USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 TYR OH : rot -85:sc= 0.682 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -170:sc= 1.1 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.41) USER MOD Single : A 20 GLN : amide:sc= -5! C(o=-5!,f=-6.7!) USER MOD Single : A 23 THR OG1 : rot -123:sc= 0.378 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -50:sc= 0.159 USER MOD Single : A 39 MET CE :methyl 145:sc= -1.9! (180deg=-2.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 160:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 74:sc= -0.316 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.386 14.317 11.775 1.00 0.00 N ATOM 2 CA MET A 1 -16.251 13.278 10.716 1.00 0.00 C ATOM 3 C MET A 1 -15.360 12.130 11.180 1.00 0.00 C ATOM 4 O MET A 1 -14.240 12.352 11.646 1.00 0.00 O ATOM 5 CB MET A 1 -15.658 13.920 9.458 1.00 0.00 C ATOM 6 CG MET A 1 -16.682 14.631 8.588 1.00 0.00 C ATOM 7 SD MET A 1 -16.049 16.168 7.893 1.00 0.00 S ATOM 8 CE MET A 1 -16.853 16.166 6.294 1.00 0.00 C ATOM 0 H1 MET A 1 -16.997 15.085 11.432 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.808 13.893 12.626 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.447 14.699 12.008 1.00 0.00 H new ATOM 0 HA MET A 1 -17.238 12.870 10.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.889 14.634 9.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.166 13.149 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.988 13.969 7.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.572 14.843 9.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.562 17.058 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.553 15.278 5.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.934 16.161 6.431 1.00 0.00 H new ATOM 20 N VAL A 2 -15.863 10.905 11.044 1.00 0.00 N ATOM 21 CA VAL A 2 -15.114 9.713 11.444 1.00 0.00 C ATOM 22 C VAL A 2 -15.141 8.635 10.352 1.00 0.00 C ATOM 23 O VAL A 2 -15.068 7.440 10.648 1.00 0.00 O ATOM 24 CB VAL A 2 -15.659 9.117 12.765 1.00 0.00 C ATOM 25 CG1 VAL A 2 -15.296 10.004 13.947 1.00 0.00 C ATOM 26 CG2 VAL A 2 -17.167 8.906 12.692 1.00 0.00 C ATOM 0 H VAL A 2 -16.787 10.710 10.659 1.00 0.00 H new ATOM 0 HA VAL A 2 -14.083 10.032 11.598 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.191 8.143 12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.689 9.566 14.865 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.212 10.087 14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.727 10.995 13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -17.522 8.487 13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.660 9.861 12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.399 8.219 11.878 1.00 0.00 H new ATOM 36 N SER A 3 -15.241 9.062 9.090 1.00 0.00 N ATOM 37 CA SER A 3 -15.276 8.133 7.962 1.00 0.00 C ATOM 38 C SER A 3 -14.271 8.545 6.881 1.00 0.00 C ATOM 39 O SER A 3 -13.554 9.536 7.035 1.00 0.00 O ATOM 40 CB SER A 3 -16.694 8.070 7.382 1.00 0.00 C ATOM 41 OG SER A 3 -17.053 9.298 6.770 1.00 0.00 O ATOM 0 H SER A 3 -15.299 10.046 8.826 1.00 0.00 H new ATOM 0 HA SER A 3 -14.995 7.143 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.755 7.265 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.404 7.835 8.175 1.00 0.00 H new ATOM 0 HG SER A 3 -17.961 9.230 6.407 1.00 0.00 H new ATOM 47 N THR A 4 -14.220 7.779 5.791 1.00 0.00 N ATOM 48 CA THR A 4 -13.299 8.068 4.690 1.00 0.00 C ATOM 49 C THR A 4 -13.796 9.240 3.845 1.00 0.00 C ATOM 50 O THR A 4 -14.956 9.643 3.942 1.00 0.00 O ATOM 51 CB THR A 4 -13.125 6.832 3.808 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.373 6.417 3.280 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.515 5.656 4.541 1.00 0.00 C ATOM 0 H THR A 4 -14.804 6.955 5.646 1.00 0.00 H new ATOM 0 HA THR A 4 -12.337 8.342 5.123 1.00 0.00 H new ATOM 0 HB THR A 4 -12.442 7.133 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.273 5.539 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.419 4.812 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.530 5.933 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.156 5.376 5.377 1.00 0.00 H new ATOM 61 N TYR A 5 -12.906 9.779 3.012 1.00 0.00 N ATOM 62 CA TYR A 5 -13.246 10.904 2.143 1.00 0.00 C ATOM 63 C TYR A 5 -13.401 10.458 0.687 1.00 0.00 C ATOM 64 O TYR A 5 -14.292 10.930 -0.020 1.00 0.00 O ATOM 65 CB TYR A 5 -12.180 11.998 2.242 1.00 0.00 C ATOM 66 CG TYR A 5 -12.445 13.008 3.335 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.364 12.647 4.675 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.770 14.324 3.029 1.00 0.00 C ATOM 69 CE1 TYR A 5 -12.599 13.568 5.677 1.00 0.00 C ATOM 70 CE2 TYR A 5 -13.008 15.250 4.026 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.921 14.868 5.348 1.00 0.00 C ATOM 72 OH TYR A 5 -13.154 15.788 6.344 1.00 0.00 O ATOM 0 H TYR A 5 -11.943 9.454 2.921 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.202 11.304 2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.210 11.533 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.116 12.518 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.113 11.630 4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.838 14.628 1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -12.531 13.272 6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -13.261 16.269 3.771 1.00 0.00 H new ATOM 0 HH TYR A 5 -14.087 15.724 6.636 1.00 0.00 H new ATOM 82 N ASP A 6 -12.527 9.549 0.247 1.00 0.00 N ATOM 83 CA ASP A 6 -12.566 9.041 -1.126 1.00 0.00 C ATOM 84 C ASP A 6 -11.856 7.688 -1.238 1.00 0.00 C ATOM 85 O ASP A 6 -11.293 7.187 -0.260 1.00 0.00 O ATOM 86 CB ASP A 6 -11.928 10.055 -2.087 1.00 0.00 C ATOM 87 CG ASP A 6 -12.609 10.084 -3.445 1.00 0.00 C ATOM 88 OD1 ASP A 6 -13.833 10.331 -3.493 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.916 9.864 -4.461 1.00 0.00 O ATOM 0 H ASP A 6 -11.784 9.150 0.821 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.611 8.898 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.972 11.049 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.874 9.811 -2.219 1.00 0.00 H new ATOM 94 N GLU A 7 -11.888 7.104 -2.439 1.00 0.00 N ATOM 95 CA GLU A 7 -11.252 5.810 -2.692 1.00 0.00 C ATOM 96 C GLU A 7 -10.235 5.915 -3.828 1.00 0.00 C ATOM 97 O GLU A 7 -10.376 6.752 -4.723 1.00 0.00 O ATOM 98 CB GLU A 7 -12.310 4.751 -3.028 1.00 0.00 C ATOM 99 CG GLU A 7 -13.196 5.114 -4.215 1.00 0.00 C ATOM 100 CD GLU A 7 -14.650 4.729 -4.004 1.00 0.00 C ATOM 101 OE1 GLU A 7 -15.273 5.249 -3.053 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.166 3.909 -4.792 1.00 0.00 O ATOM 0 H GLU A 7 -12.349 7.509 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.726 5.509 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.809 3.806 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.940 4.591 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.132 6.187 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.819 4.617 -5.109 1.00 0.00 H new ATOM 109 N ILE A 8 -9.211 5.062 -3.783 1.00 0.00 N ATOM 110 CA ILE A 8 -8.166 5.060 -4.806 1.00 0.00 C ATOM 111 C ILE A 8 -7.867 3.641 -5.290 1.00 0.00 C ATOM 112 O ILE A 8 -7.994 2.676 -4.534 1.00 0.00 O ATOM 113 CB ILE A 8 -6.860 5.702 -4.283 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.154 7.044 -3.602 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.866 5.888 -5.423 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.000 7.574 -2.778 1.00 0.00 C ATOM 0 H ILE A 8 -9.083 4.365 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.543 5.652 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.418 5.033 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.412 7.779 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.027 6.931 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.952 6.341 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.633 4.919 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.301 6.537 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.282 8.526 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.755 6.859 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.131 7.720 -3.420 1.00 0.00 H new ATOM 128 N GLU A 9 -7.461 3.527 -6.555 1.00 0.00 N ATOM 129 CA GLU A 9 -7.135 2.231 -7.146 1.00 0.00 C ATOM 130 C GLU A 9 -5.670 1.878 -6.918 1.00 0.00 C ATOM 131 O GLU A 9 -4.813 2.761 -6.833 1.00 0.00 O ATOM 132 CB GLU A 9 -7.427 2.236 -8.649 1.00 0.00 C ATOM 133 CG GLU A 9 -8.903 2.365 -8.989 1.00 0.00 C ATOM 134 CD GLU A 9 -9.200 2.031 -10.439 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.724 2.769 -11.329 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.909 1.034 -10.684 1.00 0.00 O ATOM 0 H GLU A 9 -7.350 4.318 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.758 1.481 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.884 3.060 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.042 1.315 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.480 1.704 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.232 3.383 -8.780 1.00 0.00 H new ATOM 143 N ILE A 10 -5.390 0.577 -6.837 1.00 0.00 N ATOM 144 CA ILE A 10 -4.026 0.091 -6.637 1.00 0.00 C ATOM 145 C ILE A 10 -3.091 0.606 -7.738 1.00 0.00 C ATOM 146 O ILE A 10 -1.919 0.890 -7.482 1.00 0.00 O ATOM 147 CB ILE A 10 -3.977 -1.457 -6.591 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.570 -1.935 -6.224 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.415 -2.057 -7.922 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.452 -3.439 -6.097 1.00 0.00 C ATOM 0 H ILE A 10 -6.092 -0.160 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.686 0.476 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.672 -1.796 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.868 -1.587 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.274 -1.475 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.371 -3.145 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.436 -1.746 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.751 -1.710 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.427 -3.703 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.128 -3.793 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.716 -3.906 -7.046 1.00 0.00 H new ATOM 162 N GLU A 11 -3.622 0.730 -8.959 1.00 0.00 N ATOM 163 CA GLU A 11 -2.842 1.219 -10.097 1.00 0.00 C ATOM 164 C GLU A 11 -2.559 2.719 -9.968 1.00 0.00 C ATOM 165 O GLU A 11 -1.438 3.168 -10.207 1.00 0.00 O ATOM 166 CB GLU A 11 -3.573 0.932 -11.418 1.00 0.00 C ATOM 167 CG GLU A 11 -4.913 1.647 -11.556 1.00 0.00 C ATOM 168 CD GLU A 11 -5.796 1.040 -12.631 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.417 -0.010 -12.367 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.866 1.617 -13.737 1.00 0.00 O ATOM 0 H GLU A 11 -4.590 0.498 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.890 0.689 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.930 1.225 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.736 -0.142 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.437 1.614 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.737 2.698 -11.787 1.00 0.00 H new ATOM 177 N ASP A 12 -3.583 3.488 -9.585 1.00 0.00 N ATOM 178 CA ASP A 12 -3.451 4.942 -9.422 1.00 0.00 C ATOM 179 C ASP A 12 -2.282 5.314 -8.500 1.00 0.00 C ATOM 180 O ASP A 12 -1.755 6.425 -8.578 1.00 0.00 O ATOM 181 CB ASP A 12 -4.749 5.537 -8.867 1.00 0.00 C ATOM 182 CG ASP A 12 -5.004 6.941 -9.382 1.00 0.00 C ATOM 183 OD1 ASP A 12 -5.612 7.075 -10.465 1.00 0.00 O ATOM 184 OD2 ASP A 12 -4.594 7.906 -8.703 1.00 0.00 O ATOM 0 H ASP A 12 -4.515 3.128 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.248 5.358 -10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.586 4.895 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.702 5.555 -7.778 1.00 0.00 H new ATOM 189 N MET A 13 -1.881 4.384 -7.633 1.00 0.00 N ATOM 190 CA MET A 13 -0.777 4.621 -6.707 1.00 0.00 C ATOM 191 C MET A 13 0.558 4.239 -7.348 1.00 0.00 C ATOM 192 O MET A 13 0.659 3.205 -8.011 1.00 0.00 O ATOM 193 CB MET A 13 -0.986 3.821 -5.418 1.00 0.00 C ATOM 194 CG MET A 13 -0.466 4.523 -4.175 1.00 0.00 C ATOM 195 SD MET A 13 -0.426 3.441 -2.732 1.00 0.00 S ATOM 196 CE MET A 13 -1.889 3.980 -1.850 1.00 0.00 C ATOM 0 H MET A 13 -2.305 3.460 -7.554 1.00 0.00 H new ATOM 0 HA MET A 13 -0.755 5.684 -6.466 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.050 3.620 -5.293 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.489 2.856 -5.515 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.538 4.901 -4.369 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.096 5.386 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.996 3.400 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.795 5.037 -1.601 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.768 3.832 -2.478 1.00 0.00 H new ATOM 206 N THR A 14 1.579 5.077 -7.146 1.00 0.00 N ATOM 207 CA THR A 14 2.910 4.826 -7.707 1.00 0.00 C ATOM 208 C THR A 14 3.488 3.514 -7.185 1.00 0.00 C ATOM 209 O THR A 14 3.259 3.139 -6.035 1.00 0.00 O ATOM 210 CB THR A 14 3.866 5.977 -7.376 1.00 0.00 C ATOM 211 OG1 THR A 14 3.305 7.220 -7.761 1.00 0.00 O ATOM 212 CG2 THR A 14 5.214 5.852 -8.056 1.00 0.00 C ATOM 0 H THR A 14 1.509 5.935 -6.598 1.00 0.00 H new ATOM 0 HA THR A 14 2.801 4.754 -8.789 1.00 0.00 H new ATOM 0 HB THR A 14 4.016 5.927 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.929 7.943 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.841 6.699 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.695 4.926 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.076 5.841 -9.137 1.00 0.00 H new ATOM 220 N PHE A 15 4.239 2.826 -8.043 1.00 0.00 N ATOM 221 CA PHE A 15 4.857 1.554 -7.682 1.00 0.00 C ATOM 222 C PHE A 15 6.354 1.716 -7.436 1.00 0.00 C ATOM 223 O PHE A 15 7.027 2.504 -8.105 1.00 0.00 O ATOM 224 CB PHE A 15 4.616 0.507 -8.780 1.00 0.00 C ATOM 225 CG PHE A 15 4.918 0.997 -10.174 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.225 1.068 -10.635 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.893 1.389 -11.023 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.502 1.522 -11.911 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.166 1.842 -12.300 1.00 0.00 C ATOM 230 CZ PHE A 15 5.472 1.909 -12.745 1.00 0.00 C ATOM 0 H PHE A 15 4.434 3.131 -8.997 1.00 0.00 H new ATOM 0 HA PHE A 15 4.394 1.212 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.231 -0.369 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.576 0.184 -8.737 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.036 0.765 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.869 1.340 -10.682 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.524 1.574 -12.256 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.358 2.144 -12.950 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.687 2.263 -13.742 1.00 0.00 H new ATOM 240 N GLU A 16 6.868 0.958 -6.469 1.00 0.00 N ATOM 241 CA GLU A 16 8.285 1.003 -6.125 1.00 0.00 C ATOM 242 C GLU A 16 8.870 -0.408 -6.062 1.00 0.00 C ATOM 243 O GLU A 16 8.804 -1.074 -5.026 1.00 0.00 O ATOM 244 CB GLU A 16 8.494 1.721 -4.785 1.00 0.00 C ATOM 245 CG GLU A 16 8.829 3.203 -4.924 1.00 0.00 C ATOM 246 CD GLU A 16 7.610 4.100 -5.113 1.00 0.00 C ATOM 247 OE1 GLU A 16 6.469 3.619 -4.939 1.00 0.00 O ATOM 248 OE2 GLU A 16 7.800 5.294 -5.432 1.00 0.00 O ATOM 0 H GLU A 16 6.321 0.304 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 16 8.804 1.561 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.591 1.617 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.298 1.226 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.371 3.527 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.500 3.335 -5.773 1.00 0.00 H new ATOM 255 N PRO A 17 9.459 -0.880 -7.180 1.00 0.00 N ATOM 256 CA PRO A 17 10.071 -2.216 -7.259 1.00 0.00 C ATOM 257 C PRO A 17 11.332 -2.345 -6.398 1.00 0.00 C ATOM 258 O PRO A 17 11.778 -3.456 -6.109 1.00 0.00 O ATOM 259 CB PRO A 17 10.422 -2.365 -8.742 1.00 0.00 C ATOM 260 CG PRO A 17 10.531 -0.973 -9.263 1.00 0.00 C ATOM 261 CD PRO A 17 9.579 -0.139 -8.453 1.00 0.00 C ATOM 0 HA PRO A 17 9.396 -2.986 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.358 -2.908 -8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.653 -2.925 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.551 -0.601 -9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.276 -0.934 -10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.964 0.868 -8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.614 -0.037 -8.949 1.00 0.00 H new ATOM 269 N GLU A 18 11.901 -1.204 -5.994 1.00 0.00 N ATOM 270 CA GLU A 18 13.111 -1.182 -5.167 1.00 0.00 C ATOM 271 C GLU A 18 12.941 -2.016 -3.893 1.00 0.00 C ATOM 272 O GLU A 18 13.872 -2.700 -3.463 1.00 0.00 O ATOM 273 CB GLU A 18 13.474 0.264 -4.796 1.00 0.00 C ATOM 274 CG GLU A 18 12.319 1.051 -4.182 1.00 0.00 C ATOM 275 CD GLU A 18 12.735 2.411 -3.648 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.502 3.117 -4.339 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.285 2.775 -2.541 1.00 0.00 O ATOM 0 H GLU A 18 11.540 -0.279 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 18 13.918 -1.622 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.307 0.251 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.820 0.783 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.541 1.186 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.882 0.468 -3.371 1.00 0.00 H new ATOM 284 N ASN A 19 11.751 -1.947 -3.292 1.00 0.00 N ATOM 285 CA ASN A 19 11.462 -2.686 -2.063 1.00 0.00 C ATOM 286 C ASN A 19 10.009 -3.178 -2.021 1.00 0.00 C ATOM 287 O ASN A 19 9.491 -3.488 -0.949 1.00 0.00 O ATOM 288 CB ASN A 19 11.747 -1.796 -0.849 1.00 0.00 C ATOM 289 CG ASN A 19 13.115 -2.054 -0.244 1.00 0.00 C ATOM 290 OD1 ASN A 19 14.142 -1.812 -0.877 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.139 -2.545 0.990 1.00 0.00 N ATOM 0 H ASN A 19 10.972 -1.386 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 19 12.108 -3.564 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.677 -0.750 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.981 -1.965 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.031 -2.735 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.265 -2.732 1.482 1.00 0.00 H new ATOM 298 N GLN A 20 9.359 -3.255 -3.188 1.00 0.00 N ATOM 299 CA GLN A 20 7.974 -3.717 -3.275 1.00 0.00 C ATOM 300 C GLN A 20 7.055 -2.890 -2.374 1.00 0.00 C ATOM 301 O GLN A 20 6.689 -3.314 -1.275 1.00 0.00 O ATOM 302 CB GLN A 20 7.891 -5.204 -2.912 1.00 0.00 C ATOM 303 CG GLN A 20 7.891 -6.126 -4.123 1.00 0.00 C ATOM 304 CD GLN A 20 9.270 -6.288 -4.736 1.00 0.00 C ATOM 305 OE1 GLN A 20 9.898 -7.337 -4.607 1.00 0.00 O ATOM 306 NE2 GLN A 20 9.745 -5.249 -5.414 1.00 0.00 N ATOM 0 H GLN A 20 9.773 -3.002 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 20 7.635 -3.585 -4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.734 -5.461 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.984 -5.378 -2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.511 -7.105 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.208 -5.731 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.190 -4.397 -5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.664 -5.303 -5.852 1.00 0.00 H new ATOM 315 N MET A 21 6.686 -1.705 -2.854 1.00 0.00 N ATOM 316 CA MET A 21 5.809 -0.807 -2.106 1.00 0.00 C ATOM 317 C MET A 21 5.149 0.206 -3.038 1.00 0.00 C ATOM 318 O MET A 21 5.590 0.399 -4.172 1.00 0.00 O ATOM 319 CB MET A 21 6.597 -0.074 -1.013 1.00 0.00 C ATOM 320 CG MET A 21 7.844 0.633 -1.521 1.00 0.00 C ATOM 321 SD MET A 21 8.904 1.213 -0.184 1.00 0.00 S ATOM 322 CE MET A 21 9.122 2.925 -0.659 1.00 0.00 C ATOM 0 H MET A 21 6.982 -1.343 -3.761 1.00 0.00 H new ATOM 0 HA MET A 21 5.030 -1.409 -1.638 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.944 0.658 -0.537 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.885 -0.791 -0.244 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.409 -0.047 -2.159 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.550 1.480 -2.140 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.758 3.427 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.590 2.973 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.151 3.419 -0.695 1.00 0.00 H new ATOM 332 N PHE A 22 4.091 0.851 -2.554 1.00 0.00 N ATOM 333 CA PHE A 22 3.376 1.847 -3.346 1.00 0.00 C ATOM 334 C PHE A 22 3.327 3.184 -2.611 1.00 0.00 C ATOM 335 O PHE A 22 2.772 3.275 -1.515 1.00 0.00 O ATOM 336 CB PHE A 22 1.951 1.377 -3.654 1.00 0.00 C ATOM 337 CG PHE A 22 1.872 0.078 -4.407 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.190 0.018 -5.755 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.461 -1.081 -3.768 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.104 -1.174 -6.449 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.369 -2.274 -4.457 1.00 0.00 C ATOM 342 CZ PHE A 22 1.691 -2.322 -5.799 1.00 0.00 C ATOM 0 H PHE A 22 3.711 0.702 -1.619 1.00 0.00 H new ATOM 0 HA PHE A 22 3.915 1.976 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.406 1.272 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.444 2.149 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.509 0.913 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.210 -1.051 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.359 -1.209 -7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.045 -3.169 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.620 -3.254 -6.340 1.00 0.00 H new ATOM 352 N THR A 23 3.911 4.218 -3.214 1.00 0.00 N ATOM 353 CA THR A 23 3.929 5.545 -2.605 1.00 0.00 C ATOM 354 C THR A 23 2.943 6.485 -3.301 1.00 0.00 C ATOM 355 O THR A 23 2.647 6.324 -4.486 1.00 0.00 O ATOM 356 CB THR A 23 5.344 6.139 -2.643 1.00 0.00 C ATOM 357 OG1 THR A 23 5.674 6.597 -3.946 1.00 0.00 O ATOM 358 CG2 THR A 23 6.423 5.166 -2.201 1.00 0.00 C ATOM 0 H THR A 23 4.376 4.162 -4.120 1.00 0.00 H new ATOM 0 HA THR A 23 3.622 5.438 -1.565 1.00 0.00 H new ATOM 0 HB THR A 23 5.319 6.968 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.495 6.156 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.396 5.654 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.230 4.850 -1.176 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.418 4.295 -2.856 1.00 0.00 H new ATOM 366 N TYR A 24 2.438 7.468 -2.551 1.00 0.00 N ATOM 367 CA TYR A 24 1.484 8.439 -3.087 1.00 0.00 C ATOM 368 C TYR A 24 1.459 9.710 -2.237 1.00 0.00 C ATOM 369 O TYR A 24 1.448 9.642 -1.007 1.00 0.00 O ATOM 370 CB TYR A 24 0.079 7.827 -3.149 1.00 0.00 C ATOM 371 CG TYR A 24 -0.927 8.673 -3.906 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.598 9.716 -3.279 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.201 8.430 -5.248 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.513 10.492 -3.966 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.115 9.202 -5.941 1.00 0.00 C ATOM 376 CZ TYR A 24 -2.768 10.231 -5.296 1.00 0.00 C ATOM 377 OH TYR A 24 -3.676 11.004 -5.983 1.00 0.00 O ATOM 0 H TYR A 24 2.675 7.612 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 24 1.804 8.704 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.141 6.846 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.284 7.671 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.401 9.924 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.691 7.625 -5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.026 11.299 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.317 9.000 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.739 10.690 -6.909 1.00 0.00 H new ATOM 387 N PRO A 25 1.443 10.893 -2.883 1.00 0.00 N ATOM 388 CA PRO A 25 1.412 12.177 -2.175 1.00 0.00 C ATOM 389 C PRO A 25 0.054 12.451 -1.529 1.00 0.00 C ATOM 390 O PRO A 25 -0.936 12.696 -2.222 1.00 0.00 O ATOM 391 CB PRO A 25 1.698 13.197 -3.280 1.00 0.00 C ATOM 392 CG PRO A 25 1.208 12.547 -4.528 1.00 0.00 C ATOM 393 CD PRO A 25 1.448 11.073 -4.350 1.00 0.00 C ATOM 0 HA PRO A 25 2.127 12.208 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.181 14.138 -3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.762 13.425 -3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.149 12.754 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.740 12.926 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.669 10.480 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.398 10.766 -4.788 1.00 0.00 H new ATOM 401 N CYS A 26 0.017 12.411 -0.198 1.00 0.00 N ATOM 402 CA CYS A 26 -1.216 12.664 0.542 1.00 0.00 C ATOM 403 C CYS A 26 -1.507 14.161 0.598 1.00 0.00 C ATOM 404 O CYS A 26 -0.591 14.968 0.771 1.00 0.00 O ATOM 405 CB CYS A 26 -1.114 12.099 1.964 1.00 0.00 C ATOM 406 SG CYS A 26 -2.623 12.316 2.965 1.00 0.00 S ATOM 0 H CYS A 26 0.826 12.206 0.388 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.034 12.165 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.881 11.036 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.280 12.580 2.475 1.00 0.00 H new ATOM 411 N PRO A 27 -2.791 14.553 0.454 1.00 0.00 N ATOM 412 CA PRO A 27 -3.208 15.963 0.491 1.00 0.00 C ATOM 413 C PRO A 27 -2.648 16.724 1.695 1.00 0.00 C ATOM 414 O PRO A 27 -2.439 17.937 1.621 1.00 0.00 O ATOM 415 CB PRO A 27 -4.731 15.874 0.584 1.00 0.00 C ATOM 416 CG PRO A 27 -5.070 14.591 -0.084 1.00 0.00 C ATOM 417 CD PRO A 27 -3.940 13.650 0.238 1.00 0.00 C ATOM 0 HA PRO A 27 -2.842 16.511 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.066 15.882 1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.209 16.718 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.020 14.200 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.172 14.726 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.154 13.054 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.754 12.952 -0.578 1.00 0.00 H new ATOM 425 N CYS A 28 -2.403 16.011 2.800 1.00 0.00 N ATOM 426 CA CYS A 28 -1.864 16.632 4.012 1.00 0.00 C ATOM 427 C CYS A 28 -0.478 17.238 3.758 1.00 0.00 C ATOM 428 O CYS A 28 -0.094 18.223 4.398 1.00 0.00 O ATOM 429 CB CYS A 28 -1.784 15.605 5.148 1.00 0.00 C ATOM 430 SG CYS A 28 -0.296 14.555 5.105 1.00 0.00 S ATOM 0 H CYS A 28 -2.569 15.008 2.879 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.540 17.436 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.815 16.132 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.666 14.966 5.108 1.00 0.00 H new ATOM 435 N GLY A 29 0.265 16.642 2.823 1.00 0.00 N ATOM 436 CA GLY A 29 1.599 17.124 2.494 1.00 0.00 C ATOM 437 C GLY A 29 2.699 16.115 2.807 1.00 0.00 C ATOM 438 O GLY A 29 3.875 16.480 2.858 1.00 0.00 O ATOM 0 H GLY A 29 -0.036 15.829 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.636 17.374 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.792 18.044 3.046 1.00 0.00 H new ATOM 442 N ASP A 30 2.324 14.851 3.014 1.00 0.00 N ATOM 443 CA ASP A 30 3.294 13.803 3.321 1.00 0.00 C ATOM 444 C ASP A 30 3.256 12.692 2.267 1.00 0.00 C ATOM 445 O ASP A 30 2.596 12.828 1.233 1.00 0.00 O ATOM 446 CB ASP A 30 3.016 13.227 4.714 1.00 0.00 C ATOM 447 CG ASP A 30 4.287 12.899 5.475 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.108 13.816 5.688 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.461 11.722 5.858 1.00 0.00 O ATOM 0 H ASP A 30 1.356 14.531 2.974 1.00 0.00 H new ATOM 0 HA ASP A 30 4.291 14.243 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.428 13.943 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.413 12.325 4.616 1.00 0.00 H new ATOM 454 N ARG A 31 3.973 11.597 2.528 1.00 0.00 N ATOM 455 CA ARG A 31 4.023 10.472 1.599 1.00 0.00 C ATOM 456 C ARG A 31 3.252 9.270 2.139 1.00 0.00 C ATOM 457 O ARG A 31 3.426 8.873 3.293 1.00 0.00 O ATOM 458 CB ARG A 31 5.476 10.078 1.324 1.00 0.00 C ATOM 459 CG ARG A 31 5.714 9.602 -0.100 1.00 0.00 C ATOM 460 CD ARG A 31 7.180 9.723 -0.497 1.00 0.00 C ATOM 461 NE ARG A 31 7.342 10.098 -1.904 1.00 0.00 N ATOM 462 CZ ARG A 31 8.493 9.996 -2.579 1.00 0.00 C ATOM 463 NH1 ARG A 31 9.585 9.527 -1.982 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.550 10.367 -3.855 1.00 0.00 N ATOM 0 H ARG A 31 4.526 11.468 3.375 1.00 0.00 H new ATOM 0 HA ARG A 31 3.552 10.787 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.121 10.933 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.768 9.288 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.396 8.564 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.102 10.187 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.666 10.467 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.684 8.774 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 31 6.527 10.459 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.549 9.242 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.459 9.452 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.717 10.729 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.427 10.289 -4.370 1.00 0.00 H new ATOM 478 N PHE A 32 2.405 8.691 1.289 1.00 0.00 N ATOM 479 CA PHE A 32 1.605 7.531 1.664 1.00 0.00 C ATOM 480 C PHE A 32 2.233 6.249 1.122 1.00 0.00 C ATOM 481 O PHE A 32 2.111 5.941 -0.065 1.00 0.00 O ATOM 482 CB PHE A 32 0.173 7.682 1.141 1.00 0.00 C ATOM 483 CG PHE A 32 -0.854 6.987 1.989 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.192 5.665 1.746 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.482 7.656 3.027 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.137 5.024 2.523 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.429 7.020 3.807 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.756 5.702 3.554 1.00 0.00 C ATOM 0 H PHE A 32 2.256 9.010 0.332 1.00 0.00 H new ATOM 0 HA PHE A 32 1.576 7.469 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.074 8.742 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.122 7.287 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.711 5.130 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.229 8.686 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.391 3.993 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.912 7.552 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.495 5.202 4.162 1.00 0.00 H new ATOM 498 N GLN A 33 2.911 5.509 1.999 1.00 0.00 N ATOM 499 CA GLN A 33 3.566 4.259 1.610 1.00 0.00 C ATOM 500 C GLN A 33 2.737 3.050 2.034 1.00 0.00 C ATOM 501 O GLN A 33 1.962 3.121 2.991 1.00 0.00 O ATOM 502 CB GLN A 33 4.965 4.164 2.231 1.00 0.00 C ATOM 503 CG GLN A 33 5.792 5.434 2.098 1.00 0.00 C ATOM 504 CD GLN A 33 7.280 5.153 1.981 1.00 0.00 C ATOM 505 OE1 GLN A 33 7.848 4.413 2.786 1.00 0.00 O ATOM 506 NE2 GLN A 33 7.922 5.743 0.978 1.00 0.00 N ATOM 0 H GLN A 33 3.021 5.753 2.983 1.00 0.00 H new ATOM 0 HA GLN A 33 3.656 4.259 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.865 3.917 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.504 3.341 1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.461 5.988 1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.613 6.072 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.414 6.349 0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.923 5.590 0.853 1.00 0.00 H new ATOM 515 N ILE A 34 2.914 1.938 1.321 1.00 0.00 N ATOM 516 CA ILE A 34 2.191 0.705 1.621 1.00 0.00 C ATOM 517 C ILE A 34 2.875 -0.504 0.977 1.00 0.00 C ATOM 518 O ILE A 34 3.081 -0.539 -0.239 1.00 0.00 O ATOM 519 CB ILE A 34 0.716 0.785 1.155 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.057 -0.465 1.592 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.634 0.970 -0.354 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.467 -0.173 2.065 1.00 0.00 C ATOM 0 H ILE A 34 3.554 1.867 0.530 1.00 0.00 H new ATOM 0 HA ILE A 34 2.203 0.581 2.704 1.00 0.00 H new ATOM 0 HB ILE A 34 0.257 1.653 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.100 -1.165 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.491 -0.959 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.411 1.023 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.141 1.893 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.113 0.126 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.953 -1.104 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.431 0.502 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.032 0.293 1.258 1.00 0.00 H new ATOM 534 N TYR A 35 3.228 -1.490 1.801 1.00 0.00 N ATOM 535 CA TYR A 35 3.890 -2.698 1.314 1.00 0.00 C ATOM 536 C TYR A 35 2.891 -3.624 0.624 1.00 0.00 C ATOM 537 O TYR A 35 1.731 -3.715 1.034 1.00 0.00 O ATOM 538 CB TYR A 35 4.572 -3.438 2.470 1.00 0.00 C ATOM 539 CG TYR A 35 5.912 -4.036 2.102 1.00 0.00 C ATOM 540 CD1 TYR A 35 7.037 -3.234 1.967 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.050 -5.402 1.889 1.00 0.00 C ATOM 542 CE1 TYR A 35 8.261 -3.775 1.630 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.272 -5.952 1.552 1.00 0.00 C ATOM 544 CZ TYR A 35 8.374 -5.134 1.423 1.00 0.00 C ATOM 545 OH TYR A 35 9.594 -5.678 1.086 1.00 0.00 O ATOM 0 H TYR A 35 3.066 -1.475 2.808 1.00 0.00 H new ATOM 0 HA TYR A 35 4.646 -2.398 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.708 -2.747 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.913 -4.233 2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.953 -2.169 2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.188 -6.045 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.127 -3.137 1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.363 -7.016 1.391 1.00 0.00 H new ATOM 0 HH TYR A 35 9.978 -5.180 0.334 1.00 0.00 H new ATOM 555 N LEU A 36 3.353 -4.313 -0.421 1.00 0.00 N ATOM 556 CA LEU A 36 2.507 -5.242 -1.172 1.00 0.00 C ATOM 557 C LEU A 36 1.953 -6.333 -0.258 1.00 0.00 C ATOM 558 O LEU A 36 0.773 -6.679 -0.338 1.00 0.00 O ATOM 559 CB LEU A 36 3.299 -5.872 -2.323 1.00 0.00 C ATOM 560 CG LEU A 36 3.376 -5.027 -3.597 1.00 0.00 C ATOM 561 CD1 LEU A 36 3.951 -3.652 -3.289 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.211 -5.732 -4.658 1.00 0.00 C ATOM 0 H LEU A 36 4.310 -4.245 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 36 1.669 -4.680 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.313 -6.074 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.849 -6.833 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 36 2.366 -4.899 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.999 -3.064 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.313 -3.145 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.953 -3.761 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.254 -5.116 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.220 -5.892 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.757 -6.693 -4.899 1.00 0.00 H new ATOM 574 N ASP A 37 2.810 -6.860 0.619 1.00 0.00 N ATOM 575 CA ASP A 37 2.403 -7.900 1.562 1.00 0.00 C ATOM 576 C ASP A 37 1.284 -7.399 2.473 1.00 0.00 C ATOM 577 O ASP A 37 0.365 -8.147 2.805 1.00 0.00 O ATOM 578 CB ASP A 37 3.593 -8.356 2.411 1.00 0.00 C ATOM 579 CG ASP A 37 3.549 -9.842 2.708 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.869 -10.232 3.680 1.00 0.00 O ATOM 581 OD2 ASP A 37 4.191 -10.615 1.966 1.00 0.00 O ATOM 0 H ASP A 37 3.789 -6.583 0.695 1.00 0.00 H new ATOM 0 HA ASP A 37 2.034 -8.747 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.521 -8.119 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.602 -7.800 3.348 1.00 0.00 H new ATOM 586 N ASP A 38 1.368 -6.125 2.869 1.00 0.00 N ATOM 587 CA ASP A 38 0.359 -5.520 3.737 1.00 0.00 C ATOM 588 C ASP A 38 -1.028 -5.607 3.102 1.00 0.00 C ATOM 589 O ASP A 38 -1.977 -6.087 3.725 1.00 0.00 O ATOM 590 CB ASP A 38 0.708 -4.054 4.023 1.00 0.00 C ATOM 591 CG ASP A 38 0.252 -3.609 5.399 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.965 -3.400 5.583 1.00 0.00 O ATOM 593 OD2 ASP A 38 1.114 -3.468 6.292 1.00 0.00 O ATOM 0 H ASP A 38 2.124 -5.495 2.601 1.00 0.00 H new ATOM 0 HA ASP A 38 0.348 -6.073 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.786 -3.917 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.246 -3.419 3.267 1.00 0.00 H new ATOM 598 N MET A 39 -1.131 -5.148 1.853 1.00 0.00 N ATOM 599 CA MET A 39 -2.397 -5.176 1.119 1.00 0.00 C ATOM 600 C MET A 39 -2.820 -6.614 0.808 1.00 0.00 C ATOM 601 O MET A 39 -4.008 -6.940 0.839 1.00 0.00 O ATOM 602 CB MET A 39 -2.278 -4.376 -0.184 1.00 0.00 C ATOM 603 CG MET A 39 -1.992 -2.895 0.024 1.00 0.00 C ATOM 604 SD MET A 39 -1.520 -2.058 -1.503 1.00 0.00 S ATOM 605 CE MET A 39 -2.539 -0.588 -1.415 1.00 0.00 C ATOM 0 H MET A 39 -0.351 -4.752 1.328 1.00 0.00 H new ATOM 0 HA MET A 39 -3.160 -4.720 1.750 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.483 -4.807 -0.792 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.204 -4.481 -0.749 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.877 -2.413 0.440 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.193 -2.782 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.998 0.256 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.460 -0.750 -1.974 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.780 -0.374 -0.374 1.00 0.00 H new ATOM 615 N PHE A 40 -1.837 -7.469 0.512 1.00 0.00 N ATOM 616 CA PHE A 40 -2.096 -8.875 0.200 1.00 0.00 C ATOM 617 C PHE A 40 -2.700 -9.601 1.404 1.00 0.00 C ATOM 618 O PHE A 40 -3.637 -10.386 1.256 1.00 0.00 O ATOM 619 CB PHE A 40 -0.798 -9.566 -0.239 1.00 0.00 C ATOM 620 CG PHE A 40 -0.966 -11.021 -0.595 1.00 0.00 C ATOM 621 CD1 PHE A 40 -2.034 -11.445 -1.372 1.00 0.00 C ATOM 622 CD2 PHE A 40 -0.053 -11.966 -0.149 1.00 0.00 C ATOM 623 CE1 PHE A 40 -2.188 -12.780 -1.696 1.00 0.00 C ATOM 624 CE2 PHE A 40 -0.203 -13.302 -0.470 1.00 0.00 C ATOM 625 CZ PHE A 40 -1.272 -13.709 -1.245 1.00 0.00 C ATOM 0 H PHE A 40 -0.851 -7.209 0.482 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.815 -8.916 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.391 -9.037 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.065 -9.481 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.754 -10.723 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.785 -11.654 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.025 -13.096 -2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.515 -14.027 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.391 -14.752 -1.498 1.00 0.00 H new ATOM 635 N GLU A 41 -2.159 -9.329 2.594 1.00 0.00 N ATOM 636 CA GLU A 41 -2.646 -9.949 3.828 1.00 0.00 C ATOM 637 C GLU A 41 -4.147 -9.706 4.015 1.00 0.00 C ATOM 638 O GLU A 41 -4.867 -10.573 4.516 1.00 0.00 O ATOM 639 CB GLU A 41 -1.870 -9.414 5.037 1.00 0.00 C ATOM 640 CG GLU A 41 -1.831 -10.382 6.209 1.00 0.00 C ATOM 641 CD GLU A 41 -0.754 -11.439 6.056 1.00 0.00 C ATOM 642 OE1 GLU A 41 -1.036 -12.488 5.438 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.370 -11.217 6.552 1.00 0.00 O ATOM 0 H GLU A 41 -1.382 -8.682 2.729 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.483 -11.024 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.849 -9.185 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.323 -8.478 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.660 -9.825 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.801 -10.869 6.306 1.00 0.00 H new ATOM 650 N GLY A 42 -4.612 -8.526 3.602 1.00 0.00 N ATOM 651 CA GLY A 42 -6.020 -8.189 3.723 1.00 0.00 C ATOM 652 C GLY A 42 -6.236 -6.752 4.160 1.00 0.00 C ATOM 653 O GLY A 42 -6.914 -6.498 5.157 1.00 0.00 O ATOM 0 H GLY A 42 -4.034 -7.796 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.513 -8.352 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.491 -8.859 4.442 1.00 0.00 H new ATOM 657 N GLU A 43 -5.653 -5.814 3.414 1.00 0.00 N ATOM 658 CA GLU A 43 -5.776 -4.393 3.728 1.00 0.00 C ATOM 659 C GLU A 43 -6.763 -3.699 2.795 1.00 0.00 C ATOM 660 O GLU A 43 -6.937 -4.104 1.644 1.00 0.00 O ATOM 661 CB GLU A 43 -4.407 -3.710 3.647 1.00 0.00 C ATOM 662 CG GLU A 43 -4.218 -2.615 4.689 1.00 0.00 C ATOM 663 CD GLU A 43 -4.281 -1.205 4.119 1.00 0.00 C ATOM 664 OE1 GLU A 43 -4.911 -1.008 3.057 1.00 0.00 O ATOM 665 OE2 GLU A 43 -3.702 -0.295 4.745 1.00 0.00 O ATOM 0 H GLU A 43 -5.090 -6.014 2.587 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.158 -4.310 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.626 -4.460 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.281 -3.282 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.985 -2.721 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.255 -2.756 5.179 1.00 0.00 H new ATOM 672 N LYS A 44 -7.406 -2.648 3.305 1.00 0.00 N ATOM 673 CA LYS A 44 -8.381 -1.881 2.529 1.00 0.00 C ATOM 674 C LYS A 44 -8.364 -0.403 2.924 1.00 0.00 C ATOM 675 O LYS A 44 -8.327 0.475 2.061 1.00 0.00 O ATOM 676 CB LYS A 44 -9.790 -2.453 2.719 1.00 0.00 C ATOM 677 CG LYS A 44 -10.001 -3.792 2.032 1.00 0.00 C ATOM 678 CD LYS A 44 -11.451 -4.244 2.114 1.00 0.00 C ATOM 679 CE LYS A 44 -11.595 -5.712 1.746 1.00 0.00 C ATOM 680 NZ LYS A 44 -13.018 -6.155 1.750 1.00 0.00 N ATOM 0 H LYS A 44 -7.268 -2.307 4.256 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.102 -1.960 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.986 -2.566 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.518 -1.738 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.702 -3.716 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.359 -4.543 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.828 -4.082 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.061 -3.638 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.166 -5.881 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.025 -6.319 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.069 -7.162 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.421 -6.018 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.558 -5.594 1.060 1.00 0.00 H new ATOM 694 N VAL A 45 -8.389 -0.133 4.231 1.00 0.00 N ATOM 695 CA VAL A 45 -8.376 1.238 4.733 1.00 0.00 C ATOM 696 C VAL A 45 -7.023 1.575 5.354 1.00 0.00 C ATOM 697 O VAL A 45 -6.746 1.211 6.499 1.00 0.00 O ATOM 698 CB VAL A 45 -9.491 1.476 5.777 1.00 0.00 C ATOM 699 CG1 VAL A 45 -9.622 2.961 6.097 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.818 0.911 5.288 1.00 0.00 C ATOM 0 H VAL A 45 -8.418 -0.847 4.959 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.557 1.891 3.879 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.216 0.953 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.412 3.106 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.679 3.331 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.869 3.509 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.588 1.090 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.100 1.400 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.717 -0.161 5.120 1.00 0.00 H new ATOM 710 N ALA A 46 -6.185 2.274 4.592 1.00 0.00 N ATOM 711 CA ALA A 46 -4.860 2.661 5.066 1.00 0.00 C ATOM 712 C ALA A 46 -4.906 3.996 5.804 1.00 0.00 C ATOM 713 O ALA A 46 -5.724 4.865 5.488 1.00 0.00 O ATOM 714 CB ALA A 46 -3.881 2.729 3.902 1.00 0.00 C ATOM 0 H ALA A 46 -6.400 2.584 3.644 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.518 1.902 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.897 3.019 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.816 1.752 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.228 3.465 3.177 1.00 0.00 H new ATOM 720 N VAL A 47 -4.022 4.151 6.790 1.00 0.00 N ATOM 721 CA VAL A 47 -3.955 5.376 7.581 1.00 0.00 C ATOM 722 C VAL A 47 -2.633 6.105 7.347 1.00 0.00 C ATOM 723 O VAL A 47 -1.559 5.506 7.431 1.00 0.00 O ATOM 724 CB VAL A 47 -4.114 5.081 9.091 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.258 6.372 9.886 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.306 4.165 9.338 1.00 0.00 C ATOM 0 H VAL A 47 -3.342 3.440 7.059 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.779 6.012 7.258 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.212 4.572 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.368 6.137 10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.371 6.989 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.138 6.915 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.400 3.970 10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.215 4.645 8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.157 3.224 8.809 1.00 0.00 H new ATOM 736 N CYS A 48 -2.722 7.402 7.056 1.00 0.00 N ATOM 737 CA CYS A 48 -1.534 8.220 6.811 1.00 0.00 C ATOM 738 C CYS A 48 -0.729 8.408 8.097 1.00 0.00 C ATOM 739 O CYS A 48 -1.298 8.666 9.159 1.00 0.00 O ATOM 740 CB CYS A 48 -1.940 9.586 6.245 1.00 0.00 C ATOM 741 SG CYS A 48 -0.545 10.712 5.914 1.00 0.00 S ATOM 0 H CYS A 48 -3.604 7.909 6.984 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.908 7.703 6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.493 9.431 5.319 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.621 10.068 6.946 1.00 0.00 H new ATOM 746 N PRO A 49 0.612 8.284 8.021 1.00 0.00 N ATOM 747 CA PRO A 49 1.488 8.445 9.183 1.00 0.00 C ATOM 748 C PRO A 49 1.832 9.912 9.479 1.00 0.00 C ATOM 749 O PRO A 49 2.809 10.197 10.177 1.00 0.00 O ATOM 750 CB PRO A 49 2.736 7.668 8.767 1.00 0.00 C ATOM 751 CG PRO A 49 2.799 7.815 7.283 1.00 0.00 C ATOM 752 CD PRO A 49 1.377 7.974 6.798 1.00 0.00 C ATOM 0 HA PRO A 49 1.022 8.090 10.102 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.630 8.071 9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.665 6.620 9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.401 8.680 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.267 6.942 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.294 8.774 6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.014 7.063 6.321 1.00 0.00 H new ATOM 760 N SER A 50 1.025 10.838 8.953 1.00 0.00 N ATOM 761 CA SER A 50 1.241 12.267 9.167 1.00 0.00 C ATOM 762 C SER A 50 -0.037 12.931 9.677 1.00 0.00 C ATOM 763 O SER A 50 -0.053 13.505 10.768 1.00 0.00 O ATOM 764 CB SER A 50 1.705 12.938 7.868 1.00 0.00 C ATOM 765 OG SER A 50 1.875 14.335 8.046 1.00 0.00 O ATOM 0 H SER A 50 0.214 10.620 8.374 1.00 0.00 H new ATOM 0 HA SER A 50 2.020 12.388 9.920 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.645 12.493 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.975 12.755 7.080 1.00 0.00 H new ATOM 0 HG SER A 50 2.458 14.686 7.341 1.00 0.00 H new ATOM 771 N CYS A 51 -1.106 12.845 8.885 1.00 0.00 N ATOM 772 CA CYS A 51 -2.390 13.438 9.262 1.00 0.00 C ATOM 773 C CYS A 51 -3.369 12.385 9.799 1.00 0.00 C ATOM 774 O CYS A 51 -4.339 12.729 10.479 1.00 0.00 O ATOM 775 CB CYS A 51 -3.009 14.169 8.068 1.00 0.00 C ATOM 776 SG CYS A 51 -3.550 13.073 6.716 1.00 0.00 S ATOM 0 H CYS A 51 -1.109 12.372 7.981 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.198 14.152 10.063 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.865 14.748 8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.282 14.880 7.675 1.00 0.00 H new ATOM 781 N SER A 52 -3.117 11.108 9.487 1.00 0.00 N ATOM 782 CA SER A 52 -3.979 10.014 9.935 1.00 0.00 C ATOM 783 C SER A 52 -5.306 10.007 9.164 1.00 0.00 C ATOM 784 O SER A 52 -6.361 9.692 9.722 1.00 0.00 O ATOM 785 CB SER A 52 -4.231 10.117 11.444 1.00 0.00 C ATOM 786 OG SER A 52 -4.501 8.846 12.010 1.00 0.00 O ATOM 0 H SER A 52 -2.320 10.809 8.924 1.00 0.00 H new ATOM 0 HA SER A 52 -3.468 9.073 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.360 10.557 11.931 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.071 10.786 11.629 1.00 0.00 H new ATOM 0 HG SER A 52 -4.656 8.943 12.973 1.00 0.00 H new ATOM 792 N LEU A 53 -5.240 10.350 7.875 1.00 0.00 N ATOM 793 CA LEU A 53 -6.426 10.381 7.019 1.00 0.00 C ATOM 794 C LEU A 53 -6.972 8.969 6.794 1.00 0.00 C ATOM 795 O LEU A 53 -6.237 7.984 6.900 1.00 0.00 O ATOM 796 CB LEU A 53 -6.093 11.040 5.671 1.00 0.00 C ATOM 797 CG LEU A 53 -6.890 12.309 5.339 1.00 0.00 C ATOM 798 CD1 LEU A 53 -8.366 11.985 5.161 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.699 13.369 6.418 1.00 0.00 C ATOM 0 H LEU A 53 -4.375 10.611 7.401 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.193 10.970 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.031 11.286 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.260 10.310 4.879 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.511 12.710 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.913 12.898 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.486 11.270 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.758 11.554 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.274 14.259 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.044 12.979 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.643 13.628 6.491 1.00 0.00 H new ATOM 811 N MET A 54 -8.266 8.880 6.486 1.00 0.00 N ATOM 812 CA MET A 54 -8.915 7.591 6.251 1.00 0.00 C ATOM 813 C MET A 54 -9.318 7.449 4.785 1.00 0.00 C ATOM 814 O MET A 54 -10.178 8.185 4.292 1.00 0.00 O ATOM 815 CB MET A 54 -10.144 7.438 7.153 1.00 0.00 C ATOM 816 CG MET A 54 -9.810 7.389 8.637 1.00 0.00 C ATOM 817 SD MET A 54 -11.282 7.286 9.675 1.00 0.00 S ATOM 818 CE MET A 54 -11.003 8.655 10.797 1.00 0.00 C ATOM 0 H MET A 54 -8.885 9.685 6.394 1.00 0.00 H new ATOM 0 HA MET A 54 -8.202 6.802 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.824 8.270 6.970 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.674 6.526 6.878 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.170 6.529 8.834 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.241 8.278 8.907 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.831 8.722 11.503 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.073 8.494 11.343 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.935 9.583 10.229 1.00 0.00 H new ATOM 828 N ILE A 55 -8.683 6.501 4.094 1.00 0.00 N ATOM 829 CA ILE A 55 -8.963 6.258 2.677 1.00 0.00 C ATOM 830 C ILE A 55 -9.157 4.768 2.392 1.00 0.00 C ATOM 831 O ILE A 55 -8.473 3.921 2.971 1.00 0.00 O ATOM 832 CB ILE A 55 -7.831 6.789 1.769 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.484 6.161 2.156 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.760 8.310 1.829 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.204 4.850 1.448 1.00 0.00 C ATOM 0 H ILE A 55 -7.971 5.889 4.492 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.885 6.795 2.453 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.054 6.502 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.684 6.866 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.465 5.995 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.956 8.663 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.707 8.732 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.565 8.625 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.237 4.463 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.983 4.129 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.190 5.014 0.371 1.00 0.00 H new ATOM 847 N ASP A 56 -10.086 4.461 1.486 1.00 0.00 N ATOM 848 CA ASP A 56 -10.369 3.078 1.108 1.00 0.00 C ATOM 849 C ASP A 56 -9.716 2.734 -0.232 1.00 0.00 C ATOM 850 O ASP A 56 -10.317 2.925 -1.292 1.00 0.00 O ATOM 851 CB ASP A 56 -11.881 2.843 1.025 1.00 0.00 C ATOM 852 CG ASP A 56 -12.614 3.256 2.290 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.183 2.849 3.390 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.622 3.984 2.179 1.00 0.00 O ATOM 0 H ASP A 56 -10.656 5.154 1.000 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.950 2.428 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.284 3.400 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.069 1.787 0.830 1.00 0.00 H new ATOM 859 N VAL A 57 -8.488 2.216 -0.177 1.00 0.00 N ATOM 860 CA VAL A 57 -7.761 1.838 -1.387 1.00 0.00 C ATOM 861 C VAL A 57 -8.135 0.422 -1.824 1.00 0.00 C ATOM 862 O VAL A 57 -8.078 -0.521 -1.031 1.00 0.00 O ATOM 863 CB VAL A 57 -6.228 1.938 -1.194 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.746 0.995 -0.099 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.502 1.656 -2.505 1.00 0.00 C ATOM 0 H VAL A 57 -7.978 2.049 0.691 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.051 2.543 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.996 2.957 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.666 1.089 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.231 1.252 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.995 -0.032 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.426 1.731 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.749 0.652 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.811 2.383 -3.256 1.00 0.00 H new ATOM 875 N VAL A 58 -8.522 0.281 -3.089 1.00 0.00 N ATOM 876 CA VAL A 58 -8.908 -1.017 -3.630 1.00 0.00 C ATOM 877 C VAL A 58 -7.704 -1.746 -4.223 1.00 0.00 C ATOM 878 O VAL A 58 -6.928 -1.169 -4.990 1.00 0.00 O ATOM 879 CB VAL A 58 -10.025 -0.885 -4.693 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.555 -0.064 -5.886 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.507 -2.260 -5.135 1.00 0.00 C ATOM 0 H VAL A 58 -8.576 1.050 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.299 -1.605 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.864 -0.357 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.361 0.011 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.273 0.935 -5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.694 -0.549 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.292 -2.147 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.674 -2.817 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.900 -2.802 -4.275 1.00 0.00 H new ATOM 891 N PHE A 59 -7.556 -3.016 -3.854 1.00 0.00 N ATOM 892 CA PHE A 59 -6.449 -3.838 -4.334 1.00 0.00 C ATOM 893 C PHE A 59 -6.948 -4.948 -5.256 1.00 0.00 C ATOM 894 O PHE A 59 -8.020 -5.517 -5.038 1.00 0.00 O ATOM 895 CB PHE A 59 -5.686 -4.444 -3.149 1.00 0.00 C ATOM 896 CG PHE A 59 -6.507 -5.396 -2.315 1.00 0.00 C ATOM 897 CD1 PHE A 59 -7.252 -4.935 -1.239 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.537 -6.751 -2.611 1.00 0.00 C ATOM 899 CE1 PHE A 59 -8.010 -5.806 -0.477 1.00 0.00 C ATOM 900 CE2 PHE A 59 -7.292 -7.625 -1.852 1.00 0.00 C ATOM 901 CZ PHE A 59 -8.029 -7.152 -0.784 1.00 0.00 C ATOM 0 H PHE A 59 -8.193 -3.500 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.776 -3.198 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.809 -4.970 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.325 -3.637 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.240 -3.883 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.963 -7.128 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.586 -5.434 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.306 -8.677 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.619 -7.834 -0.190 1.00 0.00 H new ATOM 911 N ASP A 60 -6.158 -5.249 -6.283 1.00 0.00 N ATOM 912 CA ASP A 60 -6.503 -6.291 -7.247 1.00 0.00 C ATOM 913 C ASP A 60 -5.682 -7.562 -7.017 1.00 0.00 C ATOM 914 O ASP A 60 -6.137 -8.662 -7.330 1.00 0.00 O ATOM 915 CB ASP A 60 -6.286 -5.778 -8.672 1.00 0.00 C ATOM 916 CG ASP A 60 -7.233 -4.647 -9.025 1.00 0.00 C ATOM 917 OD1 ASP A 60 -8.463 -4.860 -8.962 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.747 -3.550 -9.363 1.00 0.00 O ATOM 0 H ASP A 60 -5.270 -4.784 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.555 -6.542 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.257 -5.435 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.424 -6.598 -9.376 1.00 0.00 H new ATOM 923 N LYS A 61 -4.467 -7.404 -6.475 1.00 0.00 N ATOM 924 CA LYS A 61 -3.582 -8.538 -6.209 1.00 0.00 C ATOM 925 C LYS A 61 -3.172 -9.245 -7.508 1.00 0.00 C ATOM 926 O LYS A 61 -2.841 -10.433 -7.506 1.00 0.00 O ATOM 927 CB LYS A 61 -4.265 -9.521 -5.254 1.00 0.00 C ATOM 928 CG LYS A 61 -3.315 -10.526 -4.622 1.00 0.00 C ATOM 929 CD LYS A 61 -3.964 -11.892 -4.480 1.00 0.00 C ATOM 930 CE LYS A 61 -5.050 -11.891 -3.414 1.00 0.00 C ATOM 931 NZ LYS A 61 -5.727 -13.214 -3.310 1.00 0.00 N ATOM 0 H LYS A 61 -4.077 -6.499 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.674 -8.159 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.762 -8.959 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.041 -10.061 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.415 -10.611 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.003 -10.167 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.393 -12.192 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.204 -12.631 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.613 -11.630 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.787 -11.123 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.460 -13.172 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.166 -13.452 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.028 -13.943 -3.062 1.00 0.00 H new ATOM 945 N GLU A 62 -3.183 -8.500 -8.612 1.00 0.00 N ATOM 946 CA GLU A 62 -2.804 -9.046 -9.912 1.00 0.00 C ATOM 947 C GLU A 62 -1.335 -8.746 -10.212 1.00 0.00 C ATOM 948 O GLU A 62 -0.618 -9.589 -10.755 1.00 0.00 O ATOM 949 CB GLU A 62 -3.695 -8.465 -11.010 1.00 0.00 C ATOM 950 CG GLU A 62 -3.786 -9.345 -12.246 1.00 0.00 C ATOM 951 CD GLU A 62 -4.793 -8.832 -13.256 1.00 0.00 C ATOM 952 OE1 GLU A 62 -4.414 -7.992 -14.099 1.00 0.00 O ATOM 953 OE2 GLU A 62 -5.962 -9.271 -13.204 1.00 0.00 O ATOM 0 H GLU A 62 -3.451 -7.516 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.939 -10.127 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.697 -8.310 -10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.312 -7.486 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.805 -9.406 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.060 -10.357 -11.947 1.00 0.00 H new ATOM 960 N ASP A 63 -0.901 -7.539 -9.847 1.00 0.00 N ATOM 961 CA ASP A 63 0.480 -7.108 -10.064 1.00 0.00 C ATOM 962 C ASP A 63 1.435 -7.782 -9.078 1.00 0.00 C ATOM 963 O ASP A 63 2.587 -8.048 -9.416 1.00 0.00 O ATOM 964 CB ASP A 63 0.592 -5.587 -9.931 1.00 0.00 C ATOM 965 CG ASP A 63 -0.017 -4.852 -11.109 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.261 -4.815 -11.208 1.00 0.00 O ATOM 967 OD2 ASP A 63 0.752 -4.312 -11.932 1.00 0.00 O ATOM 0 H ASP A 63 -1.490 -6.839 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 63 0.763 -7.404 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.097 -5.269 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.642 -5.310 -9.839 1.00 0.00 H new ATOM 972 N LEU A 64 0.956 -8.052 -7.860 1.00 0.00 N ATOM 973 CA LEU A 64 1.784 -8.694 -6.836 1.00 0.00 C ATOM 974 C LEU A 64 2.372 -10.009 -7.348 1.00 0.00 C ATOM 975 O LEU A 64 3.559 -10.277 -7.164 1.00 0.00 O ATOM 976 CB LEU A 64 0.973 -8.947 -5.562 1.00 0.00 C ATOM 977 CG LEU A 64 1.012 -7.816 -4.534 1.00 0.00 C ATOM 978 CD1 LEU A 64 -0.083 -6.797 -4.815 1.00 0.00 C ATOM 979 CD2 LEU A 64 0.880 -8.379 -3.127 1.00 0.00 C ATOM 0 H LEU A 64 0.005 -7.837 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 64 2.605 -8.016 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.065 -9.128 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.341 -9.859 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 64 1.973 -7.307 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.038 -6.000 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.060 -6.374 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.056 -7.285 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.909 -7.563 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.067 -8.911 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.703 -9.067 -2.932 1.00 0.00 H new ATOM 991 N ALA A 65 1.536 -10.823 -7.999 1.00 0.00 N ATOM 992 CA ALA A 65 1.978 -12.106 -8.544 1.00 0.00 C ATOM 993 C ALA A 65 3.105 -11.918 -9.565 1.00 0.00 C ATOM 994 O ALA A 65 4.049 -12.710 -9.610 1.00 0.00 O ATOM 995 CB ALA A 65 0.805 -12.846 -9.175 1.00 0.00 C ATOM 0 H ALA A 65 0.551 -10.615 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 65 2.369 -12.704 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.150 -13.799 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.040 -13.026 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.386 -12.243 -9.981 1.00 0.00 H new ATOM 1001 N GLU A 66 3.002 -10.863 -10.376 1.00 0.00 N ATOM 1002 CA GLU A 66 4.013 -10.565 -11.392 1.00 0.00 C ATOM 1003 C GLU A 66 5.238 -9.885 -10.773 1.00 0.00 C ATOM 1004 O GLU A 66 6.374 -10.189 -11.138 1.00 0.00 O ATOM 1005 CB GLU A 66 3.420 -9.674 -12.487 1.00 0.00 C ATOM 1006 CG GLU A 66 2.706 -10.452 -13.581 1.00 0.00 C ATOM 1007 CD GLU A 66 3.546 -10.593 -14.836 1.00 0.00 C ATOM 1008 OE1 GLU A 66 4.325 -11.565 -14.922 1.00 0.00 O ATOM 1009 OE2 GLU A 66 3.425 -9.731 -15.732 1.00 0.00 O ATOM 0 H GLU A 66 2.227 -10.200 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 66 4.333 -11.510 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.719 -8.973 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.218 -9.082 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.447 -11.443 -13.208 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.771 -9.950 -13.828 1.00 0.00 H new ATOM 1016 N TYR A 67 4.998 -8.964 -9.839 1.00 0.00 N ATOM 1017 CA TYR A 67 6.079 -8.237 -9.171 1.00 0.00 C ATOM 1018 C TYR A 67 6.955 -9.167 -8.331 1.00 0.00 C ATOM 1019 O TYR A 67 8.165 -8.963 -8.236 1.00 0.00 O ATOM 1020 CB TYR A 67 5.510 -7.124 -8.287 1.00 0.00 C ATOM 1021 CG TYR A 67 6.013 -5.742 -8.648 1.00 0.00 C ATOM 1022 CD1 TYR A 67 6.094 -5.330 -9.975 1.00 0.00 C ATOM 1023 CD2 TYR A 67 6.405 -4.847 -7.660 1.00 0.00 C ATOM 1024 CE1 TYR A 67 6.551 -4.069 -10.303 1.00 0.00 C ATOM 1025 CE2 TYR A 67 6.861 -3.584 -7.982 1.00 0.00 C ATOM 1026 CZ TYR A 67 6.932 -3.201 -9.305 1.00 0.00 C ATOM 1027 OH TYR A 67 7.387 -1.944 -9.630 1.00 0.00 O ATOM 0 H TYR A 67 4.063 -8.703 -9.527 1.00 0.00 H new ATOM 0 HA TYR A 67 6.703 -7.798 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.422 -7.135 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.763 -7.333 -7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.795 -6.008 -10.761 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.352 -5.144 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.609 -3.765 -11.338 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.160 -2.900 -7.202 1.00 0.00 H new ATOM 0 HH TYR A 67 6.632 -1.384 -9.906 1.00 0.00 H new ATOM 1037 N TYR A 68 6.347 -10.186 -7.723 1.00 0.00 N ATOM 1038 CA TYR A 68 7.093 -11.137 -6.897 1.00 0.00 C ATOM 1039 C TYR A 68 8.178 -11.834 -7.720 1.00 0.00 C ATOM 1040 O TYR A 68 9.269 -12.107 -7.216 1.00 0.00 O ATOM 1041 CB TYR A 68 6.151 -12.177 -6.281 1.00 0.00 C ATOM 1042 CG TYR A 68 5.629 -11.800 -4.908 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.152 -10.519 -4.647 1.00 0.00 C ATOM 1044 CD2 TYR A 68 5.606 -12.729 -3.875 1.00 0.00 C ATOM 1045 CE1 TYR A 68 4.671 -10.177 -3.398 1.00 0.00 C ATOM 1046 CE2 TYR A 68 5.123 -12.395 -2.624 1.00 0.00 C ATOM 1047 CZ TYR A 68 4.657 -11.118 -2.390 1.00 0.00 C ATOM 1048 OH TYR A 68 4.172 -10.782 -1.147 1.00 0.00 O ATOM 0 H TYR A 68 5.346 -10.374 -7.786 1.00 0.00 H new ATOM 0 HA TYR A 68 7.571 -10.579 -6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.305 -12.328 -6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.675 -13.130 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.158 -9.780 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.972 -13.729 -4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.308 -9.177 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.110 -13.130 -1.833 1.00 0.00 H new ATOM 0 HH TYR A 68 4.232 -11.558 -0.552 1.00 0.00 H new ATOM 1058 N GLU A 69 7.873 -12.106 -8.990 1.00 0.00 N ATOM 1059 CA GLU A 69 8.822 -12.755 -9.891 1.00 0.00 C ATOM 1060 C GLU A 69 9.719 -11.721 -10.577 1.00 0.00 C ATOM 1061 O GLU A 69 10.907 -11.966 -10.793 1.00 0.00 O ATOM 1062 CB GLU A 69 8.075 -13.577 -10.946 1.00 0.00 C ATOM 1063 CG GLU A 69 8.963 -14.570 -11.682 1.00 0.00 C ATOM 1064 CD GLU A 69 8.176 -15.642 -12.414 1.00 0.00 C ATOM 1065 OE1 GLU A 69 7.287 -15.287 -13.218 1.00 0.00 O ATOM 1066 OE2 GLU A 69 8.453 -16.839 -12.187 1.00 0.00 O ATOM 0 H GLU A 69 6.973 -11.886 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 69 9.451 -13.420 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.260 -14.118 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.623 -12.899 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.585 -14.032 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.636 -15.045 -10.968 1.00 0.00 H new ATOM 1073 N GLU A 70 9.139 -10.569 -10.922 1.00 0.00 N ATOM 1074 CA GLU A 70 9.880 -9.497 -11.594 1.00 0.00 C ATOM 1075 C GLU A 70 10.920 -8.859 -10.668 1.00 0.00 C ATOM 1076 O GLU A 70 12.034 -8.555 -11.099 1.00 0.00 O ATOM 1077 CB GLU A 70 8.916 -8.420 -12.103 1.00 0.00 C ATOM 1078 CG GLU A 70 8.250 -8.765 -13.428 1.00 0.00 C ATOM 1079 CD GLU A 70 7.218 -7.736 -13.853 1.00 0.00 C ATOM 1080 OE1 GLU A 70 7.547 -6.529 -13.869 1.00 0.00 O ATOM 1081 OE2 GLU A 70 6.079 -8.137 -14.172 1.00 0.00 O ATOM 0 H GLU A 70 8.157 -10.354 -10.747 1.00 0.00 H new ATOM 0 HA GLU A 70 10.406 -9.945 -12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.144 -8.253 -11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.460 -7.482 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.013 -8.849 -14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.771 -9.741 -13.346 1.00 0.00 H new ATOM 1088 N ALA A 71 10.552 -8.650 -9.403 1.00 0.00 N ATOM 1089 CA ALA A 71 11.459 -8.039 -8.434 1.00 0.00 C ATOM 1090 C ALA A 71 12.301 -9.092 -7.710 1.00 0.00 C ATOM 1091 O ALA A 71 13.520 -9.146 -7.883 1.00 0.00 O ATOM 1092 CB ALA A 71 10.678 -7.203 -7.434 1.00 0.00 C ATOM 0 H ALA A 71 9.635 -8.894 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 71 12.142 -7.389 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.367 -6.754 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.138 -6.416 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.968 -7.838 -6.905 1.00 0.00 H new ATOM 1098 N GLY A 72 11.644 -9.926 -6.898 1.00 0.00 N ATOM 1099 CA GLY A 72 12.348 -10.965 -6.160 1.00 0.00 C ATOM 1100 C GLY A 72 12.794 -10.512 -4.778 1.00 0.00 C ATOM 1101 O GLY A 72 13.957 -10.688 -4.408 1.00 0.00 O ATOM 0 H GLY A 72 10.637 -9.899 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.699 -11.835 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.220 -11.282 -6.732 1.00 0.00 H new ATOM 1105 N ILE A 73 11.866 -9.931 -4.014 1.00 0.00 N ATOM 1106 CA ILE A 73 12.165 -9.453 -2.663 1.00 0.00 C ATOM 1107 C ILE A 73 12.488 -10.618 -1.725 1.00 0.00 C ATOM 1108 O ILE A 73 11.902 -11.695 -1.835 1.00 0.00 O ATOM 1109 CB ILE A 73 10.992 -8.628 -2.077 1.00 0.00 C ATOM 1110 CG1 ILE A 73 11.356 -8.066 -0.698 1.00 0.00 C ATOM 1111 CG2 ILE A 73 9.720 -9.468 -2.002 1.00 0.00 C ATOM 1112 CD1 ILE A 73 12.386 -6.955 -0.751 1.00 0.00 C ATOM 0 H ILE A 73 10.901 -9.780 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 73 13.039 -8.806 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 73 10.803 -7.788 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.453 -7.691 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.737 -8.874 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.911 -8.867 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.447 -9.804 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.893 -10.334 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.596 -6.605 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.304 -7.331 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.000 -6.129 -1.348 1.00 0.00 H new ATOM 1124 N HIS A 74 13.424 -10.390 -0.806 1.00 0.00 N ATOM 1125 CA HIS A 74 13.828 -11.416 0.153 1.00 0.00 C ATOM 1126 C HIS A 74 12.847 -11.493 1.324 1.00 0.00 C ATOM 1127 O HIS A 74 12.129 -10.530 1.607 1.00 0.00 O ATOM 1128 CB HIS A 74 15.240 -11.131 0.673 1.00 0.00 C ATOM 1129 CG HIS A 74 16.321 -11.564 -0.269 1.00 0.00 C ATOM 1130 ND1 HIS A 74 16.978 -10.693 -1.114 1.00 0.00 N ATOM 1131 CD2 HIS A 74 16.863 -12.785 -0.494 1.00 0.00 C ATOM 1132 CE1 HIS A 74 17.874 -11.361 -1.820 1.00 0.00 C ATOM 1133 NE2 HIS A 74 17.825 -12.630 -1.462 1.00 0.00 N ATOM 0 H HIS A 74 13.917 -9.503 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 74 13.823 -12.377 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.340 -10.062 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.376 -11.638 1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 74 16.590 -13.708 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 74 18.534 -10.940 -2.564 1.00 0.00 H new ATOM 0 HE2 HIS A 74 18.408 -13.376 -1.843 1.00 0.00 H new ATOM 1142 N PRO A 75 12.802 -12.646 2.026 1.00 0.00 N ATOM 1143 CA PRO A 75 11.903 -12.843 3.171 1.00 0.00 C ATOM 1144 C PRO A 75 12.269 -11.955 4.360 1.00 0.00 C ATOM 1145 O PRO A 75 13.445 -11.822 4.705 1.00 0.00 O ATOM 1146 CB PRO A 75 12.092 -14.319 3.532 1.00 0.00 C ATOM 1147 CG PRO A 75 13.437 -14.674 2.998 1.00 0.00 C ATOM 1148 CD PRO A 75 13.621 -13.843 1.759 1.00 0.00 C ATOM 0 HA PRO A 75 10.874 -12.580 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.042 -14.472 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.314 -14.938 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.216 -14.462 3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.497 -15.738 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.668 -13.586 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.283 -14.371 0.867 1.00 0.00 H new ATOM 1156 N PRO A 76 11.260 -11.337 5.007 1.00 0.00 N ATOM 1157 CA PRO A 76 11.478 -10.461 6.165 1.00 0.00 C ATOM 1158 C PRO A 76 11.806 -11.249 7.435 1.00 0.00 C ATOM 1159 O PRO A 76 12.023 -12.461 7.384 1.00 0.00 O ATOM 1160 CB PRO A 76 10.136 -9.741 6.309 1.00 0.00 C ATOM 1161 CG PRO A 76 9.135 -10.701 5.766 1.00 0.00 C ATOM 1162 CD PRO A 76 9.829 -11.446 4.659 1.00 0.00 C ATOM 0 HA PRO A 76 12.326 -9.791 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.927 -9.497 7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.128 -8.803 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.792 -11.386 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.256 -10.177 5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.506 -12.486 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.619 -11.003 3.685 1.00 0.00 H new ATOM 1170 N GLU A 77 11.836 -10.554 8.572 1.00 0.00 N ATOM 1171 CA GLU A 77 12.130 -11.189 9.854 1.00 0.00 C ATOM 1172 C GLU A 77 10.894 -11.185 10.754 1.00 0.00 C ATOM 1173 O GLU A 77 10.671 -10.237 11.510 1.00 0.00 O ATOM 1174 CB GLU A 77 13.290 -10.472 10.547 1.00 0.00 C ATOM 1175 CG GLU A 77 14.658 -10.856 10.007 1.00 0.00 C ATOM 1176 CD GLU A 77 15.770 -10.584 11.001 1.00 0.00 C ATOM 1177 OE1 GLU A 77 15.980 -11.423 11.901 1.00 0.00 O ATOM 1178 OE2 GLU A 77 16.428 -9.529 10.881 1.00 0.00 O ATOM 0 H GLU A 77 11.660 -9.551 8.630 1.00 0.00 H new ATOM 0 HA GLU A 77 12.417 -12.224 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.156 -9.396 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.256 -10.692 11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.658 -11.914 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.852 -10.301 9.089 1.00 0.00 H new ATOM 1185 N PRO A 78 10.067 -12.249 10.674 1.00 0.00 N ATOM 1186 CA PRO A 78 8.840 -12.376 11.474 1.00 0.00 C ATOM 1187 C PRO A 78 9.084 -12.190 12.970 1.00 0.00 C ATOM 1188 O PRO A 78 9.545 -13.107 13.654 1.00 0.00 O ATOM 1189 CB PRO A 78 8.370 -13.804 11.185 1.00 0.00 C ATOM 1190 CG PRO A 78 8.940 -14.124 9.850 1.00 0.00 C ATOM 1191 CD PRO A 78 10.260 -13.409 9.784 1.00 0.00 C ATOM 0 HA PRO A 78 8.112 -11.608 11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.726 -14.500 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.282 -13.869 11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.072 -15.199 9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.276 -13.792 9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.078 -14.044 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.498 -13.099 8.767 1.00 0.00 H new ATOM 1199 N ILE A 79 8.764 -10.998 13.469 1.00 0.00 N ATOM 1200 CA ILE A 79 8.938 -10.685 14.888 1.00 0.00 C ATOM 1201 C ILE A 79 7.877 -9.698 15.384 1.00 0.00 C ATOM 1202 O ILE A 79 7.297 -9.892 16.454 1.00 0.00 O ATOM 1203 CB ILE A 79 10.348 -10.120 15.194 1.00 0.00 C ATOM 1204 CG1 ILE A 79 10.688 -8.953 14.260 1.00 0.00 C ATOM 1205 CG2 ILE A 79 11.400 -11.217 15.083 1.00 0.00 C ATOM 1206 CD1 ILE A 79 10.467 -7.592 14.885 1.00 0.00 C ATOM 0 H ILE A 79 8.383 -10.232 12.913 1.00 0.00 H new ATOM 0 HA ILE A 79 8.821 -11.629 15.420 1.00 0.00 H new ATOM 0 HB ILE A 79 10.346 -9.744 16.217 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.730 -9.037 13.952 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.081 -9.032 13.358 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.384 -10.801 15.301 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.175 -12.010 15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.395 -11.625 14.072 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.728 -6.815 14.167 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.420 -7.487 15.168 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.094 -7.492 15.771 1.00 0.00 H new ATOM 1218 N ALA A 80 7.630 -8.646 14.606 1.00 0.00 N ATOM 1219 CA ALA A 80 6.642 -7.631 14.966 1.00 0.00 C ATOM 1220 C ALA A 80 5.580 -7.497 13.880 1.00 0.00 C ATOM 1221 O ALA A 80 5.900 -7.234 12.719 1.00 0.00 O ATOM 1222 CB ALA A 80 7.326 -6.292 15.210 1.00 0.00 C ATOM 0 H ALA A 80 8.103 -8.474 13.719 1.00 0.00 H new ATOM 0 HA ALA A 80 6.148 -7.945 15.886 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.579 -5.545 15.477 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.045 -6.393 16.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.845 -5.978 14.304 1.00 0.00 H new ATOM 1228 N ALA A 81 4.317 -7.688 14.262 1.00 0.00 N ATOM 1229 CA ALA A 81 3.204 -7.597 13.318 1.00 0.00 C ATOM 1230 C ALA A 81 2.979 -6.157 12.859 1.00 0.00 C ATOM 1231 O ALA A 81 3.241 -5.822 11.703 1.00 0.00 O ATOM 1232 CB ALA A 81 1.934 -8.169 13.935 1.00 0.00 C ATOM 0 H ALA A 81 4.040 -7.907 15.219 1.00 0.00 H new ATOM 0 HA ALA A 81 3.461 -8.188 12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.116 -8.093 13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.095 -9.216 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.682 -7.608 14.835 1.00 0.00 H new ATOM 1238 N ALA A 82 2.492 -5.308 13.764 1.00 0.00 N ATOM 1239 CA ALA A 82 2.238 -3.911 13.436 1.00 0.00 C ATOM 1240 C ALA A 82 2.508 -3.006 14.634 1.00 0.00 C ATOM 1241 O ALA A 82 2.382 -3.430 15.785 1.00 0.00 O ATOM 1242 CB ALA A 82 0.810 -3.737 12.941 1.00 0.00 C ATOM 0 H ALA A 82 2.267 -5.565 14.725 1.00 0.00 H new ATOM 0 HA ALA A 82 2.922 -3.619 12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.634 -2.689 12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.657 -4.345 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.114 -4.052 13.719 1.00 0.00 H new ATOM 1248 N ALA A 83 2.885 -1.759 14.349 1.00 0.00 N ATOM 1249 CA ALA A 83 3.184 -0.778 15.389 1.00 0.00 C ATOM 1250 C ALA A 83 4.437 -1.162 16.175 1.00 0.00 C ATOM 1251 O ALA A 83 5.122 -2.134 15.849 1.00 0.00 O ATOM 1252 CB ALA A 83 1.995 -0.615 16.326 1.00 0.00 C ATOM 0 H ALA A 83 2.991 -1.404 13.399 1.00 0.00 H new ATOM 0 HA ALA A 83 3.378 0.177 14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.235 0.120 17.095 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.128 -0.276 15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.769 -1.572 16.797 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -1.746 12.657 5.178 1.00 0.00 ZN