3.981 5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.549 -5.187 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.174 -4.703 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.568 -5.783 3.999 1.00 0.00 H new ATOM 590 N TYR A 34 -9.371 -3.997 8.468 1.00 0.00 N ATOM 591 CA TYR A 34 -8.976 -4.651 9.710 1.00 0.00 C ATOM 592 C TYR A 34 -9.597 -3.944 10.910 1.00 0.00 C ATOM 593 O TYR A 34 -10.526 -4.452 11.538 1.00 0.00 O ATOM 594 CB TYR A 34 -7.451 -4.636 9.862 1.00 0.00 C ATOM 595 CG TYR A 34 -6.748 -5.802 9.201 1.00 0.00 C ATOM 596 CD1 TYR A 34 -7.044 -6.175 7.894 1.00 0.00 C ATOM 597 CD2 TYR A 34 -5.783 -6.528 9.887 1.00 0.00 C ATOM 598 CE1 TYR A 34 -6.398 -7.239 7.293 1.00 0.00 C ATOM 599 CE2 TYR A 34 -5.131 -7.591 9.291 1.00 0.00 C ATOM 600 CZ TYR A 34 -5.442 -7.943 7.994 1.00 0.00 C ATOM 601 OH TYR A 34 -4.794 -9.001 7.397 1.00 0.00 O ATOM 0 H TYR A 34 -8.611 -3.510 7.993 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.330 -5.681 9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.065 -3.708 9.441 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.203 -4.632 10.923 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.790 -5.625 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.538 -6.257 10.903 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.641 -7.518 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.382 -8.143 9.838 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.142 -8.662 6.749 1.00 0.00 H new ATOM 611 N SER A 35 -9.061 -2.767 11.223 1.00 0.00 N ATOM 612 CA SER A 35 -9.533 -1.977 12.353 1.00 0.00 C ATOM 613 C SER A 35 -10.356 -0.769 11.887 1.00 0.00 C ATOM 614 O SER A 35 -11.577 -0.856 11.769 1.00 0.00 O ATOM 615 CB SER A 35 -8.329 -1.537 13.193 1.00 0.00 C ATOM 616 OG SER A 35 -8.497 -0.228 13.714 1.00 0.00 O ATOM 0 H SER A 35 -8.294 -2.338 10.705 1.00 0.00 H new ATOM 0 HA SER A 35 -10.194 -2.591 12.965 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.184 -2.239 14.014 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.428 -1.571 12.581 1.00 0.00 H new ATOM 0 HG SER A 35 -7.710 0.016 14.245 1.00 0.00 H new ATOM 622 N SER A 36 -9.689 0.355 11.625 1.00 0.00 N ATOM 623 CA SER A 36 -10.381 1.562 11.187 1.00 0.00 C ATOM 624 C SER A 36 -9.427 2.505 10.438 1.00 0.00 C ATOM 625 O SER A 36 -8.722 2.077 9.526 1.00 0.00 O ATOM 626 CB SER A 36 -11.014 2.260 12.396 1.00 0.00 C ATOM 627 OG SER A 36 -11.913 1.396 13.070 1.00 0.00 O ATOM 0 H SER A 36 -8.677 0.453 11.708 1.00 0.00 H new ATOM 0 HA SER A 36 -11.171 1.282 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.232 2.585 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.542 3.155 12.068 1.00 0.00 H new ATOM 0 HG SER A 36 -12.171 0.663 12.473 1.00 0.00 H new ATOM 633 N ARG A 37 -9.394 3.782 10.818 1.00 0.00 N ATOM 634 CA ARG A 37 -8.513 4.742 10.159 1.00 0.00 C ATOM 635 C ARG A 37 -7.131 4.736 10.803 1.00 0.00 C ATOM 636 O ARG A 37 -6.749 5.685 11.488 1.00 0.00 O ATOM 637 CB ARG A 37 -9.104 6.162 10.193 1.00 0.00 C ATOM 638 CG ARG A 37 -10.226 6.360 11.205 1.00 0.00 C ATOM 639 CD ARG A 37 -10.589 7.829 11.360 1.00 0.00 C ATOM 640 NE ARG A 37 -10.957 8.442 10.086 1.00 0.00 N ATOM 641 CZ ARG A 37 -11.675 9.557 9.978 1.00 0.00 C ATOM 642 NH1 ARG A 37 -12.105 10.186 11.066 1.00 0.00 N ATOM 643 NH2 ARG A 37 -11.963 10.045 8.780 1.00 0.00 N ATOM 0 H ARG A 37 -9.961 4.172 11.571 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.419 4.438 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.304 6.869 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.481 6.408 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.105 5.799 10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.921 5.956 12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.418 7.925 12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.744 8.367 11.790 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.645 7.988 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.885 9.815 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.655 11.040 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.634 9.566 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.513 10.900 8.696 1.00 0.00 H new ATOM 657 N SER A 38 -6.384 3.659 10.579 1.00 0.00 N ATOM 658 CA SER A 38 -5.043 3.538 11.139 1.00 0.00 C ATOM 659 C SER A 38 -4.261 2.402 10.487 1.00 0.00 C ATOM 660 O SER A 38 -4.306 1.260 10.947 1.00 0.00 O ATOM 661 CB SER A 38 -5.111 3.318 12.652 1.00 0.00 C ATOM 662 OG SER A 38 -3.861 3.591 13.263 1.00 0.00 O ATOM 0 H SER A 38 -6.683 2.862 10.017 1.00 0.00 H new ATOM 0 HA SER A 38 -4.520 4.472 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.878 3.962 13.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.404 2.289 12.860 1.00 0.00 H new ATOM 0 HG SER A 38 -3.930 3.445 14.230 1.00 0.00 H new ATOM 668 N ASP A 39 -3.527 2.727 9.428 1.00 0.00 N ATOM 669 CA ASP A 39 -2.709 1.741 8.729 1.00 0.00 C ATOM 670 C ASP A 39 -1.633 1.224 9.669 1.00 0.00 C ATOM 671 O ASP A 39 -1.541 1.681 10.809 1.00 0.00 O ATOM 672 CB ASP A 39 -2.056 2.379 7.502 1.00 0.00 C ATOM 673 CG ASP A 39 -1.281 3.634 7.857 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.916 4.697 8.020 1.00 0.00 O ATOM 675 OD2 ASP A 39 -0.041 3.552 7.973 1.00 0.00 O ATOM 0 H ASP A 39 -3.482 3.667 9.034 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.341 0.914 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.385 1.659 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.824 2.623 6.768 1.00 0.00 H new ATOM 680 N THR A 40 -0.789 0.310 9.204 1.00 0.00 N ATOM 681 CA THR A 40 0.289 -0.200 10.029 1.00 0.00 C ATOM 682 C THR A 40 1.560 -0.269 9.194 1.00 0.00 C ATOM 683 O THR A 40 1.510 -0.197 7.961 1.00 0.00 O ATOM 684 CB THR A 40 -0.042 -1.581 10.615 1.00 0.00 C ATOM 685 OG1 THR A 40 1.112 -2.405 10.654 1.00 0.00 O ATOM 686 CG2 THR A 40 -1.111 -2.334 9.854 1.00 0.00 C ATOM 0 H THR A 40 -0.833 -0.088 8.266 1.00 0.00 H new ATOM 0 HA THR A 40 0.431 0.478 10.871 1.00 0.00 H new ATOM 0 HB THR A 40 -0.419 -1.371 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.878 -3.278 11.032 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.286 -3.298 10.331 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.035 -1.755 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.783 -2.492 8.826 1.00 0.00 H new ATOM 694 N TRP A 41 2.695 -0.396 9.861 1.00 0.00 N ATOM 695 CA TRP A 41 3.970 -0.450 9.174 1.00 0.00 C ATOM 696 C TRP A 41 4.541 -1.870 9.157 1.00 0.00 C ATOM 697 O TRP A 41 4.609 -2.553 10.180 1.00 0.00 O ATOM 698 CB TRP A 41 4.950 0.536 9.818 1.00 0.00 C ATOM 699 CG TRP A 41 4.525 1.975 9.667 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.688 2.703 10.488 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.913 2.864 8.612 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.558 3.985 9.992 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.295 4.099 8.854 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.727 2.739 7.487 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.462 5.201 8.019 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.892 3.836 6.656 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.262 5.051 6.927 1.00 0.00 C ATOM 0 H TRP A 41 2.757 -0.463 10.877 1.00 0.00 H new ATOM 0 HA TRP A 41 3.814 -0.160 8.135 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.048 0.302 10.878 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.935 0.405 9.370 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.209 2.328 11.380 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.999 4.728 10.412 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.220 1.804 7.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.974 6.141 8.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.520 3.749 5.782 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.411 5.887 6.259 1.00 0.00 H new ATOM 718 N GLU A 42 4.967 -2.277 7.972 1.00 0.00 N ATOM 719 CA GLU A 42 5.557 -3.580 7.735 1.00 0.00 C ATOM 720 C GLU A 42 6.843 -3.428 6.932 1.00 0.00 C ATOM 721 O GLU A 42 7.073 -2.388 6.332 1.00 0.00 O ATOM 722 CB GLU A 42 4.588 -4.482 6.966 1.00 0.00 C ATOM 723 CG GLU A 42 3.146 -3.993 6.921 1.00 0.00 C ATOM 724 CD GLU A 42 2.153 -5.136 6.937 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.133 -5.918 5.964 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.400 -5.254 7.926 1.00 0.00 O ATOM 0 H GLU A 42 4.910 -1.698 7.134 1.00 0.00 H new ATOM 0 HA GLU A 42 5.775 -4.036 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.951 -4.590 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.605 -5.474 7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.959 -3.340 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.995 -3.395 6.022 1.00 0.00 H new ATOM 733 N PRO A 43 7.685 -4.468 6.885 1.00 0.00 N ATOM 734 CA PRO A 43 8.929 -4.433 6.122 1.00 0.00 C ATOM 735 C PRO A 43 8.706 -4.690 4.632 1.00 0.00 C ATOM 736 O PRO A 43 7.625 -5.112 4.223 1.00 0.00 O ATOM 737 CB PRO A 43 9.774 -5.550 6.737 1.00 0.00 C ATOM 738 CG PRO A 43 8.845 -6.403 7.548 1.00 0.00 C ATOM 739 CD PRO A 43 7.480 -5.758 7.546 1.00 0.00 C ATOM 0 HA PRO A 43 9.403 -3.453 6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.260 -6.140 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.564 -5.136 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.790 -7.408 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.216 -6.503 8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.754 -6.368 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.101 -5.629 8.560 1.00 0.00 H new ATOM 747 N PRO A 44 9.751 -4.497 3.804 1.00 0.00 N ATOM 748 CA PRO A 44 9.676 -4.732 2.359 1.00 0.00 C ATOM 749 C PRO A 44 9.830 -6.199 2.024 1.00 0.00 C ATOM 750 O PRO A 44 9.121 -6.749 1.182 1.00 0.00 O ATOM 751 CB PRO A 44 10.860 -3.934 1.849 1.00 0.00 C ATOM 752 CG PRO A 44 11.868 -4.068 2.892 1.00 0.00 C ATOM 753 CD PRO A 44 11.112 -4.083 4.205 1.00 0.00 C ATOM 0 HA PRO A 44 8.721 -4.442 1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.220 -4.323 0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.594 -2.890 1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.443 -4.985 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.576 -3.240 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.553 -4.782 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.111 -3.102 4.681 1.00 0.00 H new ATOM 761 N GLU A 45 10.785 -6.812 2.684 1.00 0.00 N ATOM 762 CA GLU A 45 11.064 -8.231 2.485 1.00 0.00 C ATOM 763 C GLU A 45 9.811 -9.054 2.780 1.00 0.00 C ATOM 764 O GLU A 45 9.601 -10.119 2.200 1.00 0.00 O ATOM 765 CB GLU A 45 12.222 -8.686 3.375 1.00 0.00 C ATOM 766 CG GLU A 45 13.567 -8.669 2.668 1.00 0.00 C ATOM 767 CD GLU A 45 14.481 -9.790 3.123 1.00 0.00 C ATOM 768 OE1 GLU A 45 15.156 -9.622 4.160 1.00 0.00 O ATOM 769 OE2 GLU A 45 14.524 -10.836 2.439 1.00 0.00 O ATOM 0 H GLU A 45 11.389 -6.355 3.368 1.00 0.00 H new ATOM 0 HA GLU A 45 11.354 -8.386 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.272 -8.041 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.021 -9.696 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.409 -8.749 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.056 -7.711 2.848 1.00 0.00 H new ATOM 776 N ASN A 46 8.967 -8.533 3.670 1.00 0.00 N ATOM 777 CA ASN A 46 7.715 -9.194 4.021 1.00 0.00 C ATOM 778 C ASN A 46 6.817 -9.257 2.794 1.00 0.00 C ATOM 779 O ASN A 46 6.078 -10.221 2.586 1.00 0.00 O ATOM 780 CB ASN A 46 6.997 -8.420 5.133 1.00 0.00 C ATOM 781 CG ASN A 46 7.086 -9.085 6.489 1.00 0.00 C ATOM 782 OD1 ASN A 46 7.877 -10.004 6.697 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.260 -8.616 7.422 1.00 0.00 N ATOM 0 H ASN A 46 9.130 -7.654 4.161 1.00 0.00 H new ATOM 0 HA ASN A 46 7.935 -10.201 4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.422 -7.419 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.947 -8.303 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.265 -9.021 8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.622 -7.852 7.201 1.00 0.00 H new ATOM 790 N LEU A 47 6.876 -8.191 2.005 1.00 0.00 N ATOM 791 CA LEU A 47 6.068 -8.074 0.801 1.00 0.00 C ATOM 792 C LEU A 47 6.355 -9.194 -0.195 1.00 0.00 C ATOM 793 O LEU A 47 5.592 -9.394 -1.137 1.00 0.00 O ATOM 794 CB LEU A 47 6.268 -6.719 0.130 1.00 0.00 C ATOM 795 CG LEU A 47 6.556 -5.547 1.067 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.690 -4.274 0.270 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.474 -5.385 2.116 1.00 0.00 C ATOM 0 H LEU A 47 7.481 -7.389 2.181 1.00 0.00 H new ATOM 0 HA LEU A 47 5.028 -8.162 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.092 -6.804 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.374 -6.486 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 47 7.492 -5.759 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.895 -3.443 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.509 -4.375 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.762 -4.083 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.717 -4.541 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.517 -5.204 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.409 -6.293 2.715 1.00 0.00 H new ATOM 809 N SER A 48 7.441 -9.945 0.001 1.00 0.00 N ATOM 810 CA SER A 48 7.739 -11.053 -0.906 1.00 0.00 C ATOM 811 C SER A 48 6.486 -11.919 -1.020 1.00 0.00 C ATOM 812 O SER A 48 6.193 -12.510 -2.060 1.00 0.00 O ATOM 813 CB SER A 48 8.912 -11.883 -0.381 1.00 0.00 C ATOM 814 OG SER A 48 8.513 -12.694 0.711 1.00 0.00 O ATOM 0 H SER A 48 8.112 -9.812 0.758 1.00 0.00 H new ATOM 0 HA SER A 48 8.022 -10.665 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.304 -12.511 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.720 -11.221 -0.070 1.00 0.00 H new ATOM 0 HG SER A 48 8.649 -12.204 1.549 1.00 0.00 H new ATOM 820 N GLY A 49 5.750 -11.941 0.087 1.00 0.00 N ATOM 821 CA GLY A 49 4.512 -12.680 0.165 1.00 0.00 C ATOM 822 C GLY A 49 3.326 -11.859 -0.313 1.00 0.00 C ATOM 823 O GLY A 49 2.206 -12.052 0.161 1.00 0.00 O ATOM 0 H GLY A 49 6.000 -11.448 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.592 -13.585 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.343 -12.996 1.194 1.00 0.00 H new ATOM 827 N CYS A 50 3.557 -10.956 -1.273 1.00 0.00 N ATOM 828 CA CYS A 50 2.476 -10.141 -1.807 1.00 0.00 C ATOM 829 C CYS A 50 2.342 -10.347 -3.311 1.00 0.00 C ATOM 830 O CYS A 50 1.382 -10.972 -3.761 1.00 0.00 O ATOM 831 CB CYS A 50 2.713 -8.669 -1.460 1.00 0.00 C ATOM 832 SG CYS A 50 1.590 -8.032 -0.195 1.00 0.00 S ATOM 0 H CYS A 50 4.472 -10.777 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 50 1.536 -10.450 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.740 -8.546 -1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.605 -8.070 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 50 1.863 -6.782 0.038 1.00 0.00 H new ATOM 838 N SER A 51 3.295 -9.848 -4.096 1.00 0.00 N ATOM 839 CA SER A 51 3.298 -9.994 -5.560 1.00 0.00 C ATOM 840 C SER A 51 2.430 -8.944 -6.261 1.00 0.00 C ATOM 841 O SER A 51 2.944 -8.091 -6.999 1.00 0.00 O ATOM 842 CB SER A 51 2.862 -11.408 -5.968 1.00 0.00 C ATOM 843 OG SER A 51 1.588 -11.405 -6.593 1.00 0.00 O ATOM 0 H SER A 51 4.095 -9.327 -3.737 1.00 0.00 H new ATOM 0 HA SER A 51 4.325 -9.829 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.600 -11.834 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.833 -12.048 -5.086 1.00 0.00 H new ATOM 0 HG SER A 51 1.343 -12.321 -6.841 1.00 0.00 H new ATOM 849 N ALA A 52 1.129 -8.978 -6.016 1.00 0.00 N ATOM 850 CA ALA A 52 0.233 -8.014 -6.630 1.00 0.00 C ATOM 851 C ALA A 52 0.437 -6.649 -6.008 1.00 0.00 C ATOM 852 O ALA A 52 0.384 -5.620 -6.684 1.00 0.00 O ATOM 853 CB ALA A 52 -1.213 -8.460 -6.483 1.00 0.00 C ATOM 0 H ALA A 52 0.675 -9.655 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 52 0.461 -7.951 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.870 -7.725 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.347 -9.426 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.461 -8.549 -5.425 1.00 0.00 H new ATOM 859 N VAL A 53 0.660 -6.658 -4.706 1.00 0.00 N ATOM 860 CA VAL A 53 0.860 -5.433 -3.965 1.00 0.00 C ATOM 861 C VAL A 53 2.155 -4.731 -4.355 1.00 0.00 C ATOM 862 O VAL A 53 2.191 -3.494 -4.472 1.00 0.00 O ATOM 863 CB VAL A 53 0.863 -5.694 -2.442 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.341 -4.470 -1.674 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.516 -6.124 -1.966 1.00 0.00 C ATOM 0 H VAL A 53 0.707 -7.506 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 53 0.024 -4.782 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 53 1.563 -6.506 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.332 -4.685 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.355 -4.218 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.679 -3.629 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.491 -6.302 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.238 -5.338 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.809 -7.040 -2.479 1.00 0.00 H new ATOM 875 N LEU A 54 3.216 -5.494 -4.609 1.00 0.00 N ATOM 876 CA LEU A 54 4.466 -4.893 -5.014 1.00 0.00 C ATOM 877 C LEU A 54 4.309 -4.328 -6.397 1.00 0.00 C ATOM 878 O LEU A 54 4.817 -3.257 -6.699 1.00 0.00 O ATOM 879 CB LEU A 54 5.599 -5.926 -5.022 1.00 0.00 C ATOM 880 CG LEU A 54 5.973 -6.514 -3.664 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.196 -7.408 -3.794 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.225 -5.402 -2.654 1.00 0.00 C ATOM 0 H LEU A 54 3.228 -6.512 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 54 4.720 -4.107 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.315 -6.743 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.486 -5.461 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 54 5.141 -7.120 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.451 -7.820 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.980 -8.222 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.035 -6.824 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.490 -5.838 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.042 -4.771 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.323 -4.800 -2.543 1.00 0.00 H new ATOM 894 N ALA A 55 3.615 -5.075 -7.244 1.00 0.00 N ATOM 895 CA ALA A 55 3.408 -4.656 -8.615 1.00 0.00 C ATOM 896 C ALA A 55 2.620 -3.353 -8.732 1.00 0.00 C ATOM 897 O ALA A 55 2.963 -2.516 -9.580 1.00 0.00 O ATOM 898 CB ALA A 55 2.724 -5.759 -9.407 1.00 0.00 C ATOM 0 H ALA A 55 3.189 -5.970 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 55 4.395 -4.462 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.575 -5.430 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.348 -6.653 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.758 -5.986 -8.955 1.00 0.00 H new ATOM 904 N GLU A 56 1.571 -3.134 -7.914 1.00 0.00 N ATOM 905 CA GLU A 56 0.843 -1.895 -8.067 1.00 0.00 C ATOM 906 C GLU A 56 1.695 -0.786 -7.493 1.00 0.00 C ATOM 907 O GLU A 56 1.714 0.329 -8.016 1.00 0.00 O ATOM 908 CB GLU A 56 -0.520 -1.907 -7.368 1.00 0.00 C ATOM 909 CG GLU A 56 -0.574 -1.011 -6.147 1.00 0.00 C ATOM 910 CD GLU A 56 -1.991 -0.710 -5.693 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.936 -1.030 -6.445 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.154 -0.155 -4.587 1.00 0.00 O ATOM 0 H GLU A 56 1.236 -3.767 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 56 0.643 -1.747 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.287 -1.592 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.760 -2.928 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.030 -1.486 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.063 -0.074 -6.368 1.00 0.00 H new ATOM 919 N TRP A 57 2.438 -1.099 -6.423 1.00 0.00 N ATOM 920 CA TRP A 57 3.286 -0.090 -5.835 1.00 0.00 C ATOM 921 C TRP A 57 4.280 0.395 -6.868 1.00 0.00 C ATOM 922 O TRP A 57 4.266 1.570 -7.203 1.00 0.00 O ATOM 923 CB TRP A 57 3.996 -0.590 -4.575 1.00 0.00 C ATOM 924 CG TRP A 57 4.544 0.541 -3.757 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.812 0.665 -3.286 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.846 1.729 -3.353 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.947 1.848 -2.619 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.759 2.523 -2.650 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.541 2.198 -3.523 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.414 3.762 -2.117 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.200 3.426 -2.995 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.136 4.196 -2.302 1.00 0.00 C ATOM 0 H TRP A 57 2.462 -2.013 -5.970 1.00 0.00 H new ATOM 0 HA TRP A 57 2.657 0.743 -5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.298 -1.170 -3.971 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.808 -1.261 -4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.597 -0.065 -3.420 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.801 2.177 -2.168 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.811 1.609 -4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.134 4.358 -1.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.194 3.797 -3.120 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.841 5.156 -1.904 1.00 0.00 H new ATOM 943 N LYS A 58 5.133 -0.487 -7.400 1.00 0.00 N ATOM 944 CA LYS A 58 6.103 -0.068 -8.415 1.00 0.00 C ATOM 945 C LYS A 58 5.428 0.747 -9.507 1.00 0.00 C ATOM 946 O LYS A 58 5.783 1.900 -9.746 1.00 0.00 O ATOM 947 CB LYS A 58 6.837 -1.254 -9.060 1.00 0.00 C ATOM 948 CG LYS A 58 6.193 -2.589 -8.826 1.00 0.00 C ATOM 949 CD LYS A 58 6.422 -3.529 -10.000 1.00 0.00 C ATOM 950 CE LYS A 58 6.729 -4.939 -9.531 1.00 0.00 C ATOM 951 NZ LYS A 58 6.004 -5.960 -10.335 1.00 0.00 N ATOM 0 H LYS A 58 5.172 -1.475 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 58 6.839 0.543 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.905 -1.081 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.857 -1.285 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.596 -3.035 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.123 -2.456 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.537 -3.541 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.247 -3.159 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.802 -5.119 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.454 -5.041 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.559 -6.652 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.271 -5.495 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.675 -6.448 -10.962 1.00 0.00 H new ATOM 965 N ARG A 59 4.447 0.140 -10.175 1.00 0.00 N ATOM 966 CA ARG A 59 3.730 0.826 -11.243 1.00 0.00 C ATOM 967 C ARG A 59 3.323 2.230 -10.796 1.00 0.00 C ATOM 968 O ARG A 59 3.226 3.151 -11.606 1.00 0.00 O ATOM 969 CB ARG A 59 2.506 0.011 -11.661 1.00 0.00 C ATOM 970 CG ARG A 59 2.869 -1.257 -12.420 1.00 0.00 C ATOM 971 CD ARG A 59 1.762 -1.693 -13.365 1.00 0.00 C ATOM 972 NE ARG A 59 2.247 -1.865 -14.733 1.00 0.00 N ATOM 973 CZ ARG A 59 3.204 -2.724 -15.081 1.00 0.00 C ATOM 974 NH1 ARG A 59 3.767 -3.512 -14.171 1.00 0.00 N ATOM 975 NH2 ARG A 59 3.595 -2.802 -16.345 1.00 0.00 N ATOM 0 H ARG A 59 4.135 -0.815 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 59 4.390 0.924 -12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.932 -0.255 -10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.860 0.629 -12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.785 -1.090 -12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.075 -2.058 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.332 -2.630 -13.012 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.963 -0.952 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 59 1.827 -1.293 -15.466 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.467 -3.462 -13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.499 -4.167 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.163 -2.205 -17.050 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.328 -3.459 -16.613 1.00 0.00 H new ATOM 989 N ARG A 60 3.096 2.377 -9.493 1.00 0.00 N ATOM 990 CA ARG A 60 2.703 3.656 -8.905 1.00 0.00 C ATOM 991 C ARG A 60 3.905 4.396 -8.309 1.00 0.00 C ATOM 992 O ARG A 60 3.901 5.620 -8.186 1.00 0.00 O ATOM 993 CB ARG A 60 1.650 3.414 -7.824 1.00 0.00 C ATOM 994 CG ARG A 60 0.229 3.380 -8.366 1.00 0.00 C ATOM 995 CD ARG A 60 -0.736 4.133 -7.467 1.00 0.00 C ATOM 996 NE ARG A 60 -1.974 3.386 -7.251 1.00 0.00 N ATOM 997 CZ ARG A 60 -3.194 3.916 -7.334 1.00 0.00 C ATOM 998 NH1 ARG A 60 -3.356 5.205 -7.611 1.00 0.00 N ATOM 999 NH2 ARG A 60 -4.260 3.152 -7.134 1.00 0.00 N ATOM 0 H ARG A 60 3.179 1.617 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 60 2.288 4.282 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.863 2.470 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.726 4.198 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.211 3.816 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.098 2.345 -8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.259 4.331 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.968 5.100 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.899 2.395 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.542 5.800 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.295 5.599 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.145 2.162 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.195 3.555 -7.197 1.00 0.00 H new ATOM 1013 N LYS A 61 4.915 3.634 -7.911 1.00 0.00 N ATOM 1014 CA LYS A 61 6.126 4.181 -7.301 1.00 0.00 C ATOM 1015 C LYS A 61 6.722 5.316 -8.102 1.00 0.00 C ATOM 1016 O LYS A 61 7.474 6.129 -7.566 1.00 0.00 O ATOM 1017 CB LYS A 61 7.204 3.095 -7.181 1.00 0.00 C ATOM 1018 CG LYS A 61 7.175 2.319 -5.882 1.00 0.00 C ATOM 1019 CD LYS A 61 8.285 2.761 -4.943 1.00 0.00 C ATOM 1020 CE LYS A 61 9.654 2.344 -5.461 1.00 0.00 C ATOM 1021 NZ LYS A 61 10.758 3.039 -4.742 1.00 0.00 N ATOM 0 H LYS A 61 4.921 2.618 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 61 5.824 4.554 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.090 2.396 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.184 3.561 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.209 2.458 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.277 1.254 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.254 3.844 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.121 2.329 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.771 1.266 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.721 2.563 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.673 2.727 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.662 4.067 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.711 2.810 -3.729 1.00 0.00 H new ATOM 1035 N ARG A 62 6.479 5.308 -9.397 1.00 0.00 N ATOM 1036 CA ARG A 62 7.092 6.286 -10.282 1.00 0.00 C ATOM 1037 C ARG A 62 7.204 7.677 -9.696 1.00 0.00 C ATOM 1038 O ARG A 62 8.307 8.220 -9.625 1.00 0.00 O ATOM 1039 CB ARG A 62 6.320 6.347 -11.601 1.00 0.00 C ATOM 1040 CG ARG A 62 6.282 5.019 -12.343 1.00 0.00 C ATOM 1041 CD ARG A 62 5.374 5.080 -13.562 1.00 0.00 C ATOM 1042 NE ARG A 62 4.017 5.502 -13.217 1.00 0.00 N ATOM 1043 CZ ARG A 62 2.927 5.112 -13.872 1.00 0.00 C ATOM 1044 NH1 ARG A 62 3.020 4.288 -14.909 1.00 0.00 N ATOM 1045 NH2 ARG A 62 1.736 5.549 -13.488 1.00 0.00 N ATOM 0 H ARG A 62 5.864 4.639 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 62 8.114 5.942 -10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.299 6.672 -11.401 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.774 7.101 -12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.291 4.747 -12.654 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.934 4.236 -11.669 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.794 5.772 -14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.339 4.099 -14.036 1.00 0.00 H new ATOM 0 HE ARG A 62 3.899 6.134 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.933 3.948 -15.210 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.178 3.995 -15.405 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.657 6.182 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.898 5.252 -13.988 1.00 0.00 H new ATOM 1059 N ARG A 63 6.091 8.304 -9.380 1.00 0.00 N ATOM 1060 CA ARG A 63 6.162 9.697 -8.936 1.00 0.00 C ATOM 1061 C ARG A 63 4.829 10.340 -8.536 1.00 0.00 C ATOM 1062 O ARG A 63 4.776 11.569 -8.480 1.00 0.00 O ATOM 1063 CB ARG A 63 6.785 10.552 -10.035 1.00 0.00 C ATOM 1064 CG ARG A 63 7.418 11.835 -9.522 1.00 0.00 C ATOM 1065 CD ARG A 63 8.674 11.560 -8.714 1.00 0.00 C ATOM 1066 NE ARG A 63 9.227 12.783 -8.139 1.00 0.00 N ATOM 1067 CZ ARG A 63 9.861 13.714 -8.848 1.00 0.00 C ATOM 1068 NH1 ARG A 63 10.031 13.559 -10.156 1.00 0.00 N ATOM 1069 NH2 ARG A 63 10.326 14.801 -8.249 1.00 0.00 N ATOM 0 H ARG A 63 5.156 7.899 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 63 6.767 9.663 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.543 9.965 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.018 10.803 -10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.662 12.482 -10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.699 12.373 -8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.445 10.854 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.421 11.088 -9.352 1.00 0.00 H new ATOM 0 HE ARG A 63 9.121 12.933 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.675 12.724 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.517 14.275 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.198 14.924 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.812 15.514 -8.792 1.00 0.00 H new ATOM 1083 N LEU A 64 3.738 9.612 -8.275 1.00 0.00 N ATOM 1084 CA LEU A 64 2.487 10.288 -7.916 1.00 0.00 C ATOM 1085 C LEU A 64 2.599 11.083 -6.617 1.00 0.00 C ATOM 1086 O LEU A 64 3.684 11.233 -6.055 1.00 0.00 O ATOM 1087 CB LEU A 64 1.341 9.269 -7.802 1.00 0.00 C ATOM 1088 CG LEU A 64 1.532 8.102 -6.813 1.00 0.00 C ATOM 1089 CD1 LEU A 64 1.523 6.787 -7.564 1.00 0.00 C ATOM 1090 CD2 LEU A 64 2.817 8.227 -6.000 1.00 0.00 C ATOM 0 H LEU A 64 3.693 8.593 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 64 2.274 10.997 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.437 9.808 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.164 8.848 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 64 0.701 8.136 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.658 5.965 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.570 6.669 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.334 6.778 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.901 7.379 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.674 8.238 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.795 9.153 -5.425 1.00 0.00 H new ATOM 1102 N LYS A 65 1.453 11.571 -6.138 1.00 0.00 N ATOM 1103 CA LYS A 65 1.388 12.337 -4.898 1.00 0.00 C ATOM 1104 C LYS A 65 2.390 13.485 -4.903 1.00 0.00 C ATOM 1105 O LYS A 65 3.395 13.451 -4.194 1.00 0.00 O ATOM 1106 CB LYS A 65 1.633 11.426 -3.690 1.00 0.00 C ATOM 1107 CG LYS A 65 0.353 10.914 -3.044 1.00 0.00 C ATOM 1108 CD LYS A 65 -0.404 9.968 -3.966 1.00 0.00 C ATOM 1109 CE LYS A 65 -0.480 8.564 -3.388 1.00 0.00 C ATOM 1110 NZ LYS A 65 -1.205 7.629 -4.293 1.00 0.00 N ATOM 0 H LYS A 65 0.551 11.446 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 65 0.387 12.762 -4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.237 10.575 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.213 11.972 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.595 10.399 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.286 11.758 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.412 10.349 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.088 9.936 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.528 8.189 -3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.982 8.596 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.897 7.081 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.699 8.172 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.525 6.980 -4.739 1.00 0.00 H new ATOM 1124 N GLY A 66 2.103 14.500 -5.708 1.00 0.00 N ATOM 1125 CA GLY A 66 2.980 15.649 -5.789 1.00 0.00 C ATOM 1126 C GLY A 66 2.970 16.465 -4.516 1.00 0.00 C ATOM 1127 O GLY A 66 3.299 15.956 -3.445 1.00 0.00 O ATOM 0 H GLY A 66 1.278 14.547 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.996 15.314 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.675 16.279 -6.625 1.00 0.00 H new ATOM 1131 N SER A 67 2.588 17.734 -4.631 1.00 0.00 N ATOM 1132 CA SER A 67 2.536 18.630 -3.478 1.00 0.00 C ATOM 1133 C SER A 67 3.793 18.494 -2.623 1.00 0.00 C ATOM 1134 O SER A 67 3.778 17.847 -1.576 1.00 0.00 O ATOM 1135 CB SER A 67 1.297 18.338 -2.629 1.00 0.00 C ATOM 1136 OG SER A 67 1.005 19.422 -1.763 1.00 0.00 O ATOM 0 H SER A 67 2.309 18.166 -5.512 1.00 0.00 H new ATOM 0 HA SER A 67 2.479 19.653 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.443 18.148 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.459 17.433 -2.043 1.00 0.00 H new ATOM 0 HG SER A 67 0.208 19.211 -1.232 1.00 0.00 H new ATOM 1142 N ASN A 68 4.882 19.096 -3.087 1.00 0.00 N ATOM 1143 CA ASN A 68 6.151 19.034 -2.366 1.00 0.00 C ATOM 1144 C ASN A 68 6.031 19.691 -0.991 1.00 0.00 C ATOM 1145 O ASN A 68 5.712 19.023 -0.007 1.00 0.00 O ATOM 1146 CB ASN A 68 7.292 19.680 -3.173 1.00 0.00 C ATOM 1147 CG ASN A 68 6.817 20.761 -4.131 1.00 0.00 C ATOM 1148 OD1 ASN A 68 5.867 20.564 -4.889 1.00 0.00 O ATOM 1149 ND2 ASN A 68 7.483 21.910 -4.106 1.00 0.00 N ATOM 0 H ASN A 68 4.914 19.631 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 68 6.394 17.981 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.017 20.110 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.811 18.906 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.213 22.670 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.265 22.032 -3.462 1.00 0.00 H new ATOM 1156 N SER A 69 6.294 20.994 -0.923 1.00 0.00 N ATOM 1157 CA SER A 69 6.218 21.725 0.341 1.00 0.00 C ATOM 1158 C SER A 69 7.001 21.006 1.437 1.00 0.00 C ATOM 1159 O SER A 69 6.384 20.212 2.178 1.00 0.00 O ATOM 1160 CB SER A 69 4.761 21.900 0.772 1.00 0.00 C ATOM 1161 OG SER A 69 4.678 22.526 2.040 1.00 0.00 O ATOM 1162 OXT SER A 69 8.222 21.242 1.544 1.00 0.00 O ATOM 0 H SER A 69 6.561 21.565 -1.725 1.00 0.00 H new ATOM 0 HA SER A 69 6.663 22.708 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.228 22.497 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.270 20.928 0.810 1.00 0.00 H new ATOM 0 HG SER A 69 3.737 22.628 2.293 1.00 0.00 H new TER 1168 SER A 69